# Number of dimensions 3 #INAME 1 H1 #INAME 2 N15 #INAME 3 H1 1 9.030 117.547 5.065 0 U 6.974e+03 0.00e+00 - 0 107 108 1367 0 # 8 VAL H 2 9.030 117.547 5.356 0 U 8.291e+02 0.00e+00 - 0 107 108 1364 0 # 8 VAL H 3 9.030 117.547 1.882 0 U 7.356e+02 0.00e+00 - 0 107 108 1395 0 # 8 VAL H 4 9.030 117.547 3.995 0 U 5.495e+02 0.00e+00 - 0 107 108 1396 0 # 8 VAL H 5 7.820 120.614 2.495 0 U 3.339e+03 0.00e+00 - 0 75 76 1417 0 # 51 GLU H 6 7.820 120.614 4.396 0 U 1.094e+03 0.00e+00 - 0 75 76 1369 0 # 51 GLU H 7 7.820 120.614 2.369 0 U 3.471e+03 0.00e+00 - 0 75 76 1571 0 # 51 GLU H 8 7.820 120.614 4.269 0 U 8.070e+02 0.00e+00 - 0 75 76 1352 0 # 51 GLU H 9 8.386 125.181 5.308 0 U 7.090e+03 0.00e+00 - 0 27 28 1335 0 # 33 ALA H 10 9.253 119.790 3.450 0 U 2.125e+03 0.00e+00 - 0 83 84 1413 0 # 48 ARG H 11 8.732 112.575 2.916 0 U 2.063e+03 0.00e+00 - 0 1658 1659 1401 0 # 12 ASN HD21 12 8.238 125.747 4.103 0 U 5.898e+03 0.00e+00 - 0 23 24 1334 0 # 59 LEU H 13 7.284 115.150 8.391 0 U 2.387e+03 0.00e+00 - 0 113 114 27 0 # 26 ARG H 14 8.324 121.128 1.478 0 U 7.185e+02 0.00e+00 - 0 61 62 1595 0 # 58 ILE H 15 7.284 115.150 2.183 0 U 8.952e+02 0.00e+00 - 0 113 114 1418 0 # 26 ARG H 16 7.284 115.150 9.656 0 U 4.682e+03 0.00e+00 - 0 113 114 9 0 # 26 ARG H 17 8.856 123.359 1.495 0 U 8.909e+02 0.00e+00 - 0 0 0 0 0 # 27 VAL H 18 8.306 124.982 1.718 0 U 2.772e+03 0.00e+00 - 0 31 32 1609 0 # 56 LYS H 19 8.324 121.128 1.812 0 U 2.905e+03 0.00e+00 - 0 61 62 1384 0 # 58 ILE H 20 8.856 123.359 1.743 0 U 1.952e+03 0.00e+00 - 0 41 42 1431 0 # 27 VAL H 21 9.233 125.003 3.754 0 U 8.100e+02 0.00e+00 - 0 29 30 1428 0 # 29 ASP H 22 7.782 122.579 3.564 0 U 5.971e+02 0.00e+00 - 0 43 44 1378 0 # 6 ALA H 23 8.386 125.181 4.824 0 U 1.093e+03 0.00e+00 - 0 0 0 0 0 # 33 ALA H 24 8.850 120.972 5.149 0 U 6.195e+03 0.00e+00 - 0 69 70 1351 0 # 37 GLU H 25 8.781 119.413 0.704 0 U 8.673e+02 0.00e+00 - 0 89 90 1514 0 # 28 SER H 26 8.781 119.413 4.556 0 U 1.833e+03 0.00e+00 - 0 89 90 1336 0 # 28 SER H 27 8.306 124.982 1.468 0 U 9.634e+02 0.00e+00 - 0 31 32 1611 0 # 56 LYS H 28 8.781 119.413 3.747 0 U 1.696e+03 0.00e+00 - 0 89 90 1428 0 # 28 SER H 29 9.233 125.003 4.327 0 U 4.108e+03 0.00e+00 - 0 29 30 1325 0 # 29 ASP H 30 8.781 119.413 8.088 0 U 8.452e+02 0.00e+00 - 0 89 90 63 0 # 28 SER H 31 8.324 121.128 1.170 0 U 8.452e+02 0.00e+00 - 0 61 62 1596 0 # 58 ILE H 32 8.834 104.177 0.876 0 U -8.189e+02 0.00e+00 - 0 1 2 1568 0 # 30 GLY H 33 7.980 119.401 5.035 0 U 1.827e+03 0.00e+00 - 0 91 92 1333 0 # 23 LEU H 34 8.834 104.177 4.759 0 U -1.679e+03 0.00e+00 - 0 0 0 0 0 # 30 GLY H 35 8.732 112.575 7.106 0 U 1.197e+04 0.00e+00 - 0 1658 1659 1660 0 # 12 ASN HD21 36 8.447 118.146 1.881 0 U 2.624e+03 0.00e+00 - 0 103 104 1449 0 # 21 GLU H 37 7.782 122.579 4.234 0 U 1.810e+03 0.00e+00 - 0 43 44 1363 0 # 6 ALA H 38 8.834 104.177 9.243 0 U -8.109e+02 0.00e+00 - 0 1 2 29 0 # 30 GLY H 39 8.306 124.982 4.212 0 U 6.042e+03 0.00e+00 - 0 31 32 1337 0 # 56 LYS H 40 8.324 121.128 4.095 0 U 1.491e+03 0.00e+00 - 0 61 62 1334 0 # 58 ILE H 41 8.088 120.994 0.861 0 U 9.890e+02 0.00e+00 - 0 63 64 1568 0 # 31 LYS H 42 8.383 120.157 4.949 0 U 4.511e+03 0.00e+00 - 0 81 82 1355 0 # 43 LYS H 43 7.544 117.348 4.612 0 U 2.128e+03 0.00e+00 - 0 109 110 1345 0 # 14 ASP H 44 7.948 123.758 0.932 0 U 5.530e+02 0.00e+00 - 0 37 38 1473 0 # 10 VAL H 45 7.932 121.388 3.245 0 U 7.206e+02 0.00e+00 - 0 1654 1655 1653 0 # 42 ASP H 46 8.271 127.381 4.347 0 U 7.783e+03 0.00e+00 - 0 13 14 1330 0 # 44 LEU H 47 9.275 120.936 1.071 0 U 3.415e+03 0.00e+00 - 0 67 68 1385 0 # 32 ALA H 48 7.980 119.401 3.404 0 U 3.761e+03 0.00e+00 - 0 91 92 1380 0 # 23 LEU H 49 7.948 123.758 4.314 0 U 6.954e+02 0.00e+00 - 0 37 38 1362 0 # 10 VAL H 50 9.253 119.790 4.671 0 U 9.179e+02 0.00e+00 - 0 83 84 1346 0 # 48 ARG H 51 9.275 120.936 8.909 0 U 1.364e+03 0.00e+00 - 0 67 68 39 0 # 32 ALA H 52 7.782 122.579 1.031 0 U 6.693e+03 0.00e+00 - 0 43 44 1394 0 # 6 ALA H 53 7.980 119.401 4.602 0 U 2.901e+03 0.00e+00 - 0 91 92 1377 0 # 23 LEU H 54 7.948 123.758 0.424 0 U 3.090e+03 0.00e+00 - 0 37 38 1475 0 # 10 VAL H 55 7.932 121.388 4.734 0 U 4.437e+03 0.00e+00 - 0 1654 1655 1646 0 # 42 ASP H 56 8.178 122.218 4.123 0 U 8.090e+03 0.00e+00 - 0 49 50 1344 0 # 46 THR H 57 9.150 125.985 5.035 0 U 7.227e+03 0.00e+00 - 0 21 22 1333 0 # 24 VAL H 58 6.705 119.138 2.916 0 U 3.892e+03 0.00e+00 - 0 95 96 1401 0 # 12 ASN H 59 8.178 122.218 5.211 0 U 1.861e+03 0.00e+00 - 0 49 50 1341 0 # 46 THR H 60 8.781 119.413 4.813 0 U 9.408e+03 0.00e+00 - 0 89 90 1359 0 # 28 SER H 61 7.932 121.388 4.940 0 U 1.202e+03 0.00e+00 - 0 1654 1655 1355 0 # 42 ASP H 62 7.390 111.776 6.642 0 U 1.868e+04 0.00e+00 - 0 1661 1662 1663 0 # 38 ASN HD21 63 9.253 119.790 2.398 0 U 1.557e+03 0.00e+00 - 0 83 84 1442 0 # 48 ARG H 64 7.544 117.348 2.796 0 U 1.696e+03 0.00e+00 - 0 109 110 1404 0 # 14 ASP H 65 8.447 118.146 2.660 0 U 1.561e+03 0.00e+00 - 0 103 104 1445 0 # 21 GLU H 66 9.010 119.053 4.314 0 U 5.472e+03 0.00e+00 - 0 97 98 1362 0 # 11 THR H 67 7.948 123.758 5.469 0 U 5.440e+03 0.00e+00 - 0 37 38 1340 0 # 10 VAL H 68 8.271 127.381 5.090 0 U 7.577e+02 0.00e+00 - 0 13 14 1326 0 # 44 LEU H 69 7.956 124.955 0.696 0 U 6.982e+03 0.00e+00 - 0 33 34 1480 0 # 13 VAL H 70 9.380 127.357 5.219 0 U 9.520e+02 0.00e+00 - 0 17 18 1341 0 # 34 VAL H 71 7.956 124.955 2.916 0 U 5.402e+02 0.00e+00 - 0 33 34 1401 0 # 13 VAL H 72 8.654 127.433 -0.087 0 U 2.353e+03 0.00e+00 - 0 11 12 1527 0 # 35 LEU H 73 7.932 121.388 2.559 0 U 1.006e+03 0.00e+00 - 0 1654 1655 1538 0 # 42 ASP H 74 6.737 122.170 1.671 0 U 6.462e+02 0.00e+00 - 0 51 52 1626 0 # 3 PHE H 75 7.544 117.348 1.637 0 U 4.876e+02 0.00e+00 - 0 109 110 1397 0 # 14 ASP H 76 8.447 118.146 4.378 0 U 6.331e+03 0.00e+00 - 0 103 104 1365 0 # 21 GLU H 77 7.956 124.955 1.637 0 U 2.321e+03 0.00e+00 - 0 33 34 1397 0 # 13 VAL H 78 7.948 123.758 1.513 0 U 5.217e+02 0.00e+00 - 0 37 38 1430 0 # 10 VAL H 79 7.956 124.955 2.231 0 U 1.634e+03 0.00e+00 - 0 33 34 1368 0 # 13 VAL H 80 8.654 127.433 1.843 0 U 3.347e+03 0.00e+00 - 0 11 12 1400 0 # 35 LEU H 81 8.228 121.370 4.330 0 U 4.998e+03 0.00e+00 - 0 59 60 1347 0 # 60 GLU H 82 7.948 123.758 2.465 0 U 2.724e+03 0.00e+00 - 0 37 38 1393 0 # 10 VAL H 83 6.737 122.170 3.812 0 U 7.965e+03 0.00e+00 - 0 51 52 1623 0 # 3 PHE H 84 7.544 117.348 2.245 0 U 7.628e+02 0.00e+00 - 0 109 110 1368 0 # 14 ASP H 85 8.447 118.146 3.388 0 U 6.452e+02 0.00e+00 - 0 103 104 1415 0 # 21 GLU H 86 8.228 121.370 1.847 0 U 3.435e+03 0.00e+00 - 0 59 60 1443 0 # 60 GLU H 87 9.276 128.444 0.749 0 U 1.627e+03 0.00e+00 - 0 0 0 0 0 # 36 PHE H 88 8.530 117.786 2.130 0 U 7.165e+02 0.00e+00 - 0 105 106 1580 0 # 53 GLU H 89 8.271 127.381 1.659 0 U 3.070e+03 0.00e+00 - 0 0 0 0 0 # 44 LEU H 90 9.276 128.444 0.640 0 U 6.904e+02 0.00e+00 - 0 7 8 1551 0 # 36 PHE H 91 8.621 121.824 4.007 0 U 1.196e+03 0.00e+00 - 0 1656 1657 1617 0 # 40 ASN H 92 9.053 128.928 4.123 0 U 1.189e+03 0.00e+00 - 0 5 6 1344 0 # 45 VAL H 93 8.530 117.786 0.887 0 U 1.124e+03 0.00e+00 - 0 105 106 1446 0 # 53 GLU H 94 6.737 122.170 5.032 0 U 1.354e+03 0.00e+00 - 0 51 52 1619 0 # 3 PHE H 95 7.544 117.348 2.459 0 U 3.869e+03 0.00e+00 - 0 109 110 1433 0 # 14 ASP H 96 8.447 118.146 2.285 0 U 1.302e+03 0.00e+00 - 0 103 104 1492 0 # 21 GLU H 97 9.010 119.053 4.525 0 U 1.272e+03 0.00e+00 - 0 97 98 1361 0 # 11 THR H 98 8.228 121.370 4.178 0 U 1.376e+03 0.00e+00 - 0 59 60 1358 0 # 60 GLU H 99 9.053 128.928 5.090 0 U 6.315e+03 0.00e+00 - 0 5 6 1326 0 # 45 VAL H 100 8.530 117.786 5.287 0 U 5.930e+03 0.00e+00 - 0 105 106 1366 0 # 53 GLU H 101 8.837 108.959 1.859 0 U 1.332e+03 0.00e+00 - 0 139 140 1449 0 # 22 GLY H 102 6.737 122.170 0.795 0 U 6.261e+02 0.00e+00 - 0 0 0 0 0 # 3 PHE H 103 8.850 120.972 2.023 0 U 2.327e+03 0.00e+00 - 0 69 70 1437 0 # 37 GLU H 104 9.018 113.008 0.548 0 U 1.125e+03 0.00e+00 - 0 115 116 1504 0 # 5 GLY H 105 8.850 120.972 7.170 0 U 9.847e+02 0.00e+00 - 0 69 70 1694 0 # 37 GLU H 106 8.837 108.959 3.404 0 U 1.242e+03 0.00e+00 - 0 139 140 1380 0 # 22 GLY H 107 9.018 113.008 0.789 0 U 8.070e+02 0.00e+00 - 0 0 0 0 0 # 5 GLY H 108 7.553 120.582 2.703 0 U 5.014e+03 0.00e+00 - 0 77 78 1444 0 # 18 TYR H 109 8.447 118.146 5.803 0 U 1.619e+03 0.00e+00 - 0 103 104 1373 0 # 21 GLU H 110 9.010 119.053 1.049 0 U 1.690e+03 0.00e+00 - 0 97 98 1477 0 # 11 THR H 111 8.654 127.433 1.078 0 U 1.551e+03 0.00e+00 - 0 11 12 1424 0 # 35 LEU H 112 9.053 128.928 1.695 0 U 2.026e+03 0.00e+00 - 0 5 6 1388 0 # 45 VAL H 113 8.530 117.786 4.623 0 U 1.627e+03 0.00e+00 - 0 105 106 1332 0 # 53 GLU H 114 8.837 108.959 4.602 0 U 1.012e+03 0.00e+00 - 0 139 140 1377 0 # 22 GLY H 115 9.018 113.008 4.401 0 U 7.427e+02 0.00e+00 - 0 0 0 0 0 # 5 GLY H 116 8.751 120.983 2.246 0 U 4.535e+02 0.00e+00 - 0 65 66 1535 0 # 38 ASN H 117 9.018 113.008 7.100 0 U 4.983e+02 0.00e+00 - 0 0 0 0 0 # 5 GLY H 118 9.053 128.928 0.646 0 U 2.321e+03 0.00e+00 - 0 0 0 0 0 # 45 VAL H 119 9.018 113.008 7.787 0 U 2.003e+03 0.00e+00 - 0 115 116 43 0 # 5 GLY H 120 8.751 120.983 4.836 0 U 6.299e+03 0.00e+00 - 0 0 0 0 0 # 38 ASN H 121 7.782 122.579 0.543 0 U 8.381e+02 0.00e+00 - 0 43 44 1504 0 # 6 ALA H 122 8.751 120.983 7.505 0 U 9.478e+02 0.00e+00 - 0 65 66 1707 0 # 38 ASN H 123 8.837 108.959 5.803 0 U 5.761e+03 0.00e+00 - 0 139 140 1373 0 # 22 GLY H 124 7.782 122.579 0.775 0 U 1.246e+03 0.00e+00 - 0 0 0 0 0 # 6 ALA H 125 7.390 111.776 2.742 0 U 1.125e+03 0.00e+00 - 0 0 0 0 0 # 38 ASN HD21 126 6.586 112.986 7.092 0 U 2.169e+04 0.00e+00 - 0 1667 1668 1669 0 # 25 GLN HE21 127 9.053 128.928 1.281 0 U 1.288e+03 0.00e+00 - 0 5 6 1547 0 # 45 VAL H 128 9.018 113.008 4.515 0 U 1.807e+03 0.00e+00 - 0 115 116 1375 0 # 5 GLY H 129 7.782 122.579 3.852 0 U 1.148e+03 0.00e+00 - 0 43 44 1371 0 # 6 ALA H 130 7.553 120.582 3.829 0 U 4.364e+03 0.00e+00 - 0 77 78 1414 0 # 18 TYR H 131 7.971 120.597 3.245 0 U 1.535e+03 0.00e+00 - 0 71 72 1653 0 # 41 TRP H 132 7.782 122.579 4.546 0 U 7.276e+02 0.00e+00 - 0 43 44 1375 0 # 6 ALA H 133 6.642 111.776 7.821 0 U 8.130e+02 0.00e+00 - 0 0 0 0 0 # 38 ASN HD22 134 8.450 119.627 4.178 0 U 1.471e+03 0.00e+00 - 0 87 88 1358 0 # 61 HIS H 135 7.782 122.579 9.016 0 U 3.074e+03 0.00e+00 - 0 43 44 115 0 # 6 ALA H 136 8.621 121.824 2.630 0 U 4.324e+02 0.00e+00 - 0 1656 1657 1650 0 # 40 ASN H 137 9.030 117.547 0.548 0 U 4.949e+03 0.00e+00 - 0 0 0 0 0 # 8 VAL H 138 7.106 112.575 2.916 0 U 1.184e+03 0.00e+00 - 0 1660 1659 1401 0 # 12 ASN HD22 139 10.159 129.361 7.463 0 U 1.414e+03 0.00e+00 - 0 1680 1681 1682 0 # 41 TRP HE1 140 9.030 117.547 1.131 0 U 2.174e+03 0.00e+00 - 0 107 108 1460 0 # 8 VAL H 141 8.621 121.824 7.987 0 U 6.281e+02 0.00e+00 - 0 1656 1657 71 0 # 40 ASN H 142 8.921 118.296 0.564 0 U 1.457e+03 0.00e+00 - 0 0 0 0 0 # 9 ARG H 143 7.106 112.575 8.732 0 U 1.584e+04 0.00e+00 - 0 1660 1659 1658 0 # 12 ASN HD22 144 8.921 118.296 0.666 0 U 1.027e+03 0.00e+00 - 0 101 102 1584 0 # 9 ARG H 145 9.150 125.985 2.196 0 U 3.319e+03 0.00e+00 - 0 21 22 1381 0 # 24 VAL H 146 8.921 118.296 1.335 0 U 8.713e+02 0.00e+00 - 0 0 0 0 0 # 9 ARG H 147 8.069 121.403 2.134 0 U 7.969e+02 0.00e+00 - 0 57 58 1405 0 # 49 LEU H 148 9.648 128.129 3.823 0 U 6.291e+03 0.00e+00 - 0 9 10 1328 0 # 25 GLN H 149 8.921 118.296 1.559 0 U 1.986e+03 0.00e+00 - 0 0 0 0 0 # 9 ARG H 150 8.383 120.157 0.748 0 U 1.483e+03 0.00e+00 - 0 81 82 1532 0 # 43 LYS H 151 8.921 118.296 2.119 0 U 9.108e+02 0.00e+00 - 0 101 102 1580 0 # 9 ARG H 152 8.383 120.157 1.557 0 U 1.189e+03 0.00e+00 - 0 81 82 1425 0 # 43 LYS H 153 7.668 121.775 2.579 0 U 3.254e+03 0.00e+00 - 0 55 56 1429 0 # 15 ASP H 154 8.921 118.296 8.538 0 U 2.125e+03 0.00e+00 - 0 101 102 105 0 # 9 ARG H 155 8.383 120.157 1.639 0 U 1.002e+03 0.00e+00 - 0 81 82 1539 0 # 43 LYS H 156 7.948 123.758 1.328 0 U 9.805e+02 0.00e+00 - 0 0 0 0 0 # 10 VAL H 157 8.856 123.359 0.693 0 U 1.844e+03 0.00e+00 - 0 41 42 1514 0 # 27 VAL H 158 10.159 129.361 7.312 0 U 3.534e+03 0.00e+00 - 0 1680 1681 1678 0 # 41 TRP HE1 159 8.228 121.370 8.876 0 U 7.969e+02 0.00e+00 - 0 0 0 0 0 # 60 GLU H 160 9.010 119.053 0.294 0 U 6.291e+02 0.00e+00 - 0 97 98 1577 0 # 11 THR H 161 8.383 120.157 9.272 0 U 1.209e+03 0.00e+00 - 0 81 82 7 0 # 43 LYS H 162 8.228 121.370 1.509 0 U 7.748e+02 0.00e+00 - 0 0 0 0 0 # 60 GLU H 163 8.228 121.370 0.859 0 U 6.683e+02 0.00e+00 - 0 0 0 0 0 # 60 GLU H 164 6.890 112.187 7.448 0 U 2.722e+04 0.00e+00 - 0 1666 1665 1664 0 # 40 ASN HD22 165 8.856 123.359 4.517 0 U 7.954e+03 0.00e+00 - 0 41 42 1342 0 # 27 VAL H 166 8.238 125.747 3.800 0 U 9.137e+02 0.00e+00 - 0 0 0 0 0 # 59 LEU H 167 7.668 121.775 2.732 0 U 3.339e+03 0.00e+00 - 0 55 56 1481 0 # 15 ASP H 168 9.010 119.053 5.294 0 U 1.073e+03 0.00e+00 - 0 97 98 1366 0 # 11 THR H 169 8.271 127.381 1.273 0 U 2.487e+03 0.00e+00 - 0 0 0 0 0 # 44 LEU H 170 8.837 108.959 9.019 0 U 2.595e+03 0.00e+00 - 0 139 140 107 0 # 22 GLY H 171 9.648 128.129 2.204 0 U 2.421e+03 0.00e+00 - 0 0 0 0 0 # 25 GLN H 172 9.010 119.053 6.714 0 U 2.764e+03 0.00e+00 - 0 97 98 95 0 # 11 THR H 173 8.856 123.359 4.813 0 U 1.423e+03 0.00e+00 - 0 41 42 1359 0 # 27 VAL H 174 9.648 128.129 4.417 0 U 1.123e+03 0.00e+00 - 0 9 10 1370 0 # 25 GLN H 175 8.924 122.532 8.444 0 U 1.067e+03 0.00e+00 - 0 47 48 93 0 # 20 PHE H 176 7.355 83.825 3.061 0 U -1.267e+03 0.00e+00 - 0 0 0 0 0 # 9 ARG HE 177 9.053 128.928 4.808 0 U 5.708e+02 0.00e+00 - 0 5 6 1327 0 # 45 VAL H 178 7.971 120.597 3.477 0 U 1.724e+03 0.00e+00 - 0 71 72 1652 0 # 41 TRP H 179 8.324 121.128 2.299 0 U 6.763e+02 0.00e+00 - 0 61 62 1436 0 # 58 ILE H 180 6.705 119.138 0.931 0 U 3.636e+03 0.00e+00 - 0 95 96 1473 0 # 12 ASN H 181 9.053 128.928 6.483 0 U 4.826e+02 0.00e+00 - 0 5 6 1677 0 # 45 VAL H 182 7.668 121.775 3.834 0 U 1.188e+03 0.00e+00 - 0 55 56 1414 0 # 15 ASP H 183 8.306 124.982 6.718 0 U 5.807e+02 0.00e+00 - 0 0 0 0 0 # 56 LYS H 184 6.705 119.138 4.345 0 U 9.194e+02 0.00e+00 - 0 95 96 1362 0 # 12 ASN H 185 9.053 128.928 7.402 0 U 7.587e+02 0.00e+00 - 0 5 6 1709 0 # 45 VAL H 186 6.586 112.986 9.612 0 U 4.976e+02 0.00e+00 - 0 1667 1668 9 0 # 25 GLN HE21 187 7.858 108.609 4.269 0 U 1.767e+03 0.00e+00 - 0 141 142 1352 0 # 50 SER H 188 6.705 119.138 4.777 0 U 1.402e+03 0.00e+00 - 0 95 96 1338 0 # 12 ASN H 189 8.856 123.359 1.926 0 U 2.438e+03 0.00e+00 - 0 41 42 1391 0 # 27 VAL H 190 8.528 118.546 5.065 0 U 1.017e+03 0.00e+00 - 0 99 100 1367 0 # 7 THR H 191 8.383 120.157 4.347 0 U 1.861e+03 0.00e+00 - 0 81 82 1330 0 # 43 LYS H 192 6.705 119.138 4.529 0 U 9.876e+02 0.00e+00 - 0 0 0 0 0 # 12 ASN H 193 7.553 120.582 9.797 0 U 2.031e+03 0.00e+00 - 0 77 78 85 0 # 18 TYR H 194 7.284 115.150 4.509 0 U 2.145e+03 0.00e+00 - 0 113 114 1342 0 # 26 ARG H 195 8.856 123.359 7.271 0 U 5.751e+02 0.00e+00 - 0 41 42 113 0 # 27 VAL H 196 8.386 125.181 1.209 0 U 3.367e+03 0.00e+00 - 0 27 28 1383 0 # 33 ALA H 197 8.178 122.218 4.795 0 U 4.791e+02 0.00e+00 - 0 49 50 1331 0 # 46 THR H 198 8.528 118.546 4.234 0 U 6.822e+03 0.00e+00 - 0 99 100 1363 0 # 7 THR H 199 8.910 123.683 3.789 0 U 7.246e+02 0.00e+00 - 0 39 40 1387 0 # 47 PHE H 200 8.732 112.575 2.367 0 U 6.462e+02 0.00e+00 - 0 1658 1659 1571 0 # 12 ASN HD21 201 9.150 125.985 0.536 0 U 1.447e+03 0.00e+00 - 0 21 22 1464 0 # 24 VAL H 202 8.779 126.778 4.631 0 U 8.181e+03 0.00e+00 - 0 0 0 0 0 # 54 ALA H 203 8.088 120.994 1.569 0 U 1.342e+03 0.00e+00 - 0 63 64 1409 0 # 31 LYS H 204 8.732 112.575 2.479 0 U 6.134e+02 0.00e+00 - 0 1658 1659 1417 0 # 12 ASN HD21 205 8.069 121.403 0.865 0 U 8.221e+02 0.00e+00 - 0 57 58 1568 0 # 49 LEU H 206 7.448 112.187 2.617 0 U 1.521e+03 0.00e+00 - 0 1664 1665 1650 0 # 40 ASN HD21 207 8.910 123.683 4.856 0 U 1.807e+03 0.00e+00 - 0 39 40 1356 0 # 47 PHE H 208 7.106 112.575 2.384 0 U 7.065e+02 0.00e+00 - 0 1660 1659 1571 0 # 12 ASN HD22 209 8.910 123.683 1.016 0 U 1.983e+03 0.00e+00 - 0 39 40 1557 0 # 47 PHE H 210 8.088 120.994 8.809 0 U 3.134e+03 0.00e+00 - 0 63 64 1 0 # 31 LYS H 211 8.779 126.778 0.665 0 U 6.984e+02 0.00e+00 - 0 19 20 1633 0 # 54 ALA H 212 6.642 111.776 7.390 0 U 2.153e+04 0.00e+00 - 0 1663 1662 1661 0 # 38 ASN HD22 213 8.910 123.683 1.591 0 U 6.663e+02 0.00e+00 - 0 0 0 0 0 # 47 PHE H 214 8.528 118.546 1.031 0 U 2.595e+03 0.00e+00 - 0 99 100 1394 0 # 7 THR H 215 8.386 125.181 0.545 0 U 5.978e+02 0.00e+00 - 0 27 28 1504 0 # 33 ALA H 216 7.956 124.955 7.554 0 U 1.551e+03 0.00e+00 - 0 33 34 109 0 # 13 VAL H 217 8.910 123.683 9.278 0 U 1.844e+03 0.00e+00 - 0 39 40 67 0 # 47 PHE H 218 8.530 117.786 8.918 0 U 2.933e+03 0.00e+00 - 0 105 106 101 0 # 53 GLU H 219 8.654 127.433 0.598 0 U 5.345e+02 0.00e+00 - 0 11 12 1551 0 # 35 LEU H 220 7.956 124.955 6.740 0 U 6.552e+02 0.00e+00 - 0 33 34 1673 0 # 13 VAL H 221 9.253 119.790 9.433 0 U 1.770e+03 0.00e+00 - 0 0 0 0 0 # 48 ARG H 222 8.654 127.433 2.219 0 U 9.748e+02 0.00e+00 - 0 11 12 1506 0 # 35 LEU H 223 8.910 123.683 5.211 0 U 6.990e+03 0.00e+00 - 0 39 40 1341 0 # 47 PHE H 224 6.825 84.625 2.818 0 U -8.290e+02 0.00e+00 - 0 1716 1717 1490 0 # 19 ARG HE 225 9.253 119.790 1.867 0 U 3.909e+03 0.00e+00 - 0 0 0 0 0 # 48 ARG H 226 9.276 128.444 1.248 0 U 7.527e+02 0.00e+00 - 0 7 8 1529 0 # 36 PHE H 227 7.301 116.595 7.820 0 U 3.687e+03 0.00e+00 - 0 111 112 75 0 # 52 LEU H 228 7.544 117.348 7.951 0 U 2.925e+03 0.00e+00 - 0 109 110 33 0 # 14 ASP H 229 7.301 116.595 4.396 0 U 7.999e+02 0.00e+00 - 0 111 112 1369 0 # 52 LEU H 230 8.528 118.546 3.995 0 U 3.331e+03 0.00e+00 - 0 99 100 1396 0 # 7 THR H 231 8.910 123.683 2.398 0 U 1.362e+03 0.00e+00 - 0 39 40 1442 0 # 47 PHE H 232 7.544 117.348 7.677 0 U 3.363e+03 0.00e+00 - 0 109 110 55 0 # 14 ASP H 233 8.069 121.403 5.152 0 U 2.193e+03 0.00e+00 - 0 57 58 1350 0 # 49 LEU H 234 8.850 120.972 7.265 0 U 7.628e+02 0.00e+00 - 0 0 0 0 0 # 37 GLU H 235 7.301 116.595 0.666 0 U 4.841e+02 0.00e+00 - 0 111 112 1576 0 # 52 LEU H 236 7.858 108.609 4.105 0 U 9.435e+02 0.00e+00 - 0 141 142 1411 0 # 50 SER H 237 7.301 116.595 0.887 0 U 9.520e+02 0.00e+00 - 0 111 112 1446 0 # 52 LEU H 238 9.275 120.936 1.757 0 U 6.049e+02 0.00e+00 - 0 67 68 1438 0 # 32 ALA H 239 7.390 111.776 4.767 0 U 4.699e+02 0.00e+00 - 0 0 0 0 0 # 38 ASN HD21 240 6.825 84.625 0.238 0 U -5.583e+02 0.00e+00 - 0 1716 1717 1487 0 # 19 ARG HE 241 8.069 121.403 9.275 0 U 7.135e+02 0.00e+00 - 0 0 0 0 0 # 49 LEU H 242 8.621 121.824 2.754 0 U 4.691e+02 0.00e+00 - 0 1656 1657 1651 0 # 40 ASN H 243 7.971 120.597 8.639 0 U 1.036e+03 0.00e+00 - 0 71 72 1656 0 # 41 TRP H 244 7.668 121.775 4.677 0 U 2.100e+03 0.00e+00 - 0 55 56 1339 0 # 15 ASP H 245 7.301 116.595 5.287 0 U 9.108e+02 0.00e+00 - 0 111 112 1366 0 # 52 LEU H 246 9.275 120.936 5.148 0 U 5.986e+03 0.00e+00 - 0 67 68 1350 0 # 32 ALA H 247 8.910 123.683 7.180 0 U 1.350e+03 0.00e+00 - 0 39 40 1700 0 # 47 PHE H 249 8.069 121.403 8.255 0 U 2.196e+03 0.00e+00 - 0 0 0 0 0 # 49 LEU H 250 7.820 120.614 1.616 0 U 5.203e+02 0.00e+00 - 0 75 76 1573 0 # 51 GLU H 251 8.178 122.218 1.005 0 U 5.139e+02 0.00e+00 - 0 49 50 1557 0 # 46 THR H 252 8.588 124.360 4.711 0 U 5.986e+03 0.00e+00 - 0 35 36 1339 0 # 16 THR H 253 7.301 116.595 1.757 0 U 2.989e+03 0.00e+00 - 0 111 112 1416 0 # 52 LEU H 254 9.275 120.936 5.308 0 U 1.427e+03 0.00e+00 - 0 67 68 1335 0 # 32 ALA H 255 8.910 123.683 0.721 0 U 5.466e+02 0.00e+00 - 0 0 0 0 0 # 47 PHE H 256 8.588 124.360 6.402 0 U 4.834e+02 0.00e+00 - 0 35 36 1674 0 # 16 THR H 257 7.858 108.609 2.148 0 U 2.227e+03 0.00e+00 - 0 141 142 1405 0 # 50 SER H 258 7.971 120.597 2.760 0 U 5.950e+02 0.00e+00 - 0 71 72 1651 0 # 41 TRP H 259 7.858 108.609 4.762 0 U 1.022e+03 0.00e+00 - 0 0 0 0 0 # 50 SER H 260 8.588 124.360 9.799 0 U 8.881e+02 0.00e+00 - 0 35 36 85 0 # 16 THR H 261 7.858 108.609 1.827 0 U 1.648e+03 0.00e+00 - 0 141 142 1434 0 # 50 SER H 262 7.858 108.609 1.742 0 U 2.085e+03 0.00e+00 - 0 141 142 1421 0 # 50 SER H 263 8.069 121.403 10.665 0 U 6.693e+02 0.00e+00 - 0 0 0 0 0 # 49 LEU H 264 8.850 120.972 4.838 0 U 1.288e+03 0.00e+00 - 0 69 70 1349 0 # 37 GLU H 265 9.150 125.985 0.789 0 U 5.078e+03 0.00e+00 - 0 0 0 0 0 # 24 VAL H 266 8.069 121.403 7.858 0 U 1.690e+03 0.00e+00 - 0 57 58 141 0 # 49 LEU H 267 8.069 121.403 1.737 0 U 4.369e+03 0.00e+00 - 0 57 58 1421 0 # 49 LEU H 268 8.852 112.983 4.007 0 U 1.097e+03 0.00e+00 - 0 121 122 1617 0 # 39 GLY H 269 7.858 108.609 3.864 0 U 2.370e+03 0.00e+00 - 0 141 142 1440 0 # 50 SER H 270 9.275 120.936 1.569 0 U 2.469e+03 0.00e+00 - 0 67 68 1409 0 # 32 ALA H 271 8.178 122.218 6.478 0 U 5.303e+02 0.00e+00 - 0 0 0 0 0 # 46 THR H 272 9.797 119.764 8.597 0 U 5.623e+02 0.00e+00 - 0 85 86 35 0 # 17 TYR H 273 7.858 108.609 8.063 0 U 2.435e+03 0.00e+00 - 0 141 142 57 0 # 50 SER H 274 8.178 122.218 0.396 0 U 4.102e+03 0.00e+00 - 0 49 50 1554 0 # 46 THR H 275 8.271 127.381 6.135 0 U 6.077e+02 0.00e+00 - 0 0 0 0 0 # 44 LEU H 276 7.553 120.582 0.924 0 U 6.934e+02 0.00e+00 - 0 77 78 1473 0 # 18 TYR H 277 7.301 116.595 1.613 0 U 2.256e+03 0.00e+00 - 0 111 112 1573 0 # 52 LEU H 278 8.271 127.381 0.682 0 U 5.111e+02 0.00e+00 - 0 0 0 0 0 # 44 LEU H 279 8.383 120.157 2.582 0 U 1.268e+03 0.00e+00 - 0 0 0 0 0 # 43 LYS H 280 7.553 120.582 3.964 0 U 3.246e+03 0.00e+00 - 0 77 78 1353 0 # 18 TYR H 281 7.820 120.614 1.818 0 U 8.663e+02 0.00e+00 - 0 75 76 1434 0 # 51 GLU H 282 7.971 120.597 4.740 0 U 2.330e+03 0.00e+00 - 0 0 0 0 0 # 41 TRP H 283 8.621 121.824 9.561 0 U 5.729e+02 0.00e+00 - 0 0 0 0 0 # 40 ASN H 284 8.852 112.983 2.693 0 U 5.061e+02 0.00e+00 - 0 121 122 1448 0 # 39 GLY H 285 7.820 120.614 4.788 0 U 5.338e+02 0.00e+00 - 0 0 0 0 0 # 51 GLU H 286 6.642 111.776 2.731 0 U 1.010e+03 0.00e+00 - 0 0 0 0 0 # 38 ASN HD22 287 9.276 128.444 4.786 0 U 6.171e+03 0.00e+00 - 0 7 8 1327 0 # 36 PHE H 288 8.454 119.027 0.932 0 U 7.527e+02 0.00e+00 - 0 93 94 1473 0 # 19 ARG H 289 7.820 120.614 7.301 0 U 3.343e+03 0.00e+00 - 0 75 76 111 0 # 51 GLU H 290 8.751 120.983 2.732 0 U 1.221e+03 0.00e+00 - 0 0 0 0 0 # 38 ASN H 291 9.380 127.357 1.224 0 U 9.535e+02 0.00e+00 - 0 17 18 1383 0 # 34 VAL H 292 8.852 112.983 3.713 0 U 2.527e+03 0.00e+00 - 0 121 122 1616 0 # 39 GLY H 293 8.289 120.191 1.329 0 U 1.824e+03 0.00e+00 - 0 79 80 1389 0 # 55 VAL H 294 8.779 126.778 1.329 0 U 5.375e+03 0.00e+00 - 0 19 20 1389 0 # 54 ALA H 295 8.751 120.983 2.070 0 U 4.841e+02 0.00e+00 - 0 65 66 1408 0 # 38 ASN H 296 8.454 119.027 6.921 0 U 1.567e+03 0.00e+00 - 0 93 94 1670 0 # 19 ARG H 297 7.301 116.595 2.527 0 U 1.117e+03 0.00e+00 - 0 111 112 1417 0 # 52 LEU H 298 9.276 128.444 8.392 0 U 6.653e+02 0.00e+00 - 0 7 8 81 0 # 36 PHE H 299 9.276 128.444 5.131 0 U 1.298e+03 0.00e+00 - 0 0 0 0 0 # 36 PHE H 300 9.797 119.764 2.814 0 U 2.748e+03 0.00e+00 - 0 85 86 1441 0 # 17 TYR H 301 8.289 120.191 1.891 0 U 2.242e+03 0.00e+00 - 0 79 80 1386 0 # 55 VAL H 302 7.448 112.187 2.760 0 U 9.208e+02 0.00e+00 - 0 1664 1665 1651 0 # 40 ASN HD21 303 9.253 119.790 1.708 0 U 9.989e+02 0.00e+00 - 0 83 84 1560 0 # 48 ARG H 304 8.924 122.532 2.482 0 U 9.051e+02 0.00e+00 - 0 47 48 1393 0 # 20 PHE H 305 7.301 116.595 8.519 0 U 6.141e+02 0.00e+00 - 0 0 0 0 0 # 52 LEU H 306 8.654 127.433 7.993 0 U 1.073e+03 0.00e+00 - 0 11 12 91 0 # 35 LEU H 307 9.380 127.357 4.137 0 U 1.738e+03 0.00e+00 - 0 17 18 1329 0 # 34 VAL H 308 9.797 119.764 3.917 0 U 8.412e+02 0.00e+00 - 0 85 86 1353 0 # 17 TYR H 309 8.530 117.786 0.297 0 U 5.580e+02 0.00e+00 - 0 105 106 1577 0 # 53 GLU H 310 8.654 127.433 0.750 0 U 1.585e+03 0.00e+00 - 0 0 0 0 0 # 35 LEU H 311 9.276 128.444 2.884 0 U 1.652e+03 0.00e+00 - 0 7 8 1439 0 # 36 PHE H 312 8.837 108.959 -0.090 0 U 5.068e+02 0.00e+00 - 0 139 140 1527 0 # 22 GLY H 313 8.530 117.786 1.856 0 U 2.424e+03 0.00e+00 - 0 0 0 0 0 # 53 GLU H 314 8.386 125.181 7.285 0 U 9.677e+02 0.00e+00 - 0 27 28 113 0 # 33 ALA H 315 8.386 125.181 1.754 0 U 6.753e+02 0.00e+00 - 0 27 28 1431 0 # 33 ALA H 316 9.797 119.764 7.561 0 U 1.640e+03 0.00e+00 - 0 85 86 77 0 # 17 TYR H 317 8.289 120.191 4.212 0 U 1.915e+03 0.00e+00 - 0 79 80 1337 0 # 55 VAL H 318 8.386 125.181 1.514 0 U 4.883e+02 0.00e+00 - 0 27 28 1508 0 # 33 ALA H 319 8.386 125.181 0.705 0 U 7.678e+02 0.00e+00 - 0 0 0 0 0 # 33 ALA H 320 8.837 108.959 1.135 0 U 9.733e+02 0.00e+00 - 0 139 140 1460 0 # 22 GLY H 321 8.779 126.778 0.576 0 U 8.938e+02 0.00e+00 - 0 19 20 1463 0 # 54 ALA H 322 9.275 120.936 4.657 0 U 7.567e+02 0.00e+00 - 0 67 68 1346 0 # 32 ALA H 323 9.380 127.357 0.737 0 U 2.378e+03 0.00e+00 - 0 17 18 1526 0 # 34 VAL H 324 8.386 125.181 1.081 0 U 1.740e+03 0.00e+00 - 0 27 28 1385 0 # 33 ALA H 325 8.289 120.191 0.671 0 U 3.511e+03 0.00e+00 - 0 79 80 1584 0 # 55 VAL H 326 8.779 126.778 1.913 0 U 9.961e+02 0.00e+00 - 0 19 20 1578 0 # 54 ALA H 327 9.275 120.936 0.707 0 U 9.790e+02 0.00e+00 - 0 0 0 0 0 # 32 ALA H 328 8.850 120.972 2.249 0 U 1.549e+03 0.00e+00 - 0 69 70 1535 0 # 37 GLU H 329 8.779 126.778 2.124 0 U 1.016e+03 0.00e+00 - 0 19 20 1580 0 # 54 ALA H 330 8.834 104.177 8.087 0 U -2.394e+03 0.00e+00 - 0 1 2 63 0 # 30 GLY H 331 8.088 120.994 3.673 0 U 7.839e+02 0.00e+00 - 0 63 64 1379 0 # 31 LYS H 332 7.980 119.401 -0.111 0 U 1.254e+03 0.00e+00 - 0 91 92 1527 0 # 23 LEU H 333 8.289 120.191 4.629 0 U 8.658e+03 0.00e+00 - 0 79 80 1354 0 # 55 VAL H 334 8.781 119.413 0.878 0 U 2.559e+03 0.00e+00 - 0 89 90 1515 0 # 28 SER H 335 9.253 119.790 2.149 0 U 9.350e+02 0.00e+00 - 0 83 84 1405 0 # 48 ARG H 336 7.980 119.401 1.075 0 U 5.388e+02 0.00e+00 - 0 91 92 1424 0 # 23 LEU H 337 8.289 120.191 0.547 0 U 1.097e+03 0.00e+00 - 0 79 80 1463 0 # 55 VAL H 338 8.238 125.747 1.817 0 U 1.481e+03 0.00e+00 - 0 23 24 1384 0 # 59 LEU H 339 9.380 127.357 1.825 0 U 2.796e+03 0.00e+00 - 0 17 18 1382 0 # 34 VAL H 340 7.980 119.401 1.839 0 U 6.028e+02 0.00e+00 - 0 91 92 1400 0 # 23 LEU H 341 8.289 120.191 0.802 0 U 1.115e+03 0.00e+00 - 0 79 80 1583 0 # 55 VAL H 342 7.284 115.150 3.839 0 U 1.007e+03 0.00e+00 - 0 113 114 1328 0 # 26 ARG H 343 8.834 104.177 2.903 0 U -4.923e+02 0.00e+00 - 0 1 2 1398 0 # 30 GLY H 344 7.980 119.401 1.464 0 U 3.379e+03 0.00e+00 - 0 0 0 0 0 # 23 LEU H 345 8.289 120.191 5.368 0 U 2.985e+03 0.00e+00 - 0 79 80 1364 0 # 55 VAL H 346 6.737 122.170 0.587 0 U 2.253e+03 0.00e+00 - 0 51 52 1631 0 # 3 PHE H 347 8.069 121.403 0.737 0 U 1.386e+03 0.00e+00 - 0 57 58 1569 0 # 49 LEU H 348 9.797 119.764 6.386 0 U 7.266e+02 0.00e+00 - 0 85 86 1674 0 # 17 TYR H 349 8.306 124.982 0.798 0 U 1.298e+03 0.00e+00 - 0 31 32 1583 0 # 56 LYS H 350 9.018 113.008 2.195 0 U 2.316e+03 0.00e+00 - 0 115 116 1381 0 # 5 GLY H 351 7.980 119.401 0.789 0 U 6.070e+02 0.00e+00 - 0 91 92 1500 0 # 23 LEU H 352 9.150 125.985 1.417 0 U 1.221e+03 0.00e+00 - 0 0 0 0 0 # 24 VAL H 353 8.306 124.982 1.870 0 U 2.981e+03 0.00e+00 - 0 31 32 1386 0 # 56 LYS H 354 8.238 125.747 4.330 0 U 1.700e+03 0.00e+00 - 0 23 24 1347 0 # 59 LEU H 355 9.380 127.357 4.803 0 U 6.789e+03 0.00e+00 - 0 17 18 1331 0 # 34 VAL H 356 9.797 119.764 3.797 0 U 5.978e+02 0.00e+00 - 0 85 86 1357 0 # 17 TYR H 357 8.924 122.532 6.950 0 U 1.382e+03 0.00e+00 - 0 47 48 1702 0 # 20 PHE H 358 8.454 119.027 0.754 0 U 5.033e+02 0.00e+00 - 0 93 94 1488 0 # 19 ARG H 359 8.834 104.177 3.673 0 U -4.096e+03 0.00e+00 - 0 1 2 1379 0 # 30 GLY H 360 9.648 128.129 0.770 0 U 1.047e+03 0.00e+00 - 0 0 0 0 0 # 25 GLN H 361 8.324 121.128 0.853 0 U 9.776e+02 0.00e+00 - 0 61 62 1594 0 # 58 ILE H 362 6.586 112.986 2.209 0 U 2.608e+03 0.00e+00 - 0 1667 1668 1506 0 # 25 GLN HE21 363 8.454 119.027 2.474 0 U 1.631e+03 0.00e+00 - 0 93 94 1393 0 # 19 ARG H 364 9.797 119.764 3.618 0 U 1.211e+03 0.00e+00 - 0 85 86 1390 0 # 17 TYR H 365 8.069 121.403 4.671 0 U 4.982e+03 0.00e+00 - 0 57 58 1346 0 # 49 LEU H 366 6.586 112.986 1.430 0 U 1.198e+03 0.00e+00 - 0 1667 1668 1427 0 # 25 GLN HE21 367 9.253 119.790 4.856 0 U 4.057e+03 0.00e+00 - 0 83 84 1356 0 # 48 ARG H 368 8.588 124.360 3.810 0 U 1.603e+03 0.00e+00 - 0 35 36 1357 0 # 16 THR H 369 8.324 121.128 5.324 0 U 5.395e+02 0.00e+00 - 0 0 0 0 0 # 58 ILE H 370 7.980 119.401 8.660 0 U 1.744e+03 0.00e+00 - 0 91 92 11 0 # 23 LEU H 371 9.648 128.129 4.127 0 U 1.487e+03 0.00e+00 - 0 9 10 1329 0 # 25 GLN H 372 9.648 128.129 7.290 0 U 3.146e+03 0.00e+00 - 0 9 10 113 0 # 25 GLN H 373 8.238 125.747 0.870 0 U 1.266e+03 0.00e+00 - 0 0 0 0 0 # 59 LEU H 374 9.648 128.129 0.530 0 U 1.338e+03 0.00e+00 - 0 9 10 1504 0 # 25 GLN H 375 8.834 104.177 4.173 0 U -2.164e+03 0.00e+00 - 0 1 2 1376 0 # 30 GLY H 376 9.648 128.129 8.393 0 U 6.452e+02 0.00e+00 - 0 9 10 27 0 # 25 GLN H 377 8.238 125.747 1.561 0 U 3.506e+03 0.00e+00 - 0 0 0 0 0 # 59 LEU H 378 8.837 108.959 6.780 0 U 7.507e+02 0.00e+00 - 0 139 140 1697 0 # 22 GLY H 379 8.837 108.959 0.549 0 U 1.511e+03 0.00e+00 - 0 139 140 1464 0 # 22 GLY H 380 6.586 112.986 0.777 0 U 9.677e+02 0.00e+00 - 0 1667 1668 1533 0 # 25 GLN HE21 381 8.924 122.532 2.660 0 U 1.063e+03 0.00e+00 - 0 47 48 1445 0 # 20 PHE H 382 8.454 119.027 0.235 0 U 5.708e+02 0.00e+00 - 0 93 94 1487 0 # 19 ARG H 383 8.834 104.177 4.327 0 U -2.408e+03 0.00e+00 - 0 1 2 1325 0 # 30 GLY H 384 8.588 124.360 0.634 0 U 9.108e+02 0.00e+00 - 0 35 36 1483 0 # 16 THR H 385 9.233 125.003 4.556 0 U 4.898e+03 0.00e+00 - 0 29 30 1336 0 # 29 ASP H 386 8.454 119.027 8.916 0 U 1.338e+03 0.00e+00 - 0 93 94 47 0 # 19 ARG H 387 7.092 112.986 6.586 0 U 2.227e+04 0.00e+00 - 0 1669 1668 1667 0 # 25 GLN HE22 388 6.586 112.986 1.845 0 U 1.054e+03 0.00e+00 - 0 1667 1668 1400 0 # 25 GLN HE21 389 8.924 122.532 4.378 0 U 1.107e+03 0.00e+00 - 0 47 48 1365 0 # 20 PHE H 390 8.454 119.027 3.273 0 U 5.415e+03 0.00e+00 - 0 93 94 1343 0 # 19 ARG H 391 7.553 120.582 8.464 0 U 5.416e+02 0.00e+00 - 0 0 0 0 0 # 18 TYR H 392 8.850 120.972 2.884 0 U 6.341e+02 0.00e+00 - 0 69 70 1439 0 # 37 GLU H 393 9.150 125.985 3.837 0 U 1.191e+03 0.00e+00 - 0 21 22 1328 0 # 24 VAL H 394 9.797 119.764 0.581 0 U 6.402e+02 0.00e+00 - 0 0 0 0 0 # 17 TYR H 395 9.797 119.764 0.482 0 U 6.014e+02 0.00e+00 - 0 0 0 0 0 # 17 TYR H 396 6.586 112.986 4.404 0 U 6.462e+02 0.00e+00 - 0 1667 1668 1370 0 # 25 GLN HE21 397 8.924 122.532 3.388 0 U 2.259e+03 0.00e+00 - 0 47 48 1415 0 # 20 PHE H 398 8.654 127.433 4.137 0 U 6.508e+03 0.00e+00 - 0 11 12 1329 0 # 35 LEU H 399 7.668 121.775 2.935 0 U 9.037e+02 0.00e+00 - 0 55 56 1401 0 # 15 ASP H 400 8.588 124.360 3.618 0 U 1.921e+03 0.00e+00 - 0 35 36 1390 0 # 16 THR H 401 7.544 117.348 0.694 0 U 2.279e+03 0.00e+00 - 0 109 110 1480 0 # 14 ASP H 402 7.448 112.187 6.890 0 U 2.822e+04 0.00e+00 - 0 1664 1665 1666 0 # 40 ASN HD21 403 7.956 124.955 4.785 0 U 8.465e+03 0.00e+00 - 0 33 34 1338 0 # 13 VAL H 404 7.092 112.986 0.771 0 U 1.302e+03 0.00e+00 - 0 1669 1668 1533 0 # 25 GLN HE22 405 9.276 128.444 7.151 0 U 1.194e+03 0.00e+00 - 0 7 8 1694 0 # 36 PHE H 406 6.705 119.138 9.018 0 U 2.628e+03 0.00e+00 - 0 95 96 97 0 # 12 ASN H 407 9.010 119.053 0.921 0 U 1.364e+03 0.00e+00 - 0 97 98 1473 0 # 11 THR H 408 7.092 112.986 1.424 0 U 1.036e+03 0.00e+00 - 0 1669 1668 1427 0 # 25 GLN HE22 409 7.782 122.579 2.198 0 U 3.455e+03 0.00e+00 - 0 43 44 1381 0 # 6 ALA H 410 9.648 128.129 1.705 0 U 1.818e+03 0.00e+00 - 0 9 10 1447 0 # 25 GLN H 411 8.228 121.370 2.159 0 U 9.620e+02 0.00e+00 - 0 59 60 1606 0 # 60 GLU H 412 7.092 112.986 1.847 0 U 5.168e+02 0.00e+00 - 0 1669 1668 1400 0 # 25 GLN HE22 413 8.069 121.403 3.799 0 U 1.941e+03 0.00e+00 - 0 57 58 1374 0 # 49 LEU H 414 8.454 119.027 3.974 0 U 5.801e+03 0.00e+00 - 0 93 94 1360 0 # 19 ARG H 415 8.850 120.972 3.489 0 U 1.288e+03 0.00e+00 - 0 69 70 1410 0 # 37 GLU H 416 7.284 115.150 0.537 0 U 3.070e+03 0.00e+00 - 0 113 114 1504 0 # 26 ARG H 417 9.233 125.003 2.538 0 U 7.537e+02 0.00e+00 - 0 29 30 1422 0 # 29 ASP H 418 8.921 118.296 5.356 0 U 5.512e+03 0.00e+00 - 0 101 102 1364 0 # 9 ARG H 419 6.737 122.170 1.031 0 U 3.545e+03 0.00e+00 - 0 51 52 1394 0 # 3 PHE H 420 7.284 115.150 1.215 0 U 1.744e+03 0.00e+00 - 0 113 114 1383 0 # 26 ARG H 421 8.921 118.296 1.865 0 U 4.068e+03 0.00e+00 - 0 101 102 1395 0 # 9 ARG H 422 8.324 121.128 4.441 0 U 6.733e+03 0.00e+00 - 0 61 62 1348 0 # 58 ILE H 423 8.178 122.218 3.797 0 U 3.983e+03 0.00e+00 - 0 49 50 1387 0 # 46 THR H 424 7.284 115.150 1.740 0 U 2.977e+03 0.00e+00 - 0 0 0 0 0 # 26 ARG H 425 9.018 113.008 3.564 0 U 3.202e+03 0.00e+00 - 0 115 116 1378 0 # 5 GLY H 426 9.018 113.008 3.867 0 U 7.318e+03 0.00e+00 - 0 115 116 1371 0 # 5 GLY H 427 8.654 127.433 4.786 0 U 8.200e+02 0.00e+00 - 0 11 12 1327 0 # 35 LEU H 428 7.858 108.609 1.472 0 U 5.274e+02 0.00e+00 - 0 141 142 1450 0 # 50 SER H 429 8.306 124.982 4.620 0 U 2.475e+03 0.00e+00 - 0 31 32 1607 0 # 56 LYS H 430 8.069 121.403 1.387 0 U 4.699e+03 0.00e+00 - 0 0 0 0 0 # 49 LEU H 431 6.737 122.170 2.901 0 U 1.066e+03 0.00e+00 - 0 51 52 1622 0 # 3 PHE H 432 7.668 121.775 7.531 0 U 2.873e+03 0.00e+00 - 0 55 56 109 0 # 15 ASP H 433 9.030 117.547 8.850 0 U 1.392e+03 0.00e+00 - 0 107 108 139 0 434 6.705 119.138 6.911 0 U 1.475e+03 0.00e+00 - 0 95 96 1670 0 435 8.924 122.532 3.936 0 U 5.694e+02 0.00e+00 - 0 0 0 0 0 436 8.088 120.994 1.765 0 U 3.383e+03 0.00e+00 - 0 63 64 1438 0 437 8.088 120.994 5.144 0 U 1.852e+03 0.00e+00 - 0 63 64 1350 0 438 8.654 127.433 9.662 0 U 5.580e+02 0.00e+00 - 0 11 12 9 0 439 8.852 112.983 4.790 0 U 6.388e+03 0.00e+00 - 0 0 0 0 0 440 8.621 121.824 4.763 0 U 2.463e+03 0.00e+00 - 0 0 0 0 0 441 7.820 120.614 8.063 0 U 1.294e+03 0.00e+00 - 0 75 76 57 0