1HIS A 1 999.90 154.78 173.60 -75.40 112.26 999.90 999.90 0.00 0.00 34.20 31.13 3.038 4.390 2 5 12.000 14.585 2MET A 2 -157.04 149.01-176.56 55.11 73.75 62.12 999.90 0.00 0.00 33.40 53.22 4.102 2.692 3 7 12.963 9.293 3PRO A 3 -62.86 116.71-179.80 21.46 999.90 999.90 999.90 0.00 0.00 37.98 71.25 3.270 4.456 5 11 12.610 14.438 4LYS A 4 -76.80 20.04 178.95 52.38 168.45 -66.60-174.62 0.00 0.00 34.28 25.41 3.653 4.253 4 12 13.187 14.024 5SER A 5 72.83 86.74 178.35-178.50 999.90 999.90 999.90 0.00 0.00 32.96 44.41 4.543 5.124 5 15 14.823 15.860 6PRO A 6 -81.72 58.01-178.43 32.53 999.90 999.90 999.90 0.00 0.00 38.81 21.11 4.998 4.309 5 12 15.782 14.246 7GLN A 7 S 62.78 22.80-178.01-169.31 179.01 30.26 999.90 -1.78 0.00 33.56 5.05 2.577 3.231 4 15 10.720 12.130 8LYS A 8 -63.38 143.04 179.77 57.42 88.51-176.58 64.63 0.00 0.00 33.82 60.44 3.892 3.169 7 20 15.385 10.914 9PRO A 9 e -65.41 147.08-175.19 23.66 999.90 999.90 999.90 0.00 0.00 38.24 4.25 4.749 3.510 8 27 16.519 12.729 10ILE A 10 E-133.01 166.04 172.93 59.32 175.36 999.90 999.90 0.00 0.00 34.62 4.52 2.129 2.477 10 33 9.793 9.535 11VAL A 11 E-133.69 128.12-176.05-178.49 999.90 999.90 999.90 -2.44 0.00 34.20 33.44 2.725 3.704 14 43 10.636 12.548 12ARG A 12 E -91.45 97.29-176.05 -62.56 171.66 173.76 147.97 -1.82 0.00 34.40 3.31 2.685 2.743 12 37 9.838 10.101 13VAL A 13 E -95.69 112.55 173.89-176.20 999.90 999.90 999.90 -2.33 0.00 34.54 22.40 4.671 3.363 12 53 15.726 13.132 14PHE A 14 E -80.60 119.60-178.38 -67.14 -76.36 999.90 999.90 -2.65 0.00 34.04 14.32 1.586 2.472 12 35 5.911 10.309 15LEU A 15 E -95.99 159.44 176.82 -61.00 178.32 999.90 999.90 -1.09 0.00 34.64 63.34 2.427 4.660 11 41 8.101 15.083 16PRO A 16 T -52.27 162.87-178.23 -26.18 999.90 999.90 999.90 0.00 0.00 38.46 41.35 4.860 3.391 8 37 15.951 10.555 17ASN A 17 T 65.96 28.97 178.12-174.09 30.43 999.90 999.90 0.00 0.00 33.69 30.31 2.459 2.013 4 27 11.306 8.882 18LYS A 18 T 65.64 19.45-178.95 -61.81 -65.95 177.89 169.94 0.00 0.00 33.92 1.21 3.605 3.915 6 18 13.019 14.599 19GLN A 19 E -84.04 171.87-179.59 -61.36 -65.57 -33.50 999.90 -1.05 0.00 34.19 51.51 2.897 4.887 7 27 9.931 15.338 20ARG A 20 E-160.34 140.56 176.67 63.88-175.44-176.17-110.45 0.00 0.00 34.36 1.14 4.744 3.577 8 29 17.217 12.903 21THR A 21 E-139.53 141.54 178.97-176.59 999.90 999.90 999.90 -2.96 0.00 33.69 21.03 3.387 2.814 9 38 12.978 11.446 22VAL A 22 E-105.94 119.23-177.60-178.81 999.90 999.90 999.90 0.00 0.00 34.27 52.34 4.263 4.647 8 37 13.628 15.826 23VAL A 23 E-119.83 149.08 179.25 -65.62 999.90 999.90 999.90 -2.13 0.00 34.29 55.32 3.630 5.573 10 45 12.613 17.525 24PRO A 24 E -65.17 144.84 179.59 -16.44 999.90 999.90 999.90 0.00 0.00 38.32 20.34 4.745 2.317 8 40 15.425 9.174 25ALA A 25 e -78.25 113.06-173.25 999.90 999.90 999.90 999.90 -2.04 0.00 33.86 0.00 3.490 7.036 13 34 11.132 21.201 26ARG A 26 -115.63 136.46 177.27 -57.69 171.49 176.36 133.45 -0.69 0.00 35.04 4.23 2.439 2.436 10 33 9.237 9.240 27CYS A 27 S -99.94 133.64-176.17-171.89 999.90 999.90 999.90 0.00 0.00 34.36 14.12 2.794 1.690 8 26 11.690 5.349 28GLY A 28 S 90.18 -21.32 175.93 999.90 999.90 999.90 999.90 0.00 0.00 999.90 0.00 2.565 0.000 6 20 8.379 0.000 29VAL A 29 S -97.45 125.09-178.64-178.99 999.90 999.90 999.90 0.00 0.00 34.27 15.21 3.968 1.736 11 27 13.331 5.218 30THR A 30 h -72.95 156.13 175.53 66.82 999.90 999.90 999.90 -0.53 0.00 34.70 25.13 5.173 4.065 13 33 16.522 13.273 31VAL A 31 H -50.73 -36.03 178.20-178.99 999.90 999.90 999.90 -2.81 0.00 34.41 33.32 5.362 2.832 12 51 17.858 9.224 32ARG A 32 H -60.39 -59.59-174.31-164.64-174.62 172.48 154.03 -2.06 0.00 35.32 2.45 3.368 3.941 10 46 12.256 13.819 33ASP A 33 H -70.78 -18.19 176.74-151.84 70.09 999.90 999.90 0.00 0.00 34.01 4.20 2.662 3.549 7 33 10.099 13.924 34SER A 34 H -82.13 -37.33-179.64-172.66 999.90 999.90 999.90 -1.96 0.00 34.15 2.50 3.211 1.862 11 43 11.195 7.096 35LEU A 35 H -97.21 2.34-177.47 -64.66 178.42 999.90 999.90 -2.06 0.00 34.47 21.23 5.143 3.760 9 54 16.535 12.137 36LYS A 36 H -52.55 -33.24 178.26 69.98-167.96 -55.97 177.15 -0.94 0.00 34.12 22.35 3.235 3.665 9 36 10.473 13.046 37LYS A 37 H -79.36 -37.83 178.27 -55.61-175.03 80.00 -59.37 0.00 0.00 34.24 12.01 4.052 3.059 7 25 13.610 12.442 38ALA A 38 H -62.96 -46.23 176.00 999.90 999.90 999.90 999.90 0.00 0.00 33.87 0.00 2.592 1.577 8 39 9.081 4.125 39LEU A 39 H -61.70 -44.49 178.30 -58.70 175.94 999.90 999.90 -2.86 0.00 34.49 34.33 2.535 3.351 11 38 9.727 11.631 40MET A 40 H -53.08 -53.36-177.72 179.73-176.61 179.71 999.90 -1.40 0.00 34.72 62.22 4.747 4.370 9 24 15.850 13.988 41MET A 41 H -68.69 -14.14 177.21 62.78-178.86 57.95 999.90 -2.43 0.00 33.73 61.42 3.593 3.992 7 23 13.815 13.109 42ARG A 42 H-100.50 -8.22-178.26 -57.56 -57.23-177.92-154.61 -0.72 0.00 34.32 55.23 2.499 5.211 6 28 8.832 17.340 43GLY A 43 h 79.33 18.10-177.78 999.90 999.90 999.90 999.90 -1.14 0.00 999.90 0.00 4.012 0.000 7 27 13.426 0.000 44LEU A 44 t-101.74 156.80 176.28 -59.18 176.86 999.90 999.90 -2.65 0.00 34.77 15.11 4.018 3.881 10 36 14.335 13.688 45ILE A 45 g-127.23 138.29-174.04 54.07-179.02 999.90 999.90 0.00 0.00 33.56 22.55 4.700 4.923 8 34 16.031 16.408 46PRO A 46 G -54.08 -39.71-179.01 15.43 999.90 999.90 999.90 0.00 0.00 37.73 13.43 3.152 2.024 10 38 12.783 6.470 47GLU A 47 G -65.03 -19.53-179.13 64.13-173.59 -82.40 999.90 0.00 0.00 34.45 73.13 3.225 4.178 5 28 12.514 15.134 48CYS A 48 e-111.70 20.29 179.27-176.03 999.90 999.90 999.90 -1.94 0.00 34.50 64.13 4.173 4.517 9 31 14.073 14.665 49CYS A 49 E-137.49 137.26-179.97 -62.64 999.90 999.90 999.90 -1.72 0.00 34.00 62.31 4.363 4.994 12 40 15.141 15.382 50ALA A 50 E-110.54 123.67 176.28 999.90 999.90 999.90 999.90 -3.08 0.00 34.12 0.00 3.349 2.937 12 36 12.117 6.836 51VAL A 51 E -99.95 138.19 174.17-175.86 999.90 999.90 999.90 -0.63 0.00 34.66 75.50 4.703 4.759 12 53 15.773 15.436 52TYR A 52 E-146.44 151.30 179.12 65.69 -84.99 999.90 999.90 -2.46 0.00 33.47 75.33 2.989 2.849 11 39 11.180 11.618 53ARG A 53 E-120.01 152.58 177.20 68.79-177.71-172.24-115.64 -2.28 0.00 34.44 25.01 3.765 4.018 12 36 12.728 13.539 54ILE A 54 E-106.35 86.01-176.72 -53.00-178.65 999.90 999.90 0.00 0.00 33.53 63.35 1.205 5.578 9 26 4.839 18.065 55GLN A 55 E-104.97 120.47-178.08-174.03 67.35 -89.51 999.90 -2.03 0.00 34.68 60.43 2.008 2.903 7 22 6.511 11.219 56ASP A 56 T 59.34 30.89-179.85 -61.84 -63.17 999.90 999.90 -0.56 0.00 33.55 31.32 2.777 3.875 4 13 9.192 12.789 57GLY A 57 T 89.72 -9.24-176.13 999.90 999.90 999.90 999.90 0.00 0.00 999.90 0.00 3.014 0.000 5 13 10.982 0.000 58GLU A 58 E -95.26 125.40 172.60 -61.62 -62.09 -73.50 999.90 -1.85 0.00 34.93 30.32 3.661 3.213 7 15 12.616 12.694 59LYS A 59 E -84.36 96.27-177.64 -67.32-179.37 179.32-176.98 0.00 0.00 34.06 11.50 3.864 2.316 8 20 13.784 9.291 60LYS A 60 E-104.58 129.68-179.64-101.13 53.32-176.04 173.35 -2.46 0.00 33.53 42.41 2.562 3.165 8 23 11.398 11.950 61PRO A 61 E -71.30 125.56-179.15 27.22 999.90 999.90 999.90 0.00 0.00 38.39 33.34 2.541 2.893 8 34 8.716 10.771 62ILE A 62 E -97.67 126.08 176.63 -56.73 175.17 999.90 999.90 -2.64 0.00 34.79 11.11 3.018 2.621 9 41 9.792 10.346 63GLY A 63 t -76.46 136.21 178.72 999.90 999.90 999.90 999.90 0.00 0.00 999.90 0.00 2.140 0.000 7 33 8.851 0.000 64TRP A 64 T -59.60 -21.00 179.05 -68.40 98.45 999.90 999.90 0.00 0.00 34.66 12.13 3.919 2.581 9 41 14.543 8.994 65ASP A 65 T -79.02 -12.52 179.90 45.76 -84.35 999.90 999.90 0.00 0.00 34.70 12.24 4.950 1.502 7 28 17.509 5.651 66THR A 66 t -79.27 145.83 176.89 -65.73 999.90 999.90 999.90 -2.21 0.00 34.31 51.41 1.715 4.871 9 32 7.252 15.153 67ASP A 67 B -64.19 134.41 177.25 -62.45 70.67 999.90 999.90 0.00 0.00 34.89 52.40 3.047 5.709 12 34 11.687 18.132 68ILE A 68 G -67.56 -19.11 178.98 177.63 178.40 999.90 999.90 -1.94 0.00 33.47 51.13 4.733 4.581 13 43 15.704 15.252 69SER A 69 G -60.26 -29.23 175.59 61.89 999.90 999.90 999.90 -1.15 0.00 34.31 20.31 4.124 2.110 10 35 14.698 6.297 70TRP A 70 G -60.01 -27.00-171.82 -69.04 56.35 999.90 999.90 -1.20 0.00 35.01 4.32 3.902 3.064 6 37 14.400 12.170 71LEU A 71 G-104.69 15.54-178.02 -47.69 170.14 999.90 999.90 -1.68 0.00 35.40 73.11 3.700 4.584 11 44 13.061 16.765 72THR A 72 g -56.30 109.43 174.75 -59.28 999.90 999.90 999.90 -1.38 0.00 34.63 11.24 3.885 2.724 10 34 13.592 10.097 73GLY A 73 T 103.79 -17.06-175.71 999.90 999.90 999.90 999.90 -2.04 0.00 999.90 0.00 2.922 0.000 9 29 10.603 0.000 74GLU A 74 e -98.62 173.41-177.60 72.12 172.04 -70.06 999.90 -1.75 0.00 33.18 73.31 3.419 4.735 7 36 11.782 16.836 75GLU A 75 E-105.59 124.40-179.30 -59.17 171.44 84.97 999.90 0.00 0.00 34.74 51.41 3.274 4.254 10 41 13.215 13.643 76LEU A 76 E -98.30 160.14 177.11 -51.24-179.68 999.90 999.90 -2.30 0.00 34.72 43.43 2.738 4.484 13 51 10.212 15.516 77HIS A 77 E-129.56 120.04-178.43 -61.81 -94.20 999.90 999.90 -2.09 0.00 34.26 23.31 2.750 3.117 10 44 10.204 11.112 78VAL A 78 E-116.12 138.32 175.98-173.05 999.90 999.90 999.90 -2.71 0.00 34.78 33.34 2.299 3.851 12 50 7.127 11.887 79GLU A 79 E-138.76 152.91-177.15 60.35 171.57 -87.92 999.90 -2.11 0.00 33.40 12.55 6.455 2.972 9 41 20.180 11.658 80VAL A 80 E -81.71 143.52 177.05-176.43 999.90 999.90 999.90 0.00 0.00 34.41 52.21 5.673 3.843 10 35 18.091 12.224 81LEU A 81 e -84.75 -60.25 177.53 -58.49 177.86 999.90 999.90 -2.89 0.00 34.46 21.43 2.593 4.784 7 24 8.614 16.327 82GLU A 82 S -76.78 94.61 175.80 -65.76 174.94 76.72 999.90 0.00 0.00 34.32 43.32 4.666 3.976 6 19 15.650 13.397 83ASN A 83 -70.57 79.35-177.95 -60.61 -88.18 999.90 999.90 -1.28 0.00 33.51 60.22 3.306 4.344 5 18 12.883 14.206 84VAL A 84 -126.58 163.04 174.57 -61.39 999.90 999.90 999.90 -2.20 0.00 34.67 13.43 3.572 3.513 4 15 13.115 12.355 85PRO A 85 -69.03 119.64 175.94 -13.83 999.90 999.90 999.90 0.00 0.00 38.49 30.23 2.260 4.665 3 13 8.794 14.933 86LEU A 86 -81.64 999.90 999.90 -72.04 65.82 999.90 999.90 0.00 0.00 34.06 50.24 3.350 3.960 3 17 12.529 12.539