USER MOD reduce.3.24.130724 H: found=0, std=0, add=861, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 858 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 33 TYR OH : rot -68:sc= 1.08 USER MOD Set 1.2: A 86 SER OG : rot -114:sc= 2.1 USER MOD Set 2.1: A 7 TYR OH : rot 180:sc= -0.824 USER MOD Set 2.2: A 109 THR OG1 : rot 180:sc= 0.0144 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc=-0.00012 X(o=-0.00012,f=-0.068) USER MOD Single : A 21 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 22 SER OG : rot -95:sc= 1.13 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot -89:sc= 0.315 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 ASN : amide:sc= -0.037 K(o=-0.037,f=-8.7!) USER MOD Single : A 51 HIS : no HE2:sc= -0.164 X(o=-0.16,f=-0.33) USER MOD Single : A 53 GLN : amide:sc= -0.0215 K(o=-0.022,f=-1.8!) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.0367 USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 83 HIS : no HD1:sc= -0.814 K(o=-0.81,f=-2.2) USER MOD Single : A 84 TYR OH : rot 180:sc= -0.168 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 128:sc= 0.752 USER MOD Single : A 94 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 96 GLN : amide:sc= -0.0698 X(o=-0.07,f=-0.38) USER MOD Single : A 97 MET CE :methyl -149:sc= -2.19! (180deg=-3.02!) USER MOD Single : A 98 GLN : amide:sc= -0.483 X(o=-0.48,f=-0.95) USER MOD Single : A 100 HIS : no HD1:sc= -4 K(o=-4,f=-4.6!) USER MOD Single : A 101 TYR OH : rot 75:sc= 1.27 USER MOD Single : A 103 MET CE :methyl -102:sc= -0.0865 (180deg=-1.03) USER MOD Single : A 121 SER OG : rot -38:sc= 0.749 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 6 55.641 86.899 81.737 1.00 0.00 N ATOM 2 CA ARG A 6 54.301 86.966 82.390 1.00 0.00 C ATOM 3 C ARG A 6 53.807 88.417 82.464 1.00 0.00 C ATOM 4 O ARG A 6 52.623 88.667 82.612 1.00 0.00 O ATOM 5 CB ARG A 6 54.514 86.397 83.793 1.00 0.00 C ATOM 6 CG ARG A 6 54.874 84.914 83.692 1.00 0.00 C ATOM 7 CD ARG A 6 55.088 84.343 85.098 1.00 0.00 C ATOM 8 NE ARG A 6 55.443 82.911 84.884 1.00 0.00 N ATOM 9 CZ ARG A 6 55.369 82.067 85.877 1.00 0.00 C ATOM 10 NH1 ARG A 6 56.327 82.013 86.761 1.00 0.00 N ATOM 11 NH2 ARG A 6 54.336 81.276 85.985 1.00 0.00 N ATOM 0 HA ARG A 6 53.547 86.409 81.833 1.00 0.00 H new ATOM 0 HB2 ARG A 6 55.310 86.942 84.301 1.00 0.00 H new ATOM 0 HB3 ARG A 6 53.610 86.523 84.389 1.00 0.00 H new ATOM 0 HG2 ARG A 6 54.078 84.369 83.184 1.00 0.00 H new ATOM 0 HG3 ARG A 6 55.777 84.788 83.095 1.00 0.00 H new ATOM 0 HD2 ARG A 6 55.884 84.873 85.622 1.00 0.00 H new ATOM 0 HD3 ARG A 6 54.187 84.440 85.704 1.00 0.00 H new ATOM 0 HE ARG A 6 55.743 82.591 83.963 1.00 0.00 H new ATOM 0 HH11 ARG A 6 57.134 82.631 86.676 1.00 0.00 H new ATOM 0 HH12 ARG A 6 56.269 81.353 87.537 1.00 0.00 H new ATOM 0 HH21 ARG A 6 53.587 81.318 85.294 1.00 0.00 H new ATOM 0 HH22 ARG A 6 54.278 80.616 86.761 1.00 0.00 H new ATOM 25 N TYR A 7 54.700 89.375 82.358 1.00 31.93 N ATOM 26 CA TYR A 7 54.275 90.805 82.418 1.00 29.59 C ATOM 27 C TYR A 7 54.732 91.546 81.158 1.00 29.68 C ATOM 28 O TYR A 7 55.882 91.915 81.019 1.00 30.50 O ATOM 29 CB TYR A 7 54.955 91.370 83.669 1.00 27.35 C ATOM 30 CG TYR A 7 54.233 90.859 84.900 1.00 25.69 C ATOM 31 CD1 TYR A 7 52.840 90.985 85.003 1.00 23.48 C ATOM 32 CD2 TYR A 7 54.957 90.255 85.936 1.00 23.78 C ATOM 33 CE1 TYR A 7 52.174 90.507 86.138 1.00 22.47 C ATOM 34 CE2 TYR A 7 54.287 89.775 87.069 1.00 22.01 C ATOM 35 CZ TYR A 7 52.899 89.902 87.170 1.00 22.87 C ATOM 36 OH TYR A 7 52.244 89.424 88.287 1.00 25.71 O ATOM 0 H TYR A 7 55.701 89.225 82.233 1.00 31.93 H new ATOM 0 HA TYR A 7 53.192 90.916 82.467 1.00 29.59 H new ATOM 0 HB2 TYR A 7 56.002 91.070 83.696 1.00 27.35 H new ATOM 0 HB3 TYR A 7 54.936 92.460 83.647 1.00 27.35 H new ATOM 0 HD1 TYR A 7 52.280 91.451 84.206 1.00 23.48 H new ATOM 0 HD2 TYR A 7 56.030 90.159 85.861 1.00 23.78 H new ATOM 0 HE1 TYR A 7 51.101 90.605 86.217 1.00 22.47 H new ATOM 0 HE2 TYR A 7 54.845 89.306 87.866 1.00 22.01 H new ATOM 0 HH TYR A 7 52.896 89.033 88.906 1.00 25.71 H new ATOM 46 N ARG A 8 53.829 91.755 80.238 1.00 0.00 N ATOM 47 CA ARG A 8 54.169 92.460 78.967 1.00 0.00 C ATOM 48 C ARG A 8 52.993 93.330 78.521 1.00 0.00 C ATOM 49 O ARG A 8 51.844 92.944 78.610 1.00 0.00 O ATOM 50 CB ARG A 8 54.428 91.347 77.947 1.00 0.00 C ATOM 51 CG ARG A 8 55.801 90.720 78.201 1.00 0.00 C ATOM 52 CD ARG A 8 56.898 91.719 77.826 1.00 0.00 C ATOM 53 NE ARG A 8 58.173 90.969 77.992 1.00 0.00 N ATOM 54 CZ ARG A 8 59.109 91.437 78.773 1.00 0.00 C ATOM 55 NH1 ARG A 8 58.839 91.721 80.017 1.00 0.00 N ATOM 56 NH2 ARG A 8 60.315 91.620 78.309 1.00 0.00 N ATOM 0 H ARG A 8 52.855 91.463 80.314 1.00 0.00 H new ATOM 0 HA ARG A 8 55.032 93.117 79.078 1.00 0.00 H new ATOM 0 HB2 ARG A 8 53.651 90.586 78.021 1.00 0.00 H new ATOM 0 HB3 ARG A 8 54.384 91.751 76.935 1.00 0.00 H new ATOM 0 HG2 ARG A 8 55.895 90.438 79.250 1.00 0.00 H new ATOM 0 HG3 ARG A 8 55.910 89.808 77.614 1.00 0.00 H new ATOM 0 HD2 ARG A 8 56.778 92.072 76.802 1.00 0.00 H new ATOM 0 HD3 ARG A 8 56.870 92.597 78.471 1.00 0.00 H new ATOM 0 HE ARG A 8 58.316 90.089 77.496 1.00 0.00 H new ATOM 0 HH11 ARG A 8 57.897 91.578 80.380 1.00 0.00 H new ATOM 0 HH12 ARG A 8 59.570 92.087 80.627 1.00 0.00 H new ATOM 0 HH21 ARG A 8 60.526 91.397 77.336 1.00 0.00 H new ATOM 0 HH22 ARG A 8 61.046 91.986 78.919 1.00 0.00 H new ATOM 70 N VAL A 9 53.290 94.509 78.044 1.00 0.00 N ATOM 71 CA VAL A 9 52.228 95.449 77.580 1.00 0.00 C ATOM 72 C VAL A 9 52.797 96.346 76.475 1.00 0.00 C ATOM 73 O VAL A 9 53.678 97.153 76.704 1.00 0.00 O ATOM 74 CB VAL A 9 51.852 96.282 78.812 1.00 0.00 C ATOM 75 CG1 VAL A 9 50.769 97.298 78.438 1.00 0.00 C ATOM 76 CG2 VAL A 9 51.316 95.362 79.911 1.00 0.00 C ATOM 0 H VAL A 9 54.241 94.867 77.955 1.00 0.00 H new ATOM 0 HA VAL A 9 51.359 94.932 77.172 1.00 0.00 H new ATOM 0 HB VAL A 9 52.738 96.806 79.171 1.00 0.00 H new ATOM 0 HG11 VAL A 9 50.505 97.888 79.316 1.00 0.00 H new ATOM 0 HG12 VAL A 9 51.144 97.959 77.656 1.00 0.00 H new ATOM 0 HG13 VAL A 9 49.886 96.772 78.075 1.00 0.00 H new ATOM 0 HG21 VAL A 9 51.050 95.956 80.785 1.00 0.00 H new ATOM 0 HG22 VAL A 9 50.433 94.836 79.547 1.00 0.00 H new ATOM 0 HG23 VAL A 9 52.083 94.637 80.185 1.00 0.00 H new ATOM 86 N GLU A 10 52.279 96.218 75.284 1.00 0.00 N ATOM 87 CA GLU A 10 52.740 97.054 74.138 1.00 0.00 C ATOM 88 C GLU A 10 51.688 98.116 73.814 1.00 0.00 C ATOM 89 O GLU A 10 50.517 97.825 73.658 1.00 0.00 O ATOM 90 CB GLU A 10 52.886 96.074 72.973 1.00 0.00 C ATOM 91 CG GLU A 10 53.407 96.817 71.737 1.00 0.00 C ATOM 92 CD GLU A 10 53.557 95.843 70.561 1.00 0.00 C ATOM 93 OE1 GLU A 10 53.636 94.648 70.802 1.00 0.00 O ATOM 94 OE2 GLU A 10 53.597 96.312 69.435 1.00 0.00 O ATOM 0 H GLU A 10 51.540 95.555 75.052 1.00 0.00 H new ATOM 0 HA GLU A 10 53.672 97.578 74.350 1.00 0.00 H new ATOM 0 HB2 GLU A 10 53.572 95.272 73.244 1.00 0.00 H new ATOM 0 HB3 GLU A 10 51.925 95.610 72.752 1.00 0.00 H new ATOM 0 HG2 GLU A 10 52.720 97.620 71.469 1.00 0.00 H new ATOM 0 HG3 GLU A 10 54.368 97.281 71.960 1.00 0.00 H new ATOM 101 N VAL A 11 52.112 99.348 73.714 1.00 26.88 N ATOM 102 CA VAL A 11 51.164 100.458 73.401 1.00 26.83 C ATOM 103 C VAL A 11 51.558 101.117 72.076 1.00 27.58 C ATOM 104 O VAL A 11 52.726 101.315 71.796 1.00 28.21 O ATOM 105 CB VAL A 11 51.302 101.448 74.563 1.00 26.28 C ATOM 106 CG1 VAL A 11 50.353 102.629 74.347 1.00 26.50 C ATOM 107 CG2 VAL A 11 50.945 100.750 75.878 1.00 25.75 C ATOM 0 H VAL A 11 53.083 99.635 73.837 1.00 26.88 H new ATOM 0 HA VAL A 11 50.137 100.110 73.294 1.00 26.83 H new ATOM 0 HB VAL A 11 52.330 101.808 74.607 1.00 26.28 H new ATOM 0 HG11 VAL A 11 50.453 103.332 75.174 1.00 26.50 H new ATOM 0 HG12 VAL A 11 50.603 103.131 73.412 1.00 26.50 H new ATOM 0 HG13 VAL A 11 49.326 102.267 74.300 1.00 26.50 H new ATOM 0 HG21 VAL A 11 51.044 101.456 76.703 1.00 25.75 H new ATOM 0 HG22 VAL A 11 49.918 100.388 75.831 1.00 25.75 H new ATOM 0 HG23 VAL A 11 51.619 99.908 76.038 1.00 25.75 H new ATOM 117 N GLU A 12 50.593 101.460 71.261 1.00 0.00 N ATOM 118 CA GLU A 12 50.899 102.108 69.951 1.00 0.00 C ATOM 119 C GLU A 12 50.229 103.483 69.883 1.00 0.00 C ATOM 120 O GLU A 12 49.088 103.648 70.271 1.00 0.00 O ATOM 121 CB GLU A 12 50.299 101.173 68.900 1.00 0.00 C ATOM 122 CG GLU A 12 51.114 99.880 68.843 1.00 0.00 C ATOM 123 CD GLU A 12 50.512 98.944 67.792 1.00 0.00 C ATOM 124 OE1 GLU A 12 49.578 98.233 68.125 1.00 0.00 O ATOM 125 OE2 GLU A 12 50.995 98.955 66.672 1.00 0.00 O ATOM 0 H GLU A 12 49.601 101.318 71.449 1.00 0.00 H new ATOM 0 HA GLU A 12 51.968 102.260 69.801 1.00 0.00 H new ATOM 0 HB2 GLU A 12 49.261 100.950 69.146 1.00 0.00 H new ATOM 0 HB3 GLU A 12 50.298 101.658 67.924 1.00 0.00 H new ATOM 0 HG2 GLU A 12 52.152 100.102 68.596 1.00 0.00 H new ATOM 0 HG3 GLU A 12 51.116 99.395 69.819 1.00 0.00 H new ATOM 132 N VAL A 13 50.938 104.471 69.398 1.00 26.55 N ATOM 133 CA VAL A 13 50.356 105.845 69.304 1.00 26.45 C ATOM 134 C VAL A 13 50.542 106.403 67.890 1.00 27.95 C ATOM 135 O VAL A 13 51.586 106.252 67.284 1.00 27.94 O ATOM 136 CB VAL A 13 51.130 106.684 70.328 1.00 25.67 C ATOM 137 CG1 VAL A 13 50.587 108.115 70.335 1.00 24.91 C ATOM 138 CG2 VAL A 13 50.965 106.073 71.724 1.00 26.97 C ATOM 0 H VAL A 13 51.897 104.385 69.062 1.00 26.55 H new ATOM 0 HA VAL A 13 49.285 105.853 69.507 1.00 26.45 H new ATOM 0 HB VAL A 13 52.186 106.696 70.058 1.00 25.67 H new ATOM 0 HG11 VAL A 13 51.138 108.710 71.063 1.00 24.91 H new ATOM 0 HG12 VAL A 13 50.705 108.554 69.344 1.00 24.91 H new ATOM 0 HG13 VAL A 13 49.530 108.102 70.602 1.00 24.91 H new ATOM 0 HG21 VAL A 13 51.516 106.671 72.450 1.00 26.97 H new ATOM 0 HG22 VAL A 13 49.909 106.059 71.992 1.00 26.97 H new ATOM 0 HG23 VAL A 13 51.353 105.054 71.724 1.00 26.97 H new ATOM 148 N SER A 14 49.526 107.044 67.364 1.00 0.00 N ATOM 149 CA SER A 14 49.623 107.613 65.986 1.00 0.00 C ATOM 150 C SER A 14 49.291 109.115 65.995 1.00 0.00 C ATOM 151 O SER A 14 48.139 109.491 66.104 1.00 0.00 O ATOM 152 CB SER A 14 48.592 106.840 65.165 1.00 0.00 C ATOM 153 OG SER A 14 48.916 105.456 65.187 1.00 0.00 O ATOM 0 H SER A 14 48.633 107.197 67.832 1.00 0.00 H new ATOM 0 HA SER A 14 50.628 107.519 65.575 1.00 0.00 H new ATOM 0 HB2 SER A 14 47.593 106.998 65.572 1.00 0.00 H new ATOM 0 HB3 SER A 14 48.579 107.206 64.138 1.00 0.00 H new ATOM 0 HG SER A 14 48.255 104.957 64.663 1.00 0.00 H new ATOM 159 N PRO A 15 50.318 109.927 65.872 1.00 28.75 N ATOM 160 CA PRO A 15 50.082 111.400 65.859 1.00 30.20 C ATOM 161 C PRO A 15 49.714 111.880 64.450 1.00 33.00 C ATOM 162 O PRO A 15 49.881 111.176 63.473 1.00 32.76 O ATOM 163 CB PRO A 15 51.414 111.998 66.299 1.00 29.34 C ATOM 164 CG PRO A 15 52.434 110.973 65.938 1.00 29.59 C ATOM 165 CD PRO A 15 51.757 109.631 66.020 1.00 28.91 C ATOM 0 HA PRO A 15 49.257 111.694 66.507 1.00 30.20 H new ATOM 0 HB2 PRO A 15 51.608 112.944 65.793 1.00 29.34 H new ATOM 0 HB3 PRO A 15 51.421 112.202 67.370 1.00 29.34 H new ATOM 0 HG2 PRO A 15 52.820 111.150 64.934 1.00 29.59 H new ATOM 0 HG3 PRO A 15 53.284 111.018 66.619 1.00 29.59 H new ATOM 0 HD2 PRO A 15 52.107 108.962 65.233 1.00 28.91 H new ATOM 0 HD3 PRO A 15 51.965 109.140 66.971 1.00 28.91 H new ATOM 173 N ARG A 16 49.202 113.082 64.355 1.00 34.77 N ATOM 174 CA ARG A 16 48.796 113.646 63.030 1.00 37.64 C ATOM 175 C ARG A 16 48.770 115.179 63.096 1.00 38.99 C ATOM 176 O ARG A 16 48.230 115.768 64.015 1.00 38.96 O ATOM 177 CB ARG A 16 47.395 113.086 62.755 1.00 40.22 C ATOM 178 CG ARG A 16 46.437 113.491 63.879 1.00 43.41 C ATOM 179 CD ARG A 16 45.101 112.768 63.698 1.00 47.90 C ATOM 180 NE ARG A 16 44.240 113.271 64.804 1.00 51.85 N ATOM 181 CZ ARG A 16 42.950 113.371 64.633 1.00 53.88 C ATOM 182 NH1 ARG A 16 42.458 114.366 63.947 1.00 54.10 N ATOM 183 NH2 ARG A 16 42.152 112.475 65.148 1.00 53.27 N ATOM 0 H ARG A 16 49.046 113.704 65.148 1.00 34.77 H new ATOM 0 HA ARG A 16 49.493 113.374 62.237 1.00 37.64 H new ATOM 0 HB2 ARG A 16 47.026 113.460 61.800 1.00 40.22 H new ATOM 0 HB3 ARG A 16 47.438 112.000 62.677 1.00 40.22 H new ATOM 0 HG2 ARG A 16 46.870 113.240 64.848 1.00 43.41 H new ATOM 0 HG3 ARG A 16 46.283 114.570 63.868 1.00 43.41 H new ATOM 0 HD2 ARG A 16 44.662 112.987 62.725 1.00 47.90 H new ATOM 0 HD3 ARG A 16 45.226 111.687 63.755 1.00 47.90 H new ATOM 0 HE ARG A 16 44.658 113.537 65.695 1.00 51.85 H new ATOM 0 HH11 ARG A 16 43.082 115.066 63.544 1.00 54.10 H new ATOM 0 HH12 ARG A 16 41.450 114.444 63.813 1.00 54.10 H new ATOM 0 HH21 ARG A 16 42.537 111.697 65.684 1.00 53.27 H new ATOM 0 HH22 ARG A 16 41.144 112.553 65.014 1.00 53.27 H new ATOM 197 N PHE A 17 49.371 115.817 62.126 1.00 0.00 N ATOM 198 CA PHE A 17 49.423 117.314 62.101 1.00 0.00 C ATOM 199 C PHE A 17 48.013 117.921 62.071 1.00 0.00 C ATOM 200 O PHE A 17 47.132 117.433 61.388 1.00 0.00 O ATOM 201 CB PHE A 17 50.172 117.657 60.810 1.00 0.00 C ATOM 202 CG PHE A 17 50.373 119.152 60.719 1.00 0.00 C ATOM 203 CD1 PHE A 17 51.338 119.778 61.518 1.00 0.00 C ATOM 204 CD2 PHE A 17 49.597 119.911 59.835 1.00 0.00 C ATOM 205 CE1 PHE A 17 51.526 121.163 61.433 1.00 0.00 C ATOM 206 CE2 PHE A 17 49.786 121.296 59.750 1.00 0.00 C ATOM 207 CZ PHE A 17 50.750 121.922 60.549 1.00 0.00 C ATOM 0 H PHE A 17 49.834 115.361 61.340 1.00 0.00 H new ATOM 0 HA PHE A 17 49.911 117.713 62.990 1.00 0.00 H new ATOM 0 HB2 PHE A 17 51.136 117.149 60.792 1.00 0.00 H new ATOM 0 HB3 PHE A 17 49.609 117.303 59.947 1.00 0.00 H new ATOM 0 HD1 PHE A 17 51.937 119.193 62.200 1.00 0.00 H new ATOM 0 HD2 PHE A 17 48.853 119.429 59.219 1.00 0.00 H new ATOM 0 HE1 PHE A 17 52.270 121.646 62.050 1.00 0.00 H new ATOM 0 HE2 PHE A 17 49.188 121.881 59.068 1.00 0.00 H new ATOM 0 HZ PHE A 17 50.895 122.990 60.483 1.00 0.00 H new ATOM 217 N LEU A 18 47.805 118.990 62.799 1.00 0.00 N ATOM 218 CA LEU A 18 46.464 119.653 62.815 1.00 0.00 C ATOM 219 C LEU A 18 46.560 121.066 62.231 1.00 0.00 C ATOM 220 O LEU A 18 46.596 122.052 62.939 1.00 0.00 O ATOM 221 CB LEU A 18 46.038 119.699 64.281 1.00 0.00 C ATOM 222 CG LEU A 18 45.745 118.282 64.778 1.00 0.00 C ATOM 223 CD1 LEU A 18 45.461 118.316 66.281 1.00 0.00 C ATOM 224 CD2 LEU A 18 44.523 117.727 64.040 1.00 0.00 C ATOM 0 H LEU A 18 48.511 119.435 63.386 1.00 0.00 H new ATOM 0 HA LEU A 18 45.739 119.110 62.209 1.00 0.00 H new ATOM 0 HB2 LEU A 18 46.825 120.151 64.884 1.00 0.00 H new ATOM 0 HB3 LEU A 18 45.152 120.324 64.393 1.00 0.00 H new ATOM 0 HG LEU A 18 46.608 117.644 64.587 1.00 0.00 H new ATOM 0 HD11 LEU A 18 45.252 117.306 66.635 1.00 0.00 H new ATOM 0 HD12 LEU A 18 46.330 118.712 66.807 1.00 0.00 H new ATOM 0 HD13 LEU A 18 44.598 118.954 66.474 1.00 0.00 H new ATOM 0 HD21 LEU A 18 44.313 116.717 64.393 1.00 0.00 H new ATOM 0 HD22 LEU A 18 43.661 118.366 64.232 1.00 0.00 H new ATOM 0 HD23 LEU A 18 44.725 117.703 62.969 1.00 0.00 H new ATOM 236 N ALA A 19 46.572 121.151 60.928 1.00 0.00 N ATOM 237 CA ALA A 19 46.634 122.474 60.228 1.00 0.00 C ATOM 238 C ALA A 19 45.361 123.288 60.476 1.00 0.00 C ATOM 239 O ALA A 19 45.407 124.500 60.578 1.00 0.00 O ATOM 240 CB ALA A 19 46.724 122.118 58.742 1.00 0.00 C ATOM 0 H ALA A 19 46.541 120.345 60.304 1.00 0.00 H new ATOM 0 HA ALA A 19 47.472 123.076 60.580 1.00 0.00 H new ATOM 0 HB1 ALA A 19 46.774 123.033 58.151 1.00 0.00 H new ATOM 0 HB2 ALA A 19 47.619 121.522 58.564 1.00 0.00 H new ATOM 0 HB3 ALA A 19 45.843 121.545 58.451 1.00 0.00 H new ATOM 246 N HIS A 20 44.228 122.640 60.554 1.00 0.00 N ATOM 247 CA HIS A 20 42.950 123.388 60.775 1.00 0.00 C ATOM 248 C HIS A 20 42.893 123.969 62.193 1.00 0.00 C ATOM 249 O HIS A 20 42.185 124.927 62.444 1.00 0.00 O ATOM 250 CB HIS A 20 41.835 122.363 60.564 1.00 0.00 C ATOM 251 CG HIS A 20 40.509 123.070 60.508 1.00 0.00 C ATOM 252 ND1 HIS A 20 40.220 124.024 59.546 1.00 0.00 N ATOM 253 CD2 HIS A 20 39.383 122.972 61.288 1.00 0.00 C ATOM 254 CE1 HIS A 20 38.966 124.459 59.768 1.00 0.00 C ATOM 255 NE2 HIS A 20 38.410 123.849 60.819 1.00 0.00 N ATOM 0 H HIS A 20 44.130 121.628 60.475 1.00 0.00 H new ATOM 0 HA HIS A 20 42.857 124.233 60.092 1.00 0.00 H new ATOM 0 HB2 HIS A 20 42.004 121.811 59.640 1.00 0.00 H new ATOM 0 HB3 HIS A 20 41.837 121.635 61.375 1.00 0.00 H new ATOM 0 HD2 HIS A 20 39.270 122.314 62.137 1.00 0.00 H new ATOM 0 HE1 HIS A 20 38.470 125.209 59.170 1.00 0.00 H new ATOM 0 HE2 HIS A 20 37.474 123.995 61.196 1.00 0.00 H new ATOM 263 N GLN A 21 43.621 123.398 63.120 1.00 51.13 N ATOM 264 CA GLN A 21 43.594 123.920 64.520 1.00 51.59 C ATOM 265 C GLN A 21 44.993 124.347 64.976 1.00 51.55 C ATOM 266 O GLN A 21 45.340 124.201 66.135 1.00 51.24 O ATOM 267 CB GLN A 21 43.091 122.750 65.366 1.00 52.27 C ATOM 268 CG GLN A 21 41.613 122.498 65.063 1.00 52.27 C ATOM 269 CD GLN A 21 41.111 121.327 65.910 1.00 52.27 C ATOM 270 OE1 GLN A 21 41.800 120.339 66.071 1.00 52.37 O ATOM 271 NE2 GLN A 21 39.930 121.396 66.462 1.00 51.79 N ATOM 0 H GLN A 21 44.231 122.595 62.968 1.00 51.13 H new ATOM 0 HA GLN A 21 42.959 124.801 64.611 1.00 51.59 H new ATOM 0 HB2 GLN A 21 43.675 121.855 65.151 1.00 52.27 H new ATOM 0 HB3 GLN A 21 43.223 122.970 66.425 1.00 52.27 H new ATOM 0 HG2 GLN A 21 41.029 123.393 65.278 1.00 52.27 H new ATOM 0 HG3 GLN A 21 41.480 122.278 64.004 1.00 52.27 H new ATOM 0 HE21 GLN A 21 39.352 122.225 66.327 1.00 51.79 H new ATOM 0 HE22 GLN A 21 39.586 120.621 67.028 1.00 51.79 H new ATOM 280 N SER A 22 45.799 124.872 64.084 1.00 52.26 N ATOM 281 CA SER A 22 47.173 125.304 64.486 1.00 52.76 C ATOM 282 C SER A 22 47.718 126.371 63.530 1.00 51.68 C ATOM 283 O SER A 22 47.428 126.364 62.349 1.00 52.15 O ATOM 284 CB SER A 22 48.025 124.038 64.416 1.00 53.63 C ATOM 285 OG SER A 22 48.375 123.772 63.062 1.00 55.19 O ATOM 0 H SER A 22 45.566 125.019 63.102 1.00 52.26 H new ATOM 0 HA SER A 22 47.179 125.751 65.480 1.00 52.76 H new ATOM 0 HB2 SER A 22 48.926 124.160 65.018 1.00 53.63 H new ATOM 0 HB3 SER A 22 47.475 123.194 64.833 1.00 53.63 H new ATOM 0 HG SER A 22 47.733 123.140 62.676 1.00 55.19 H new ATOM 291 N THR A 23 48.523 127.271 64.034 1.00 0.00 N ATOM 292 CA THR A 23 49.117 128.332 63.164 1.00 0.00 C ATOM 293 C THR A 23 50.648 128.200 63.186 1.00 0.00 C ATOM 294 O THR A 23 51.306 128.743 64.052 1.00 0.00 O ATOM 295 CB THR A 23 48.665 129.673 63.767 1.00 0.00 C ATOM 296 OG1 THR A 23 49.278 130.736 63.051 1.00 0.00 O ATOM 297 CG2 THR A 23 49.059 129.763 65.246 1.00 0.00 C ATOM 0 H THR A 23 48.796 127.317 65.016 1.00 0.00 H new ATOM 0 HA THR A 23 48.796 128.252 62.125 1.00 0.00 H new ATOM 0 HB THR A 23 47.580 129.745 63.691 1.00 0.00 H new ATOM 0 HG1 THR A 23 48.992 131.593 63.430 1.00 0.00 H new ATOM 0 HG21 THR A 23 48.730 130.719 65.653 1.00 0.00 H new ATOM 0 HG22 THR A 23 48.586 128.951 65.799 1.00 0.00 H new ATOM 0 HG23 THR A 23 50.142 129.682 65.340 1.00 0.00 H new ATOM 305 N PRO A 24 51.163 127.452 62.236 1.00 49.88 N ATOM 306 CA PRO A 24 52.640 127.244 62.200 1.00 51.02 C ATOM 307 C PRO A 24 53.387 128.549 61.907 1.00 51.50 C ATOM 308 O PRO A 24 54.551 128.686 62.235 1.00 51.57 O ATOM 309 CB PRO A 24 52.845 126.247 61.062 1.00 51.23 C ATOM 310 CG PRO A 24 51.666 126.435 60.171 1.00 51.05 C ATOM 311 CD PRO A 24 50.521 126.848 61.053 1.00 49.44 C ATOM 0 HA PRO A 24 53.026 126.890 63.156 1.00 51.02 H new ATOM 0 HB2 PRO A 24 53.777 126.440 60.530 1.00 51.23 H new ATOM 0 HB3 PRO A 24 52.898 125.225 61.437 1.00 51.23 H new ATOM 0 HG2 PRO A 24 51.868 127.196 59.417 1.00 51.05 H new ATOM 0 HG3 PRO A 24 51.432 125.513 59.639 1.00 51.05 H new ATOM 0 HD2 PRO A 24 49.869 127.561 60.548 1.00 49.44 H new ATOM 0 HD3 PRO A 24 49.905 125.993 61.330 1.00 49.44 H new ATOM 319 N ASP A 25 52.738 129.499 61.285 1.00 0.00 N ATOM 320 CA ASP A 25 53.428 130.789 60.963 1.00 0.00 C ATOM 321 C ASP A 25 53.789 131.550 62.246 1.00 0.00 C ATOM 322 O ASP A 25 54.678 132.382 62.244 1.00 0.00 O ATOM 323 CB ASP A 25 52.443 131.585 60.107 1.00 0.00 C ATOM 324 CG ASP A 25 53.149 132.811 59.521 1.00 0.00 C ATOM 325 OD1 ASP A 25 53.466 133.707 60.285 1.00 0.00 O ATOM 326 OD2 ASP A 25 53.360 132.829 58.321 1.00 0.00 O ATOM 0 H ASP A 25 51.764 129.440 60.986 1.00 0.00 H new ATOM 0 HA ASP A 25 54.366 130.621 60.434 1.00 0.00 H new ATOM 0 HB2 ASP A 25 52.054 130.958 59.305 1.00 0.00 H new ATOM 0 HB3 ASP A 25 51.590 131.897 60.710 1.00 0.00 H new ATOM 331 N GLU A 26 53.114 131.279 63.336 1.00 0.00 N ATOM 332 CA GLU A 26 53.430 131.997 64.611 1.00 0.00 C ATOM 333 C GLU A 26 54.175 131.072 65.584 1.00 0.00 C ATOM 334 O GLU A 26 54.154 131.278 66.783 1.00 0.00 O ATOM 335 CB GLU A 26 52.071 132.395 65.187 1.00 0.00 C ATOM 336 CG GLU A 26 51.449 133.490 64.319 1.00 0.00 C ATOM 337 CD GLU A 26 52.289 134.764 64.424 1.00 0.00 C ATOM 338 OE1 GLU A 26 52.425 135.271 65.526 1.00 0.00 O ATOM 339 OE2 GLU A 26 52.783 135.211 63.402 1.00 0.00 O ATOM 0 H GLU A 26 52.361 130.594 63.399 1.00 0.00 H new ATOM 0 HA GLU A 26 54.075 132.859 64.444 1.00 0.00 H new ATOM 0 HB2 GLU A 26 51.412 131.528 65.224 1.00 0.00 H new ATOM 0 HB3 GLU A 26 52.188 132.750 66.211 1.00 0.00 H new ATOM 0 HG2 GLU A 26 51.397 133.161 63.281 1.00 0.00 H new ATOM 0 HG3 GLU A 26 50.427 133.688 64.642 1.00 0.00 H new ATOM 346 N GLY A 27 54.830 130.057 65.077 1.00 0.00 N ATOM 347 CA GLY A 27 55.578 129.116 65.966 1.00 0.00 C ATOM 348 C GLY A 27 54.591 128.325 66.830 1.00 0.00 C ATOM 349 O GLY A 27 54.914 127.901 67.925 1.00 0.00 O ATOM 0 H GLY A 27 54.879 129.839 64.082 1.00 0.00 H new ATOM 0 HA2 GLY A 27 56.178 128.433 65.365 1.00 0.00 H new ATOM 0 HA3 GLY A 27 56.268 129.672 66.601 1.00 0.00 H new ATOM 353 N ARG A 28 53.394 128.125 66.344 1.00 0.00 N ATOM 354 CA ARG A 28 52.376 127.361 67.125 1.00 0.00 C ATOM 355 C ARG A 28 51.905 126.142 66.328 1.00 0.00 C ATOM 356 O ARG A 28 50.993 126.229 65.526 1.00 0.00 O ATOM 357 CB ARG A 28 51.226 128.342 67.352 1.00 0.00 C ATOM 358 CG ARG A 28 51.325 128.937 68.760 1.00 0.00 C ATOM 359 CD ARG A 28 50.111 129.831 69.031 1.00 0.00 C ATOM 360 NE ARG A 28 50.627 131.225 68.938 1.00 0.00 N ATOM 361 CZ ARG A 28 50.672 131.976 70.006 1.00 0.00 C ATOM 362 NH1 ARG A 28 49.568 132.310 70.615 1.00 0.00 N ATOM 363 NH2 ARG A 28 51.821 132.393 70.462 1.00 0.00 N ATOM 0 H ARG A 28 53.076 128.460 65.435 1.00 0.00 H new ATOM 0 HA ARG A 28 52.774 126.985 68.067 1.00 0.00 H new ATOM 0 HB2 ARG A 28 51.261 129.137 66.607 1.00 0.00 H new ATOM 0 HB3 ARG A 28 50.271 127.832 67.229 1.00 0.00 H new ATOM 0 HG2 ARG A 28 51.372 128.138 69.500 1.00 0.00 H new ATOM 0 HG3 ARG A 28 52.243 129.516 68.857 1.00 0.00 H new ATOM 0 HD2 ARG A 28 49.320 129.654 68.302 1.00 0.00 H new ATOM 0 HD3 ARG A 28 49.687 129.632 70.015 1.00 0.00 H new ATOM 0 HE ARG A 28 50.945 131.593 68.041 1.00 0.00 H new ATOM 0 HH11 ARG A 28 48.670 131.985 70.257 1.00 0.00 H new ATOM 0 HH12 ARG A 28 49.603 132.896 71.449 1.00 0.00 H new ATOM 0 HH21 ARG A 28 52.684 132.133 69.985 1.00 0.00 H new ATOM 0 HH22 ARG A 28 51.856 132.979 71.296 1.00 0.00 H new ATOM 377 N TYR A 29 52.513 125.003 66.554 1.00 46.07 N ATOM 378 CA TYR A 29 52.100 123.765 65.825 1.00 43.41 C ATOM 379 C TYR A 29 51.286 122.872 66.768 1.00 41.37 C ATOM 380 O TYR A 29 51.640 122.689 67.918 1.00 39.95 O ATOM 381 CB TYR A 29 53.404 123.065 65.425 1.00 43.56 C ATOM 382 CG TYR A 29 54.273 123.998 64.609 1.00 42.53 C ATOM 383 CD1 TYR A 29 55.095 124.927 65.256 1.00 41.55 C ATOM 384 CD2 TYR A 29 54.261 123.927 63.211 1.00 44.01 C ATOM 385 CE1 TYR A 29 55.905 125.789 64.506 1.00 42.67 C ATOM 386 CE2 TYR A 29 55.071 124.789 62.460 1.00 42.98 C ATOM 387 CZ TYR A 29 55.893 125.719 63.108 1.00 43.35 C ATOM 388 OH TYR A 29 56.692 126.567 62.368 1.00 43.13 O ATOM 0 H TYR A 29 53.280 124.878 67.214 1.00 46.07 H new ATOM 0 HA TYR A 29 51.483 123.983 64.953 1.00 43.41 H new ATOM 0 HB2 TYR A 29 53.941 122.745 66.318 1.00 43.56 H new ATOM 0 HB3 TYR A 29 53.181 122.168 64.848 1.00 43.56 H new ATOM 0 HD1 TYR A 29 55.105 124.979 66.335 1.00 41.55 H new ATOM 0 HD2 TYR A 29 53.628 123.208 62.712 1.00 44.01 H new ATOM 0 HE1 TYR A 29 56.538 126.507 65.006 1.00 42.67 H new ATOM 0 HE2 TYR A 29 55.061 124.736 61.381 1.00 42.98 H new ATOM 0 HH TYR A 29 56.206 127.399 62.187 1.00 43.13 H new ATOM 398 N ALA A 30 50.191 122.333 66.295 1.00 0.00 N ATOM 399 CA ALA A 30 49.346 121.468 67.175 1.00 0.00 C ATOM 400 C ALA A 30 49.329 120.021 66.676 1.00 0.00 C ATOM 401 O ALA A 30 48.913 119.743 65.568 1.00 0.00 O ATOM 402 CB ALA A 30 47.946 122.079 67.108 1.00 0.00 C ATOM 0 H ALA A 30 49.846 122.453 65.343 1.00 0.00 H new ATOM 0 HA ALA A 30 49.731 121.433 68.194 1.00 0.00 H new ATOM 0 HB1 ALA A 30 47.265 121.498 67.730 1.00 0.00 H new ATOM 0 HB2 ALA A 30 47.980 123.107 67.469 1.00 0.00 H new ATOM 0 HB3 ALA A 30 47.593 122.068 66.077 1.00 0.00 H new ATOM 408 N PHE A 31 49.767 119.098 67.495 1.00 36.58 N ATOM 409 CA PHE A 31 49.765 117.661 67.085 1.00 36.29 C ATOM 410 C PHE A 31 48.819 116.865 67.989 1.00 35.25 C ATOM 411 O PHE A 31 48.887 116.964 69.200 1.00 34.09 O ATOM 412 CB PHE A 31 51.203 117.176 67.279 1.00 36.39 C ATOM 413 CG PHE A 31 52.112 117.836 66.272 1.00 38.07 C ATOM 414 CD1 PHE A 31 52.670 119.089 66.547 1.00 38.88 C ATOM 415 CD2 PHE A 31 52.400 117.192 65.062 1.00 37.33 C ATOM 416 CE1 PHE A 31 53.516 119.699 65.615 1.00 37.40 C ATOM 417 CE2 PHE A 31 53.247 117.802 64.129 1.00 37.25 C ATOM 418 CZ PHE A 31 53.806 119.056 64.405 1.00 36.45 C ATOM 0 H PHE A 31 50.127 119.279 68.432 1.00 36.58 H new ATOM 0 HA PHE A 31 49.429 117.531 66.056 1.00 36.29 H new ATOM 0 HB2 PHE A 31 51.539 117.406 68.290 1.00 36.39 H new ATOM 0 HB3 PHE A 31 51.248 116.093 67.167 1.00 36.39 H new ATOM 0 HD1 PHE A 31 52.447 119.586 67.480 1.00 38.88 H new ATOM 0 HD2 PHE A 31 51.969 116.225 64.849 1.00 37.33 H new ATOM 0 HE1 PHE A 31 53.946 120.666 65.829 1.00 37.40 H new ATOM 0 HE2 PHE A 31 53.469 117.305 63.196 1.00 37.25 H new ATOM 0 HZ PHE A 31 54.460 119.527 63.686 1.00 36.45 H new ATOM 428 N ALA A 32 47.956 116.062 67.420 1.00 34.06 N ATOM 429 CA ALA A 32 47.024 115.239 68.249 1.00 32.35 C ATOM 430 C ALA A 32 47.375 113.763 68.060 1.00 31.25 C ATOM 431 O ALA A 32 47.553 113.310 66.944 1.00 31.96 O ATOM 432 CB ALA A 32 45.629 115.535 67.698 1.00 32.65 C ATOM 0 H ALA A 32 47.857 115.941 66.412 1.00 34.06 H new ATOM 0 HA ALA A 32 47.085 115.466 69.313 1.00 32.35 H new ATOM 0 HB1 ALA A 32 44.888 114.965 68.258 1.00 32.65 H new ATOM 0 HB2 ALA A 32 45.418 116.600 67.796 1.00 32.65 H new ATOM 0 HB3 ALA A 32 45.586 115.252 66.646 1.00 32.65 H new ATOM 438 N TYR A 33 47.497 113.010 69.127 1.00 29.03 N ATOM 439 CA TYR A 33 47.860 111.567 68.964 1.00 27.15 C ATOM 440 C TYR A 33 46.887 110.655 69.713 1.00 26.72 C ATOM 441 O TYR A 33 46.386 110.995 70.768 1.00 28.24 O ATOM 442 CB TYR A 33 49.283 111.437 69.521 1.00 26.09 C ATOM 443 CG TYR A 33 49.321 111.807 70.987 1.00 26.79 C ATOM 444 CD1 TYR A 33 49.117 110.822 71.960 1.00 25.37 C ATOM 445 CD2 TYR A 33 49.574 113.128 71.370 1.00 24.81 C ATOM 446 CE1 TYR A 33 49.167 111.159 73.318 1.00 25.85 C ATOM 447 CE2 TYR A 33 49.621 113.465 72.728 1.00 25.46 C ATOM 448 CZ TYR A 33 49.419 112.481 73.701 1.00 27.60 C ATOM 449 OH TYR A 33 49.472 112.813 75.040 1.00 28.81 O ATOM 0 H TYR A 33 47.364 113.325 70.088 1.00 29.03 H new ATOM 0 HA TYR A 33 47.807 111.260 67.920 1.00 27.15 H new ATOM 0 HB2 TYR A 33 49.638 110.415 69.390 1.00 26.09 H new ATOM 0 HB3 TYR A 33 49.958 112.083 68.960 1.00 26.09 H new ATOM 0 HD1 TYR A 33 48.921 109.802 71.663 1.00 25.37 H new ATOM 0 HD2 TYR A 33 49.733 113.888 70.619 1.00 24.81 H new ATOM 0 HE1 TYR A 33 49.011 110.399 74.069 1.00 25.85 H new ATOM 0 HE2 TYR A 33 49.813 114.486 73.024 1.00 25.46 H new ATOM 0 HH TYR A 33 48.580 112.722 75.435 1.00 28.81 H new ATOM 459 N SER A 34 46.628 109.492 69.171 1.00 0.00 N ATOM 460 CA SER A 34 45.699 108.535 69.839 1.00 0.00 C ATOM 461 C SER A 34 46.516 107.449 70.540 1.00 0.00 C ATOM 462 O SER A 34 47.528 107.007 70.037 1.00 0.00 O ATOM 463 CB SER A 34 44.859 107.938 68.711 1.00 0.00 C ATOM 464 OG SER A 34 43.936 107.004 69.257 1.00 0.00 O ATOM 0 H SER A 34 47.023 109.164 68.290 1.00 0.00 H new ATOM 0 HA SER A 34 45.071 109.010 70.592 1.00 0.00 H new ATOM 0 HB2 SER A 34 44.325 108.728 68.182 1.00 0.00 H new ATOM 0 HB3 SER A 34 45.504 107.446 67.983 1.00 0.00 H new ATOM 0 HG SER A 34 43.394 106.620 68.536 1.00 0.00 H new ATOM 470 N ILE A 35 46.096 107.039 71.707 1.00 0.00 N ATOM 471 CA ILE A 35 46.856 106.001 72.469 1.00 0.00 C ATOM 472 C ILE A 35 46.154 104.637 72.428 1.00 0.00 C ATOM 473 O ILE A 35 44.964 104.521 72.653 1.00 0.00 O ATOM 474 CB ILE A 35 46.880 106.542 73.909 1.00 0.00 C ATOM 475 CG1 ILE A 35 47.592 107.909 73.937 1.00 0.00 C ATOM 476 CG2 ILE A 35 47.619 105.563 74.829 1.00 0.00 C ATOM 477 CD1 ILE A 35 49.027 107.778 73.409 1.00 0.00 C ATOM 0 H ILE A 35 45.253 107.380 72.170 1.00 0.00 H new ATOM 0 HA ILE A 35 47.849 105.837 72.051 1.00 0.00 H new ATOM 0 HB ILE A 35 45.854 106.656 74.260 1.00 0.00 H new ATOM 0 HG12 ILE A 35 47.039 108.626 73.330 1.00 0.00 H new ATOM 0 HG13 ILE A 35 47.607 108.297 74.955 1.00 0.00 H new ATOM 0 HG21 ILE A 35 47.630 105.956 75.845 1.00 0.00 H new ATOM 0 HG22 ILE A 35 47.110 104.599 74.818 1.00 0.00 H new ATOM 0 HG23 ILE A 35 48.643 105.437 74.478 1.00 0.00 H new ATOM 0 HD11 ILE A 35 49.515 108.752 73.436 1.00 0.00 H new ATOM 0 HD12 ILE A 35 49.582 107.077 74.033 1.00 0.00 H new ATOM 0 HD13 ILE A 35 49.005 107.411 72.383 1.00 0.00 H new ATOM 489 N ARG A 36 46.907 103.607 72.135 1.00 25.30 N ATOM 490 CA ARG A 36 46.333 102.230 72.065 1.00 25.64 C ATOM 491 C ARG A 36 47.088 101.303 73.023 1.00 23.79 C ATOM 492 O ARG A 36 48.156 100.812 72.718 1.00 25.11 O ATOM 493 CB ARG A 36 46.539 101.790 70.615 1.00 28.66 C ATOM 494 CG ARG A 36 45.623 102.604 69.699 1.00 34.24 C ATOM 495 CD ARG A 36 45.829 102.162 68.248 1.00 37.45 C ATOM 496 NE ARG A 36 44.928 103.037 67.449 1.00 40.12 N ATOM 497 CZ ARG A 36 45.335 103.525 66.309 1.00 40.24 C ATOM 498 NH1 ARG A 36 45.413 102.754 65.259 1.00 39.07 N ATOM 499 NH2 ARG A 36 45.664 104.785 66.219 1.00 39.81 N ATOM 0 H ARG A 36 47.906 103.663 71.939 1.00 25.30 H new ATOM 0 HA ARG A 36 45.282 102.200 72.352 1.00 25.64 H new ATOM 0 HB2 ARG A 36 47.580 101.932 70.325 1.00 28.66 H new ATOM 0 HB3 ARG A 36 46.322 100.727 70.512 1.00 28.66 H new ATOM 0 HG2 ARG A 36 44.582 102.462 69.989 1.00 34.24 H new ATOM 0 HG3 ARG A 36 45.841 103.667 69.801 1.00 34.24 H new ATOM 0 HD2 ARG A 36 46.868 102.281 67.942 1.00 37.45 H new ATOM 0 HD3 ARG A 36 45.577 101.110 68.116 1.00 37.45 H new ATOM 0 HE ARG A 36 43.993 103.255 67.792 1.00 40.12 H new ATOM 0 HH11 ARG A 36 45.156 101.769 65.329 1.00 39.07 H new ATOM 0 HH12 ARG A 36 45.731 103.136 64.368 1.00 39.07 H new ATOM 0 HH21 ARG A 36 45.603 105.388 67.039 1.00 39.81 H new ATOM 0 HH22 ARG A 36 45.982 105.167 65.328 1.00 39.81 H new ATOM 513 N ILE A 37 46.533 101.073 74.182 1.00 20.73 N ATOM 514 CA ILE A 37 47.191 100.189 75.195 1.00 18.17 C ATOM 515 C ILE A 37 46.727 98.736 75.031 1.00 17.71 C ATOM 516 O ILE A 37 45.567 98.425 75.210 1.00 15.34 O ATOM 517 CB ILE A 37 46.734 100.744 76.552 1.00 15.47 C ATOM 518 CG1 ILE A 37 47.168 102.208 76.682 1.00 14.77 C ATOM 519 CG2 ILE A 37 47.367 99.931 77.689 1.00 14.36 C ATOM 520 CD1 ILE A 37 46.484 102.837 77.899 1.00 16.07 C ATOM 0 H ILE A 37 45.638 101.465 74.477 1.00 20.73 H new ATOM 0 HA ILE A 37 48.276 100.184 75.091 1.00 18.17 H new ATOM 0 HB ILE A 37 45.648 100.674 76.615 1.00 15.47 H new ATOM 0 HG12 ILE A 37 48.251 102.269 76.788 1.00 14.77 H new ATOM 0 HG13 ILE A 37 46.905 102.758 75.779 1.00 14.77 H new ATOM 0 HG21 ILE A 37 47.038 100.330 78.649 1.00 14.36 H new ATOM 0 HG22 ILE A 37 47.060 98.888 77.606 1.00 14.36 H new ATOM 0 HG23 ILE A 37 48.453 99.996 77.622 1.00 14.36 H new ATOM 0 HD11 ILE A 37 46.792 103.878 77.992 1.00 16.07 H new ATOM 0 HD12 ILE A 37 45.402 102.789 77.774 1.00 16.07 H new ATOM 0 HD13 ILE A 37 46.770 102.292 78.799 1.00 16.07 H new ATOM 532 N GLN A 38 47.635 97.846 74.716 1.00 0.00 N ATOM 533 CA GLN A 38 47.265 96.404 74.567 1.00 0.00 C ATOM 534 C GLN A 38 48.027 95.572 75.606 1.00 0.00 C ATOM 535 O GLN A 38 49.215 95.745 75.807 1.00 0.00 O ATOM 536 CB GLN A 38 47.675 96.019 73.145 1.00 0.00 C ATOM 537 CG GLN A 38 47.225 94.586 72.854 1.00 0.00 C ATOM 538 CD GLN A 38 47.489 94.255 71.384 1.00 0.00 C ATOM 539 OE1 GLN A 38 46.643 94.471 70.539 1.00 0.00 O ATOM 540 NE2 GLN A 38 48.636 93.735 71.041 1.00 0.00 N ATOM 0 H GLN A 38 48.620 98.057 74.555 1.00 0.00 H new ATOM 0 HA GLN A 38 46.202 96.226 74.728 1.00 0.00 H new ATOM 0 HB2 GLN A 38 47.226 96.705 72.427 1.00 0.00 H new ATOM 0 HB3 GLN A 38 48.756 96.102 73.032 1.00 0.00 H new ATOM 0 HG2 GLN A 38 47.761 93.888 73.497 1.00 0.00 H new ATOM 0 HG3 GLN A 38 46.164 94.474 73.078 1.00 0.00 H new ATOM 0 HE21 GLN A 38 49.346 93.554 71.750 1.00 0.00 H new ATOM 0 HE22 GLN A 38 48.822 93.510 70.064 1.00 0.00 H new ATOM 549 N ASN A 39 47.337 94.680 76.274 1.00 15.86 N ATOM 550 CA ASN A 39 48.004 93.840 77.317 1.00 17.88 C ATOM 551 C ASN A 39 48.460 92.501 76.727 1.00 18.37 C ATOM 552 O ASN A 39 47.653 91.698 76.298 1.00 18.69 O ATOM 553 CB ASN A 39 46.949 93.623 78.403 1.00 19.10 C ATOM 554 CG ASN A 39 47.582 92.906 79.598 1.00 21.34 C ATOM 555 OD1 ASN A 39 48.431 92.053 79.430 1.00 20.99 O ATOM 556 ND2 ASN A 39 47.204 93.220 80.806 1.00 19.13 N ATOM 0 H ASN A 39 46.342 94.498 76.142 1.00 15.86 H new ATOM 0 HA ASN A 39 48.897 94.324 77.713 1.00 17.88 H new ATOM 0 HB2 ASN A 39 46.535 94.581 78.718 1.00 19.10 H new ATOM 0 HB3 ASN A 39 46.122 93.033 78.008 1.00 19.10 H new ATOM 0 HD21 ASN A 39 47.621 92.750 81.609 1.00 19.13 H new ATOM 0 HD22 ASN A 39 46.491 93.936 80.947 1.00 19.13 H new ATOM 563 N ALA A 40 49.744 92.246 76.724 1.00 0.00 N ATOM 564 CA ALA A 40 50.255 90.947 76.188 1.00 0.00 C ATOM 565 C ALA A 40 50.890 90.113 77.315 1.00 0.00 C ATOM 566 O ALA A 40 51.573 89.139 77.058 1.00 0.00 O ATOM 567 CB ALA A 40 51.299 91.327 75.138 1.00 0.00 C ATOM 0 H ALA A 40 50.462 92.882 77.070 1.00 0.00 H new ATOM 0 HA ALA A 40 49.458 90.338 75.761 1.00 0.00 H new ATOM 0 HB1 ALA A 40 51.720 90.422 74.699 1.00 0.00 H new ATOM 0 HB2 ALA A 40 50.829 91.924 74.357 1.00 0.00 H new ATOM 0 HB3 ALA A 40 52.094 91.906 75.608 1.00 0.00 H new ATOM 573 N GLY A 41 50.669 90.483 78.557 1.00 27.60 N ATOM 574 CA GLY A 41 51.256 89.707 79.689 1.00 28.62 C ATOM 575 C GLY A 41 50.353 88.517 80.015 1.00 29.10 C ATOM 576 O GLY A 41 49.365 88.278 79.346 1.00 28.18 O ATOM 0 H GLY A 41 50.107 91.289 78.831 1.00 27.60 H new ATOM 0 HA2 GLY A 41 52.254 89.358 79.425 1.00 28.62 H new ATOM 0 HA3 GLY A 41 51.363 90.346 80.565 1.00 28.62 H new ATOM 580 N ALA A 42 50.685 87.770 81.039 1.00 0.00 N ATOM 581 CA ALA A 42 49.845 86.595 81.412 1.00 0.00 C ATOM 582 C ALA A 42 48.921 86.965 82.571 1.00 0.00 C ATOM 583 O ALA A 42 47.804 86.496 82.672 1.00 0.00 O ATOM 584 CB ALA A 42 50.841 85.518 81.844 1.00 0.00 C ATOM 0 H ALA A 42 51.501 87.925 81.631 1.00 0.00 H new ATOM 0 HA ALA A 42 49.212 86.257 80.591 1.00 0.00 H new ATOM 0 HB1 ALA A 42 50.300 84.618 82.135 1.00 0.00 H new ATOM 0 HB2 ALA A 42 51.510 85.287 81.015 1.00 0.00 H new ATOM 0 HB3 ALA A 42 51.424 85.880 82.691 1.00 0.00 H new ATOM 590 N VAL A 43 49.396 87.813 83.439 1.00 0.00 N ATOM 591 CA VAL A 43 48.578 88.249 84.613 1.00 0.00 C ATOM 592 C VAL A 43 48.054 89.673 84.373 1.00 0.00 C ATOM 593 O VAL A 43 48.754 90.500 83.822 1.00 0.00 O ATOM 594 CB VAL A 43 49.551 88.205 85.799 1.00 0.00 C ATOM 595 CG1 VAL A 43 48.857 88.686 87.075 1.00 0.00 C ATOM 596 CG2 VAL A 43 50.045 86.771 86.005 1.00 0.00 C ATOM 0 H VAL A 43 50.326 88.229 83.388 1.00 0.00 H new ATOM 0 HA VAL A 43 47.706 87.619 84.788 1.00 0.00 H new ATOM 0 HB VAL A 43 50.395 88.860 85.583 1.00 0.00 H new ATOM 0 HG11 VAL A 43 49.560 88.649 87.907 1.00 0.00 H new ATOM 0 HG12 VAL A 43 48.511 89.710 86.937 1.00 0.00 H new ATOM 0 HG13 VAL A 43 48.005 88.042 87.291 1.00 0.00 H new ATOM 0 HG21 VAL A 43 50.736 86.742 86.848 1.00 0.00 H new ATOM 0 HG22 VAL A 43 49.195 86.119 86.209 1.00 0.00 H new ATOM 0 HG23 VAL A 43 50.556 86.429 85.105 1.00 0.00 H new ATOM 606 N PRO A 44 46.825 89.914 84.788 1.00 21.08 N ATOM 607 CA PRO A 44 46.244 91.282 84.577 1.00 21.01 C ATOM 608 C PRO A 44 47.160 92.378 85.138 1.00 21.95 C ATOM 609 O PRO A 44 47.819 92.202 86.149 1.00 21.40 O ATOM 610 CB PRO A 44 44.911 91.240 85.323 1.00 20.53 C ATOM 611 CG PRO A 44 45.092 90.167 86.336 1.00 18.90 C ATOM 612 CD PRO A 44 45.942 89.125 85.668 1.00 19.89 C ATOM 0 HA PRO A 44 46.125 91.521 83.520 1.00 21.01 H new ATOM 0 HB2 PRO A 44 44.688 92.198 85.793 1.00 20.53 H new ATOM 0 HB3 PRO A 44 44.084 91.016 84.649 1.00 20.53 H new ATOM 0 HG2 PRO A 44 45.576 90.552 87.234 1.00 18.90 H new ATOM 0 HG3 PRO A 44 44.132 89.752 86.644 1.00 18.90 H new ATOM 0 HD2 PRO A 44 46.512 88.546 86.394 1.00 19.89 H new ATOM 0 HD3 PRO A 44 45.338 88.417 85.100 1.00 19.89 H new ATOM 620 N ALA A 45 47.206 93.505 84.471 1.00 20.91 N ATOM 621 CA ALA A 45 48.079 94.623 84.930 1.00 19.47 C ATOM 622 C ALA A 45 47.351 95.970 84.838 1.00 19.21 C ATOM 623 O ALA A 45 46.476 96.171 84.013 1.00 19.53 O ATOM 624 CB ALA A 45 49.268 94.602 83.970 1.00 18.37 C ATOM 0 H ALA A 45 46.672 93.697 83.623 1.00 20.91 H new ATOM 0 HA ALA A 45 48.374 94.503 85.972 1.00 19.47 H new ATOM 0 HB1 ALA A 45 49.965 95.397 84.236 1.00 18.37 H new ATOM 0 HB2 ALA A 45 49.773 93.639 84.038 1.00 18.37 H new ATOM 0 HB3 ALA A 45 48.915 94.756 82.950 1.00 18.37 H new ATOM 630 N ARG A 46 47.721 96.888 85.690 1.00 0.00 N ATOM 631 CA ARG A 46 47.080 98.235 85.692 1.00 0.00 C ATOM 632 C ARG A 46 48.158 99.318 85.593 1.00 0.00 C ATOM 633 O ARG A 46 49.282 99.128 86.020 1.00 0.00 O ATOM 634 CB ARG A 46 46.348 98.314 87.036 1.00 0.00 C ATOM 635 CG ARG A 46 45.679 99.685 87.193 1.00 0.00 C ATOM 636 CD ARG A 46 45.074 99.805 88.596 1.00 0.00 C ATOM 637 NE ARG A 46 46.223 99.659 89.532 1.00 0.00 N ATOM 638 CZ ARG A 46 46.084 98.975 90.634 1.00 0.00 C ATOM 639 NH1 ARG A 46 45.151 99.299 91.488 1.00 0.00 N ATOM 640 NH2 ARG A 46 46.875 97.969 90.883 1.00 0.00 N ATOM 0 H ARG A 46 48.449 96.760 86.393 1.00 0.00 H new ATOM 0 HA ARG A 46 46.401 98.384 84.853 1.00 0.00 H new ATOM 0 HB2 ARG A 46 45.598 97.526 87.097 1.00 0.00 H new ATOM 0 HB3 ARG A 46 47.051 98.148 87.852 1.00 0.00 H new ATOM 0 HG2 ARG A 46 46.410 100.478 87.032 1.00 0.00 H new ATOM 0 HG3 ARG A 46 44.902 99.810 86.439 1.00 0.00 H new ATOM 0 HD2 ARG A 46 44.577 100.766 88.729 1.00 0.00 H new ATOM 0 HD3 ARG A 46 44.325 99.032 88.769 1.00 0.00 H new ATOM 0 HE ARG A 46 47.119 100.094 89.311 1.00 0.00 H new ATOM 0 HH11 ARG A 46 44.532 100.086 91.293 1.00 0.00 H new ATOM 0 HH12 ARG A 46 45.041 98.765 92.350 1.00 0.00 H new ATOM 0 HH21 ARG A 46 47.604 97.716 90.216 1.00 0.00 H new ATOM 0 HH22 ARG A 46 46.765 97.435 91.745 1.00 0.00 H new ATOM 654 N LEU A 47 47.819 100.453 85.036 1.00 0.00 N ATOM 655 CA LEU A 47 48.817 101.556 84.909 1.00 0.00 C ATOM 656 C LEU A 47 48.621 102.553 86.050 1.00 0.00 C ATOM 657 O LEU A 47 47.575 103.162 86.176 1.00 0.00 O ATOM 658 CB LEU A 47 48.518 102.211 83.559 1.00 0.00 C ATOM 659 CG LEU A 47 49.671 103.141 83.172 1.00 0.00 C ATOM 660 CD1 LEU A 47 49.617 103.423 81.670 1.00 0.00 C ATOM 661 CD2 LEU A 47 49.547 104.459 83.941 1.00 0.00 C ATOM 0 H LEU A 47 46.893 100.663 84.664 1.00 0.00 H new ATOM 0 HA LEU A 47 49.846 101.201 84.961 1.00 0.00 H new ATOM 0 HB2 LEU A 47 48.382 101.446 82.794 1.00 0.00 H new ATOM 0 HB3 LEU A 47 47.586 102.774 83.615 1.00 0.00 H new ATOM 0 HG LEU A 47 50.619 102.664 83.420 1.00 0.00 H new ATOM 0 HD11 LEU A 47 50.438 104.085 81.394 1.00 0.00 H new ATOM 0 HD12 LEU A 47 49.706 102.486 81.120 1.00 0.00 H new ATOM 0 HD13 LEU A 47 48.668 103.899 81.423 1.00 0.00 H new ATOM 0 HD21 LEU A 47 50.368 105.120 83.665 1.00 0.00 H new ATOM 0 HD22 LEU A 47 48.598 104.936 83.695 1.00 0.00 H new ATOM 0 HD23 LEU A 47 49.586 104.260 85.012 1.00 0.00 H new ATOM 673 N VAL A 48 49.614 102.716 86.888 1.00 0.00 N ATOM 674 CA VAL A 48 49.479 103.666 88.030 1.00 0.00 C ATOM 675 C VAL A 48 50.184 104.994 87.725 1.00 0.00 C ATOM 676 O VAL A 48 49.842 106.018 88.287 1.00 0.00 O ATOM 677 CB VAL A 48 50.122 102.952 89.227 1.00 0.00 C ATOM 678 CG1 VAL A 48 51.598 102.661 88.935 1.00 0.00 C ATOM 679 CG2 VAL A 48 50.016 103.841 90.471 1.00 0.00 C ATOM 0 H VAL A 48 50.510 102.232 86.829 1.00 0.00 H new ATOM 0 HA VAL A 48 48.438 103.920 88.228 1.00 0.00 H new ATOM 0 HB VAL A 48 49.600 102.011 89.402 1.00 0.00 H new ATOM 0 HG11 VAL A 48 52.045 102.154 89.790 1.00 0.00 H new ATOM 0 HG12 VAL A 48 51.676 102.024 88.054 1.00 0.00 H new ATOM 0 HG13 VAL A 48 52.124 103.598 88.752 1.00 0.00 H new ATOM 0 HG21 VAL A 48 50.473 103.334 91.321 1.00 0.00 H new ATOM 0 HG22 VAL A 48 50.533 104.783 90.290 1.00 0.00 H new ATOM 0 HG23 VAL A 48 48.966 104.039 90.688 1.00 0.00 H new ATOM 689 N ALA A 49 51.173 104.988 86.858 1.00 0.00 N ATOM 690 CA ALA A 49 51.886 106.269 86.561 1.00 0.00 C ATOM 691 C ALA A 49 52.264 106.387 85.079 1.00 0.00 C ATOM 692 O ALA A 49 52.261 105.426 84.337 1.00 0.00 O ATOM 693 CB ALA A 49 53.143 106.231 87.430 1.00 0.00 C ATOM 0 H ALA A 49 51.510 104.168 86.354 1.00 0.00 H new ATOM 0 HA ALA A 49 51.252 107.130 86.774 1.00 0.00 H new ATOM 0 HB1 ALA A 49 53.724 107.139 87.270 1.00 0.00 H new ATOM 0 HB2 ALA A 49 52.858 106.163 88.480 1.00 0.00 H new ATOM 0 HB3 ALA A 49 53.745 105.363 87.161 1.00 0.00 H new ATOM 699 N ARG A 50 52.595 107.581 84.664 1.00 18.13 N ATOM 700 CA ARG A 50 52.990 107.833 83.247 1.00 20.89 C ATOM 701 C ARG A 50 54.136 108.854 83.195 1.00 22.46 C ATOM 702 O ARG A 50 54.150 109.827 83.925 1.00 23.35 O ATOM 703 CB ARG A 50 51.723 108.394 82.579 1.00 21.09 C ATOM 704 CG ARG A 50 51.329 109.734 83.212 1.00 22.20 C ATOM 705 CD ARG A 50 49.912 110.109 82.772 1.00 26.75 C ATOM 706 NE ARG A 50 49.705 111.492 83.284 1.00 26.68 N ATOM 707 CZ ARG A 50 48.874 112.295 82.678 1.00 28.58 C ATOM 708 NH1 ARG A 50 48.947 112.456 81.385 1.00 29.05 N ATOM 709 NH2 ARG A 50 47.969 112.938 83.365 1.00 27.75 N ATOM 0 H ARG A 50 52.608 108.409 85.260 1.00 18.13 H new ATOM 0 HA ARG A 50 53.347 106.934 82.744 1.00 20.89 H new ATOM 0 HB2 ARG A 50 51.896 108.527 81.511 1.00 21.09 H new ATOM 0 HB3 ARG A 50 50.905 107.682 82.683 1.00 21.09 H new ATOM 0 HG2 ARG A 50 51.377 109.663 84.299 1.00 22.20 H new ATOM 0 HG3 ARG A 50 52.032 110.511 82.912 1.00 22.20 H new ATOM 0 HD2 ARG A 50 49.812 110.070 81.687 1.00 26.75 H new ATOM 0 HD3 ARG A 50 49.175 109.420 83.185 1.00 26.75 H new ATOM 0 HE ARG A 50 50.213 111.812 84.109 1.00 26.68 H new ATOM 0 HH11 ARG A 50 49.654 111.954 80.848 1.00 29.05 H new ATOM 0 HH12 ARG A 50 48.297 113.084 80.912 1.00 29.05 H new ATOM 0 HH21 ARG A 50 47.911 112.813 84.376 1.00 27.75 H new ATOM 0 HH22 ARG A 50 47.320 113.566 82.891 1.00 27.75 H new ATOM 723 N HIS A 51 55.096 108.625 82.336 1.00 22.89 N ATOM 724 CA HIS A 51 56.255 109.561 82.222 1.00 23.99 C ATOM 725 C HIS A 51 56.678 109.696 80.755 1.00 24.58 C ATOM 726 O HIS A 51 57.144 108.755 80.143 1.00 24.14 O ATOM 727 CB HIS A 51 57.367 108.924 83.061 1.00 22.92 C ATOM 728 CG HIS A 51 58.598 109.790 83.022 1.00 25.85 C ATOM 729 ND1 HIS A 51 59.865 109.287 83.277 1.00 27.97 N ATOM 730 CD2 HIS A 51 58.771 111.126 82.760 1.00 26.54 C ATOM 731 CE1 HIS A 51 60.735 110.306 83.164 1.00 26.28 C ATOM 732 NE2 HIS A 51 60.122 111.450 82.850 1.00 25.48 N ATOM 0 H HIS A 51 55.127 107.825 81.705 1.00 22.89 H new ATOM 0 HA HIS A 51 56.017 110.565 82.573 1.00 23.99 H new ATOM 0 HB2 HIS A 51 57.032 108.800 84.091 1.00 22.92 H new ATOM 0 HB3 HIS A 51 57.599 107.930 82.679 1.00 22.92 H new ATOM 0 HD1 HIS A 51 60.095 108.320 83.508 1.00 27.97 H new ATOM 0 HD2 HIS A 51 57.979 111.821 82.520 1.00 26.54 H new ATOM 0 HE1 HIS A 51 61.801 110.211 83.310 1.00 26.28 H new ATOM 740 N TRP A 52 56.510 110.868 80.194 1.00 24.73 N ATOM 741 CA TRP A 52 56.890 111.089 78.765 1.00 24.73 C ATOM 742 C TRP A 52 58.236 111.819 78.667 1.00 25.24 C ATOM 743 O TRP A 52 58.464 112.811 79.335 1.00 25.25 O ATOM 744 CB TRP A 52 55.781 111.977 78.204 1.00 22.37 C ATOM 745 CG TRP A 52 54.539 111.174 77.988 1.00 21.36 C ATOM 746 CD1 TRP A 52 53.417 111.263 78.740 1.00 21.28 C ATOM 747 CD2 TRP A 52 54.272 110.166 76.971 1.00 20.49 C ATOM 748 NE1 TRP A 52 52.479 110.376 78.246 1.00 19.65 N ATOM 749 CE2 TRP A 52 52.957 109.677 77.157 1.00 19.51 C ATOM 750 CE3 TRP A 52 55.034 109.635 75.915 1.00 19.22 C ATOM 751 CZ2 TRP A 52 52.418 108.697 76.326 1.00 19.14 C ATOM 752 CZ3 TRP A 52 54.493 108.646 75.075 1.00 19.43 C ATOM 753 CH2 TRP A 52 53.187 108.179 75.280 1.00 18.33 C ATOM 0 H TRP A 52 56.124 111.685 80.667 1.00 24.73 H new ATOM 0 HA TRP A 52 56.996 110.149 78.223 1.00 24.73 H new ATOM 0 HB2 TRP A 52 55.578 112.797 78.893 1.00 22.37 H new ATOM 0 HB3 TRP A 52 56.103 112.423 77.263 1.00 22.37 H new ATOM 0 HD1 TRP A 52 53.278 111.919 79.587 1.00 21.28 H new ATOM 0 HE1 TRP A 52 51.546 110.253 78.639 1.00 19.65 H new ATOM 0 HE3 TRP A 52 56.041 109.989 75.748 1.00 19.22 H new ATOM 0 HZ2 TRP A 52 51.412 108.340 76.489 1.00 19.14 H new ATOM 0 HZ3 TRP A 52 55.087 108.244 74.267 1.00 19.43 H new ATOM 0 HH2 TRP A 52 52.776 107.420 74.631 1.00 18.33 H new ATOM 764 N GLN A 53 59.121 111.334 77.834 1.00 0.00 N ATOM 765 CA GLN A 53 60.455 111.987 77.674 1.00 0.00 C ATOM 766 C GLN A 53 60.605 112.504 76.238 1.00 0.00 C ATOM 767 O GLN A 53 61.259 111.891 75.414 1.00 0.00 O ATOM 768 CB GLN A 53 61.470 110.876 77.951 1.00 0.00 C ATOM 769 CG GLN A 53 62.886 111.460 77.933 1.00 0.00 C ATOM 770 CD GLN A 53 63.885 110.402 78.409 1.00 0.00 C ATOM 771 OE1 GLN A 53 63.516 109.452 79.071 1.00 0.00 O ATOM 772 NE2 GLN A 53 65.146 110.530 78.098 1.00 0.00 N ATOM 0 H GLN A 53 58.975 110.508 77.254 1.00 0.00 H new ATOM 0 HA GLN A 53 60.591 112.838 78.342 1.00 0.00 H new ATOM 0 HB2 GLN A 53 61.267 110.417 78.918 1.00 0.00 H new ATOM 0 HB3 GLN A 53 61.380 110.091 77.200 1.00 0.00 H new ATOM 0 HG2 GLN A 53 63.142 111.789 76.926 1.00 0.00 H new ATOM 0 HG3 GLN A 53 62.936 112.338 78.577 1.00 0.00 H new ATOM 0 HE21 GLN A 53 65.456 111.327 77.542 1.00 0.00 H new ATOM 0 HE22 GLN A 53 65.822 109.833 78.411 1.00 0.00 H new ATOM 781 N ILE A 54 59.984 113.614 75.928 1.00 28.56 N ATOM 782 CA ILE A 54 60.065 114.167 74.538 1.00 31.69 C ATOM 783 C ILE A 54 61.338 115.004 74.318 1.00 31.35 C ATOM 784 O ILE A 54 61.658 115.895 75.080 1.00 31.20 O ATOM 785 CB ILE A 54 58.782 115.014 74.349 1.00 32.89 C ATOM 786 CG1 ILE A 54 58.823 116.289 75.205 1.00 34.14 C ATOM 787 CG2 ILE A 54 57.544 114.191 74.730 1.00 31.08 C ATOM 788 CD1 ILE A 54 57.630 117.179 74.847 1.00 36.11 C ATOM 0 H ILE A 54 59.422 114.164 76.578 1.00 28.56 H new ATOM 0 HA ILE A 54 60.127 113.366 73.802 1.00 31.69 H new ATOM 0 HB ILE A 54 58.727 115.301 73.299 1.00 32.89 H new ATOM 0 HG12 ILE A 54 58.794 116.031 76.264 1.00 34.14 H new ATOM 0 HG13 ILE A 54 59.756 116.826 75.033 1.00 34.14 H new ATOM 0 HG21 ILE A 54 56.648 114.797 74.593 1.00 31.08 H new ATOM 0 HG22 ILE A 54 57.485 113.307 74.095 1.00 31.08 H new ATOM 0 HG23 ILE A 54 57.618 113.884 75.773 1.00 31.08 H new ATOM 0 HD11 ILE A 54 57.657 118.085 75.453 1.00 36.11 H new ATOM 0 HD12 ILE A 54 57.680 117.447 73.792 1.00 36.11 H new ATOM 0 HD13 ILE A 54 56.703 116.640 75.041 1.00 36.11 H new ATOM 800 N THR A 55 62.051 114.722 73.256 1.00 32.39 N ATOM 801 CA THR A 55 63.285 115.502 72.933 1.00 32.79 C ATOM 802 C THR A 55 63.089 116.166 71.571 1.00 33.98 C ATOM 803 O THR A 55 62.693 115.533 70.610 1.00 33.62 O ATOM 804 CB THR A 55 64.438 114.493 72.899 1.00 32.44 C ATOM 805 OG1 THR A 55 64.426 113.724 74.093 1.00 30.14 O ATOM 806 CG2 THR A 55 65.777 115.228 72.774 1.00 31.51 C ATOM 0 H THR A 55 61.829 113.979 72.594 1.00 32.39 H new ATOM 0 HA THR A 55 63.496 116.283 73.664 1.00 32.79 H new ATOM 0 HB THR A 55 64.314 113.836 72.038 1.00 32.44 H new ATOM 0 HG1 THR A 55 65.162 113.077 74.073 1.00 30.14 H new ATOM 0 HG21 THR A 55 66.590 114.502 72.751 1.00 31.51 H new ATOM 0 HG22 THR A 55 65.786 115.813 71.854 1.00 31.51 H new ATOM 0 HG23 THR A 55 65.908 115.892 73.628 1.00 31.51 H new ATOM 814 N ASP A 56 63.340 117.450 71.497 1.00 36.19 N ATOM 815 CA ASP A 56 63.145 118.180 70.212 1.00 38.66 C ATOM 816 C ASP A 56 64.433 118.203 69.382 1.00 38.50 C ATOM 817 O ASP A 56 65.493 117.819 69.836 1.00 37.75 O ATOM 818 CB ASP A 56 62.723 119.593 70.615 1.00 41.21 C ATOM 819 CG ASP A 56 62.141 120.323 69.403 1.00 42.74 C ATOM 820 OD1 ASP A 56 62.909 120.938 68.681 1.00 43.86 O ATOM 821 OD2 ASP A 56 60.938 120.253 69.216 1.00 45.04 O ATOM 0 H ASP A 56 63.672 118.022 72.273 1.00 36.19 H new ATOM 0 HA ASP A 56 62.397 117.696 69.584 1.00 38.66 H new ATOM 0 HB2 ASP A 56 61.983 119.548 71.414 1.00 41.21 H new ATOM 0 HB3 ASP A 56 63.580 120.142 71.005 1.00 41.21 H new ATOM 826 N GLY A 57 64.328 118.644 68.154 1.00 37.51 N ATOM 827 CA GLY A 57 65.514 118.699 67.245 1.00 38.01 C ATOM 828 C GLY A 57 66.607 119.644 67.774 1.00 39.47 C ATOM 829 O GLY A 57 67.696 119.682 67.228 1.00 38.99 O ATOM 0 H GLY A 57 63.458 118.973 67.736 1.00 37.51 H new ATOM 0 HA2 GLY A 57 65.927 117.697 67.128 1.00 38.01 H new ATOM 0 HA3 GLY A 57 65.197 119.030 66.256 1.00 38.01 H new ATOM 833 N ASN A 58 66.361 120.391 68.832 1.00 0.00 N ATOM 834 CA ASN A 58 67.428 121.294 69.367 1.00 0.00 C ATOM 835 C ASN A 58 68.084 120.681 70.620 1.00 0.00 C ATOM 836 O ASN A 58 68.917 121.301 71.253 1.00 0.00 O ATOM 837 CB ASN A 58 66.723 122.608 69.703 1.00 0.00 C ATOM 838 CG ASN A 58 66.202 123.251 68.415 1.00 0.00 C ATOM 839 OD1 ASN A 58 66.933 123.392 67.454 1.00 0.00 O ATOM 840 ND2 ASN A 58 64.961 123.651 68.356 1.00 0.00 N ATOM 0 H ASN A 58 65.477 120.412 69.340 1.00 0.00 H new ATOM 0 HA ASN A 58 68.230 121.445 68.644 1.00 0.00 H new ATOM 0 HB2 ASN A 58 65.897 122.425 70.390 1.00 0.00 H new ATOM 0 HB3 ASN A 58 67.413 123.285 70.207 1.00 0.00 H new ATOM 0 HD21 ASN A 58 64.604 124.082 67.503 1.00 0.00 H new ATOM 0 HD22 ASN A 58 64.348 123.532 69.163 1.00 0.00 H new ATOM 847 N GLY A 59 67.730 119.464 70.969 1.00 0.00 N ATOM 848 CA GLY A 59 68.349 118.808 72.161 1.00 0.00 C ATOM 849 C GLY A 59 67.499 119.039 73.415 1.00 0.00 C ATOM 850 O GLY A 59 67.491 118.222 74.316 1.00 0.00 O ATOM 0 H GLY A 59 67.038 118.899 70.477 1.00 0.00 H new ATOM 0 HA2 GLY A 59 68.453 117.738 71.979 1.00 0.00 H new ATOM 0 HA3 GLY A 59 69.352 119.204 72.319 1.00 0.00 H new ATOM 854 N ARG A 60 66.789 120.139 73.486 1.00 49.10 N ATOM 855 CA ARG A 60 65.948 120.406 74.699 1.00 50.05 C ATOM 856 C ARG A 60 64.884 119.313 74.842 1.00 49.79 C ATOM 857 O ARG A 60 64.340 118.838 73.863 1.00 48.27 O ATOM 858 CB ARG A 60 65.290 121.770 74.447 1.00 52.38 C ATOM 859 CG ARG A 60 65.929 122.839 75.348 1.00 55.08 C ATOM 860 CD ARG A 60 66.775 123.797 74.502 1.00 57.97 C ATOM 861 NE ARG A 60 65.815 124.416 73.545 1.00 60.72 N ATOM 862 CZ ARG A 60 66.250 124.931 72.427 1.00 61.65 C ATOM 863 NH1 ARG A 60 67.311 125.689 72.427 1.00 62.78 N ATOM 864 NH2 ARG A 60 65.621 124.687 71.309 1.00 61.80 N ATOM 0 H ARG A 60 66.754 120.859 72.764 1.00 49.10 H new ATOM 0 HA ARG A 60 66.535 120.409 75.617 1.00 50.05 H new ATOM 0 HB2 ARG A 60 65.405 122.050 73.400 1.00 52.38 H new ATOM 0 HB3 ARG A 60 64.220 121.708 74.645 1.00 52.38 H new ATOM 0 HG2 ARG A 60 65.153 123.394 75.875 1.00 55.08 H new ATOM 0 HG3 ARG A 60 66.551 122.363 76.106 1.00 55.08 H new ATOM 0 HD2 ARG A 60 67.256 124.553 75.123 1.00 57.97 H new ATOM 0 HD3 ARG A 60 67.568 123.265 73.977 1.00 57.97 H new ATOM 0 HE ARG A 60 64.819 124.437 73.763 1.00 60.72 H new ATOM 0 HH11 ARG A 60 67.801 125.880 73.301 1.00 62.78 H new ATOM 0 HH12 ARG A 60 67.650 126.091 71.553 1.00 62.78 H new ATOM 0 HH21 ARG A 60 64.791 124.095 71.310 1.00 61.80 H new ATOM 0 HH22 ARG A 60 65.960 125.089 70.435 1.00 61.80 H new ATOM 878 N THR A 61 64.592 118.904 76.054 1.00 0.00 N ATOM 879 CA THR A 61 63.569 117.830 76.250 1.00 0.00 C ATOM 880 C THR A 61 62.603 118.211 77.374 1.00 0.00 C ATOM 881 O THR A 61 62.958 118.932 78.287 1.00 0.00 O ATOM 882 CB THR A 61 64.362 116.575 76.633 1.00 0.00 C ATOM 883 OG1 THR A 61 65.012 116.794 77.877 1.00 0.00 O ATOM 884 CG2 THR A 61 65.409 116.266 75.559 1.00 0.00 C ATOM 0 H THR A 61 65.015 119.265 76.909 1.00 0.00 H new ATOM 0 HA THR A 61 62.970 117.674 75.353 1.00 0.00 H new ATOM 0 HB THR A 61 63.678 115.730 76.716 1.00 0.00 H new ATOM 0 HG1 THR A 61 65.519 115.993 78.127 1.00 0.00 H new ATOM 0 HG21 THR A 61 65.967 115.373 75.841 1.00 0.00 H new ATOM 0 HG22 THR A 61 64.912 116.097 74.604 1.00 0.00 H new ATOM 0 HG23 THR A 61 66.095 117.108 75.467 1.00 0.00 H new ATOM 892 N GLU A 62 61.386 117.730 77.315 1.00 0.00 N ATOM 893 CA GLU A 62 60.395 118.062 78.382 1.00 0.00 C ATOM 894 C GLU A 62 59.884 116.779 79.042 1.00 0.00 C ATOM 895 O GLU A 62 59.352 115.898 78.391 1.00 0.00 O ATOM 896 CB GLU A 62 59.259 118.785 77.658 1.00 0.00 C ATOM 897 CG GLU A 62 59.744 120.164 77.197 1.00 0.00 C ATOM 898 CD GLU A 62 58.614 120.903 76.467 1.00 0.00 C ATOM 899 OE1 GLU A 62 57.687 120.248 76.016 1.00 0.00 O ATOM 900 OE2 GLU A 62 58.698 122.116 76.369 1.00 0.00 O ATOM 0 H GLU A 62 61.037 117.122 76.574 1.00 0.00 H new ATOM 0 HA GLU A 62 60.827 118.676 79.172 1.00 0.00 H new ATOM 0 HB2 GLU A 62 58.928 118.199 76.801 1.00 0.00 H new ATOM 0 HB3 GLU A 62 58.401 118.892 78.321 1.00 0.00 H new ATOM 0 HG2 GLU A 62 60.075 120.748 78.056 1.00 0.00 H new ATOM 0 HG3 GLU A 62 60.604 120.054 76.536 1.00 0.00 H new ATOM 907 N GLN A 63 60.054 116.668 80.335 1.00 0.00 N ATOM 908 CA GLN A 63 59.593 115.448 81.061 1.00 0.00 C ATOM 909 C GLN A 63 58.307 115.737 81.839 1.00 0.00 C ATOM 910 O GLN A 63 58.186 116.749 82.503 1.00 0.00 O ATOM 911 CB GLN A 63 60.730 115.134 82.033 1.00 0.00 C ATOM 912 CG GLN A 63 61.948 114.639 81.253 1.00 0.00 C ATOM 913 CD GLN A 63 63.089 114.334 82.226 1.00 0.00 C ATOM 914 OE1 GLN A 63 63.299 115.057 83.179 1.00 0.00 O ATOM 915 NE2 GLN A 63 63.841 113.286 82.023 1.00 0.00 N ATOM 0 H GLN A 63 60.496 117.376 80.922 1.00 0.00 H new ATOM 0 HA GLN A 63 59.374 114.623 80.383 1.00 0.00 H new ATOM 0 HB2 GLN A 63 60.989 116.025 82.605 1.00 0.00 H new ATOM 0 HB3 GLN A 63 60.411 114.376 82.749 1.00 0.00 H new ATOM 0 HG2 GLN A 63 61.691 113.744 80.686 1.00 0.00 H new ATOM 0 HG3 GLN A 63 62.263 115.394 80.532 1.00 0.00 H new ATOM 0 HE21 GLN A 63 63.664 112.679 81.223 1.00 0.00 H new ATOM 0 HE22 GLN A 63 64.605 113.074 82.665 1.00 0.00 H new ATOM 924 N VAL A 64 57.347 114.850 81.761 1.00 37.94 N ATOM 925 CA VAL A 64 56.062 115.063 82.496 1.00 37.05 C ATOM 926 C VAL A 64 55.732 113.827 83.337 1.00 36.89 C ATOM 927 O VAL A 64 55.794 112.710 82.870 1.00 36.32 O ATOM 928 CB VAL A 64 55.004 115.291 81.412 1.00 36.50 C ATOM 929 CG1 VAL A 64 53.638 115.522 82.062 1.00 37.01 C ATOM 930 CG2 VAL A 64 55.381 116.520 80.579 1.00 35.74 C ATOM 0 H VAL A 64 57.397 113.987 81.220 1.00 37.94 H new ATOM 0 HA VAL A 64 56.112 115.909 83.182 1.00 37.05 H new ATOM 0 HB VAL A 64 54.956 114.412 80.769 1.00 36.50 H new ATOM 0 HG11 VAL A 64 52.889 115.684 81.287 1.00 37.01 H new ATOM 0 HG12 VAL A 64 53.365 114.649 82.654 1.00 37.01 H new ATOM 0 HG13 VAL A 64 53.686 116.398 82.708 1.00 37.01 H new ATOM 0 HG21 VAL A 64 54.628 116.682 79.808 1.00 35.74 H new ATOM 0 HG22 VAL A 64 55.432 117.396 81.226 1.00 35.74 H new ATOM 0 HG23 VAL A 64 56.352 116.358 80.110 1.00 35.74 H new ATOM 940 N ASP A 65 55.395 114.034 84.584 1.00 0.00 N ATOM 941 CA ASP A 65 55.070 112.892 85.492 1.00 0.00 C ATOM 942 C ASP A 65 53.683 113.081 86.120 1.00 0.00 C ATOM 943 O ASP A 65 53.393 114.109 86.704 1.00 0.00 O ATOM 944 CB ASP A 65 56.160 112.919 86.571 1.00 0.00 C ATOM 945 CG ASP A 65 56.143 114.263 87.307 1.00 0.00 C ATOM 946 OD1 ASP A 65 56.333 115.277 86.654 1.00 0.00 O ATOM 947 OD2 ASP A 65 55.939 114.256 88.510 1.00 0.00 O ATOM 0 H ASP A 65 55.330 114.955 85.017 1.00 0.00 H new ATOM 0 HA ASP A 65 55.045 111.941 84.961 1.00 0.00 H new ATOM 0 HB2 ASP A 65 56.001 112.106 87.279 1.00 0.00 H new ATOM 0 HB3 ASP A 65 57.137 112.758 86.115 1.00 0.00 H new ATOM 952 N GLY A 66 52.833 112.091 86.011 1.00 31.82 N ATOM 953 CA GLY A 66 51.467 112.198 86.604 1.00 29.07 C ATOM 954 C GLY A 66 50.954 110.796 86.944 1.00 27.67 C ATOM 955 O GLY A 66 51.495 109.806 86.490 1.00 27.18 O ATOM 0 H GLY A 66 53.028 111.210 85.535 1.00 31.82 H new ATOM 0 HA2 GLY A 66 51.495 112.816 87.502 1.00 29.07 H new ATOM 0 HA3 GLY A 66 50.790 112.686 85.902 1.00 29.07 H new ATOM 959 N GLU A 67 49.919 110.702 87.740 1.00 0.00 N ATOM 960 CA GLU A 67 49.368 109.361 88.107 1.00 0.00 C ATOM 961 C GLU A 67 48.049 109.113 87.366 1.00 0.00 C ATOM 962 O GLU A 67 47.384 110.039 86.952 1.00 0.00 O ATOM 963 CB GLU A 67 49.132 109.431 89.616 1.00 0.00 C ATOM 964 CG GLU A 67 50.479 109.485 90.344 1.00 0.00 C ATOM 965 CD GLU A 67 50.257 109.555 91.860 1.00 0.00 C ATOM 966 OE1 GLU A 67 49.170 109.935 92.272 1.00 0.00 O ATOM 967 OE2 GLU A 67 51.183 109.234 92.587 1.00 0.00 O ATOM 0 H GLU A 67 49.431 111.497 88.152 1.00 0.00 H new ATOM 0 HA GLU A 67 50.042 108.547 87.838 1.00 0.00 H new ATOM 0 HB2 GLU A 67 48.539 110.312 89.861 1.00 0.00 H new ATOM 0 HB3 GLU A 67 48.563 108.562 89.946 1.00 0.00 H new ATOM 0 HG2 GLU A 67 51.071 108.604 90.096 1.00 0.00 H new ATOM 0 HG3 GLU A 67 51.046 110.354 90.011 1.00 0.00 H new ATOM 974 N GLY A 68 47.657 107.868 87.219 1.00 22.62 N ATOM 975 CA GLY A 68 46.367 107.539 86.528 1.00 22.36 C ATOM 976 C GLY A 68 46.239 108.277 85.186 1.00 20.38 C ATOM 977 O GLY A 68 45.832 109.421 85.139 1.00 21.93 O ATOM 0 H GLY A 68 48.181 107.058 87.551 1.00 22.62 H new ATOM 0 HA2 GLY A 68 46.308 106.464 86.359 1.00 22.36 H new ATOM 0 HA3 GLY A 68 45.530 107.807 87.172 1.00 22.36 H new ATOM 981 N VAL A 69 46.586 107.627 84.095 1.00 17.51 N ATOM 982 CA VAL A 69 46.492 108.277 82.736 1.00 15.40 C ATOM 983 C VAL A 69 45.160 109.015 82.556 1.00 17.02 C ATOM 984 O VAL A 69 44.106 108.507 82.868 1.00 17.35 O ATOM 985 CB VAL A 69 46.602 107.134 81.718 1.00 12.26 C ATOM 986 CG1 VAL A 69 47.999 106.517 81.786 1.00 8.73 C ATOM 987 CG2 VAL A 69 45.547 106.058 82.007 1.00 8.21 C ATOM 0 H VAL A 69 46.933 106.668 84.085 1.00 17.51 H new ATOM 0 HA VAL A 69 47.279 109.020 82.608 1.00 15.40 H new ATOM 0 HB VAL A 69 46.430 107.535 80.719 1.00 12.26 H new ATOM 0 HG11 VAL A 69 48.074 105.706 81.062 1.00 8.73 H new ATOM 0 HG12 VAL A 69 48.745 107.278 81.556 1.00 8.73 H new ATOM 0 HG13 VAL A 69 48.176 106.126 82.788 1.00 8.73 H new ATOM 0 HG21 VAL A 69 45.638 105.254 81.277 1.00 8.21 H new ATOM 0 HG22 VAL A 69 45.701 105.657 83.009 1.00 8.21 H new ATOM 0 HG23 VAL A 69 44.552 106.497 81.941 1.00 8.21 H new ATOM 997 N VAL A 70 45.237 110.232 82.068 1.00 17.68 N ATOM 998 CA VAL A 70 44.028 111.101 81.850 1.00 16.81 C ATOM 999 C VAL A 70 43.036 110.991 83.026 1.00 17.08 C ATOM 1000 O VAL A 70 41.834 111.060 82.855 1.00 16.77 O ATOM 1001 CB VAL A 70 43.398 110.680 80.504 1.00 18.60 C ATOM 1002 CG1 VAL A 70 44.462 110.690 79.400 1.00 19.36 C ATOM 1003 CG2 VAL A 70 42.781 109.284 80.605 1.00 20.55 C ATOM 0 H VAL A 70 46.117 110.675 81.802 1.00 17.68 H new ATOM 0 HA VAL A 70 44.311 112.153 81.809 1.00 16.81 H new ATOM 0 HB VAL A 70 42.611 111.394 80.259 1.00 18.60 H new ATOM 0 HG11 VAL A 70 44.008 110.392 78.455 1.00 19.36 H new ATOM 0 HG12 VAL A 70 44.876 111.694 79.303 1.00 19.36 H new ATOM 0 HG13 VAL A 70 45.259 109.992 79.656 1.00 19.36 H new ATOM 0 HG21 VAL A 70 42.344 109.009 79.645 1.00 20.55 H new ATOM 0 HG22 VAL A 70 43.554 108.563 80.871 1.00 20.55 H new ATOM 0 HG23 VAL A 70 42.005 109.284 81.371 1.00 20.55 H new ATOM 1013 N GLY A 71 43.556 110.857 84.221 1.00 17.30 N ATOM 1014 CA GLY A 71 42.690 110.783 85.439 1.00 16.44 C ATOM 1015 C GLY A 71 42.147 109.368 85.687 1.00 18.03 C ATOM 1016 O GLY A 71 41.155 109.209 86.377 1.00 18.29 O ATOM 0 H GLY A 71 44.557 110.795 84.407 1.00 17.30 H new ATOM 0 HA2 GLY A 71 43.262 111.107 86.308 1.00 16.44 H new ATOM 0 HA3 GLY A 71 41.855 111.476 85.331 1.00 16.44 H new ATOM 1020 N GLU A 72 42.771 108.341 85.155 1.00 0.00 N ATOM 1021 CA GLU A 72 42.244 106.959 85.409 1.00 0.00 C ATOM 1022 C GLU A 72 43.360 105.906 85.460 1.00 0.00 C ATOM 1023 O GLU A 72 44.422 106.051 84.877 1.00 0.00 O ATOM 1024 CB GLU A 72 41.268 106.655 84.269 1.00 0.00 C ATOM 1025 CG GLU A 72 41.989 106.710 82.927 1.00 0.00 C ATOM 1026 CD GLU A 72 41.201 105.905 81.893 1.00 0.00 C ATOM 1027 OE1 GLU A 72 40.303 106.471 81.291 1.00 0.00 O ATOM 1028 OE2 GLU A 72 41.505 104.736 81.722 1.00 0.00 O ATOM 0 H GLU A 72 43.604 108.396 84.569 1.00 0.00 H new ATOM 0 HA GLU A 72 41.756 106.919 86.383 1.00 0.00 H new ATOM 0 HB2 GLU A 72 40.827 105.669 84.412 1.00 0.00 H new ATOM 0 HB3 GLU A 72 40.450 107.375 84.280 1.00 0.00 H new ATOM 0 HG2 GLU A 72 42.090 107.744 82.598 1.00 0.00 H new ATOM 0 HG3 GLU A 72 42.997 106.307 83.027 1.00 0.00 H new ATOM 1035 N GLN A 73 43.090 104.838 86.163 1.00 13.09 N ATOM 1036 CA GLN A 73 44.059 103.713 86.299 1.00 15.45 C ATOM 1037 C GLN A 73 43.432 102.450 85.685 1.00 15.30 C ATOM 1038 O GLN A 73 43.004 101.561 86.396 1.00 16.40 O ATOM 1039 CB GLN A 73 44.234 103.541 87.811 1.00 18.12 C ATOM 1040 CG GLN A 73 45.016 104.729 88.373 1.00 18.21 C ATOM 1041 CD GLN A 73 44.961 104.700 89.902 1.00 16.98 C ATOM 1042 OE1 GLN A 73 45.127 103.659 90.507 1.00 18.14 O ATOM 1043 NE2 GLN A 73 44.731 105.806 90.555 1.00 14.04 N ATOM 0 H GLN A 73 42.212 104.696 86.663 1.00 13.09 H new ATOM 0 HA GLN A 73 45.010 103.893 85.798 1.00 15.45 H new ATOM 0 HB2 GLN A 73 43.260 103.472 88.295 1.00 18.12 H new ATOM 0 HB3 GLN A 73 44.762 102.611 88.023 1.00 18.12 H new ATOM 0 HG2 GLN A 73 46.052 104.689 88.035 1.00 18.21 H new ATOM 0 HG3 GLN A 73 44.595 105.663 88.001 1.00 18.21 H new ATOM 0 HE21 GLN A 73 44.592 106.679 90.046 1.00 14.04 H new ATOM 0 HE22 GLN A 73 44.690 105.797 91.574 1.00 14.04 H new ATOM 1052 N PRO A 74 43.365 102.431 84.370 1.00 15.25 N ATOM 1053 CA PRO A 74 42.730 101.258 83.691 1.00 16.63 C ATOM 1054 C PRO A 74 43.355 99.925 84.126 1.00 17.41 C ATOM 1055 O PRO A 74 44.557 99.798 84.265 1.00 17.61 O ATOM 1056 CB PRO A 74 42.982 101.506 82.208 1.00 16.18 C ATOM 1057 CG PRO A 74 44.190 102.376 82.166 1.00 16.38 C ATOM 1058 CD PRO A 74 44.149 103.226 83.405 1.00 13.89 C ATOM 0 HA PRO A 74 41.672 101.175 83.941 1.00 16.63 H new ATOM 0 HB2 PRO A 74 43.150 100.571 81.674 1.00 16.18 H new ATOM 0 HB3 PRO A 74 42.128 101.993 81.738 1.00 16.18 H new ATOM 0 HG2 PRO A 74 45.099 101.776 82.138 1.00 16.38 H new ATOM 0 HG3 PRO A 74 44.190 102.997 81.270 1.00 16.38 H new ATOM 0 HD2 PRO A 74 45.152 103.430 83.780 1.00 13.89 H new ATOM 0 HD3 PRO A 74 43.679 104.190 83.210 1.00 13.89 H new ATOM 1066 N TRP A 75 42.525 98.928 84.310 1.00 0.00 N ATOM 1067 CA TRP A 75 43.017 97.576 84.710 1.00 0.00 C ATOM 1068 C TRP A 75 43.034 96.678 83.470 1.00 0.00 C ATOM 1069 O TRP A 75 42.161 95.851 83.282 1.00 0.00 O ATOM 1070 CB TRP A 75 41.985 97.076 85.726 1.00 0.00 C ATOM 1071 CG TRP A 75 42.607 96.061 86.632 1.00 0.00 C ATOM 1072 CD1 TRP A 75 43.473 96.340 87.631 1.00 0.00 C ATOM 1073 CD2 TRP A 75 42.417 94.615 86.647 1.00 0.00 C ATOM 1074 NE1 TRP A 75 43.834 95.158 88.254 1.00 0.00 N ATOM 1075 CE2 TRP A 75 43.209 94.068 87.684 1.00 0.00 C ATOM 1076 CE3 TRP A 75 41.645 93.734 85.868 1.00 0.00 C ATOM 1077 CZ2 TRP A 75 43.235 92.697 87.939 1.00 0.00 C ATOM 1078 CZ3 TRP A 75 41.668 92.353 86.123 1.00 0.00 C ATOM 1079 CH2 TRP A 75 42.461 91.836 87.157 1.00 0.00 C ATOM 0 H TRP A 75 41.513 98.996 84.198 1.00 0.00 H new ATOM 0 HA TRP A 75 44.023 97.584 85.130 1.00 0.00 H new ATOM 0 HB2 TRP A 75 41.604 97.913 86.311 1.00 0.00 H new ATOM 0 HB3 TRP A 75 41.134 96.637 85.206 1.00 0.00 H new ATOM 0 HD1 TRP A 75 43.826 97.325 87.900 1.00 0.00 H new ATOM 0 HE1 TRP A 75 44.483 95.100 89.039 1.00 0.00 H new ATOM 0 HE3 TRP A 75 41.031 94.122 85.069 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 43.849 92.304 88.735 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 41.071 91.686 85.519 1.00 0.00 H new ATOM 0 HH2 TRP A 75 42.474 90.773 87.349 1.00 0.00 H new ATOM 1090 N LEU A 76 44.003 96.859 82.610 1.00 18.07 N ATOM 1091 CA LEU A 76 44.058 96.042 81.359 1.00 17.96 C ATOM 1092 C LEU A 76 44.219 94.553 81.673 1.00 19.47 C ATOM 1093 O LEU A 76 45.212 94.125 82.229 1.00 20.57 O ATOM 1094 CB LEU A 76 45.271 96.567 80.577 1.00 16.79 C ATOM 1095 CG LEU A 76 44.880 96.782 79.110 1.00 17.27 C ATOM 1096 CD1 LEU A 76 43.827 97.892 79.018 1.00 13.86 C ATOM 1097 CD2 LEU A 76 46.117 97.181 78.297 1.00 15.14 C ATOM 0 H LEU A 76 44.758 97.536 82.719 1.00 18.07 H new ATOM 0 HA LEU A 76 43.135 96.133 80.786 1.00 17.96 H new ATOM 0 HB2 LEU A 76 45.620 97.503 81.012 1.00 16.79 H new ATOM 0 HB3 LEU A 76 46.095 95.857 80.644 1.00 16.79 H new ATOM 0 HG LEU A 76 44.469 95.856 78.708 1.00 17.27 H new ATOM 0 HD11 LEU A 76 43.549 98.045 77.975 1.00 13.86 H new ATOM 0 HD12 LEU A 76 42.945 97.605 79.590 1.00 13.86 H new ATOM 0 HD13 LEU A 76 44.237 98.817 79.423 1.00 13.86 H new ATOM 0 HD21 LEU A 76 45.834 97.333 77.255 1.00 15.14 H new ATOM 0 HD22 LEU A 76 46.534 98.105 78.698 1.00 15.14 H new ATOM 0 HD23 LEU A 76 46.864 96.389 78.359 1.00 15.14 H new ATOM 1109 N ARG A 77 43.247 93.764 81.295 1.00 0.00 N ATOM 1110 CA ARG A 77 43.323 92.295 81.537 1.00 0.00 C ATOM 1111 C ARG A 77 44.090 91.638 80.386 1.00 0.00 C ATOM 1112 O ARG A 77 44.188 92.208 79.316 1.00 0.00 O ATOM 1113 CB ARG A 77 41.868 91.822 81.555 1.00 0.00 C ATOM 1114 CG ARG A 77 41.261 92.093 82.933 1.00 0.00 C ATOM 1115 CD ARG A 77 39.758 91.801 82.900 1.00 0.00 C ATOM 1116 NE ARG A 77 39.613 90.460 83.530 1.00 0.00 N ATOM 1117 CZ ARG A 77 39.015 89.497 82.884 1.00 0.00 C ATOM 1118 NH1 ARG A 77 37.716 89.503 82.760 1.00 0.00 N ATOM 1119 NH2 ARG A 77 39.716 88.527 82.363 1.00 0.00 N ATOM 0 H ARG A 77 42.398 94.078 80.825 1.00 0.00 H new ATOM 0 HA ARG A 77 43.838 92.041 82.464 1.00 0.00 H new ATOM 0 HB2 ARG A 77 41.296 92.341 80.785 1.00 0.00 H new ATOM 0 HB3 ARG A 77 41.818 90.757 81.326 1.00 0.00 H new ATOM 0 HG2 ARG A 77 41.746 91.470 83.684 1.00 0.00 H new ATOM 0 HG3 ARG A 77 41.434 93.130 83.220 1.00 0.00 H new ATOM 0 HD2 ARG A 77 39.197 92.558 83.448 1.00 0.00 H new ATOM 0 HD3 ARG A 77 39.378 91.800 81.878 1.00 0.00 H new ATOM 0 HE ARG A 77 39.981 90.294 84.467 1.00 0.00 H new ATOM 0 HH11 ARG A 77 37.168 90.261 83.168 1.00 0.00 H new ATOM 0 HH12 ARG A 77 37.248 88.750 82.255 1.00 0.00 H new ATOM 0 HH21 ARG A 77 40.731 88.522 82.461 1.00 0.00 H new ATOM 0 HH22 ARG A 77 39.249 87.774 81.858 1.00 0.00 H new ATOM 1133 N PRO A 78 44.620 90.458 80.633 1.00 23.86 N ATOM 1134 CA PRO A 78 45.386 89.777 79.542 1.00 24.22 C ATOM 1135 C PRO A 78 44.539 89.666 78.264 1.00 24.36 C ATOM 1136 O PRO A 78 43.435 89.156 78.273 1.00 22.27 O ATOM 1137 CB PRO A 78 45.715 88.402 80.112 1.00 25.39 C ATOM 1138 CG PRO A 78 44.665 88.160 81.141 1.00 27.04 C ATOM 1139 CD PRO A 78 44.312 89.506 81.717 1.00 25.13 C ATOM 0 HA PRO A 78 46.282 90.327 79.255 1.00 24.22 H new ATOM 0 HB2 PRO A 78 45.694 87.636 79.337 1.00 25.39 H new ATOM 0 HB3 PRO A 78 46.712 88.383 80.551 1.00 25.39 H new ATOM 0 HG2 PRO A 78 43.789 87.686 80.698 1.00 27.04 H new ATOM 0 HG3 PRO A 78 45.031 87.489 81.918 1.00 27.04 H new ATOM 0 HD2 PRO A 78 43.261 89.554 82.002 1.00 25.13 H new ATOM 0 HD3 PRO A 78 44.895 89.721 82.613 1.00 25.13 H new ATOM 1147 N GLY A 79 45.070 90.146 77.169 1.00 24.74 N ATOM 1148 CA GLY A 79 44.332 90.085 75.872 1.00 23.79 C ATOM 1149 C GLY A 79 43.452 91.333 75.687 1.00 23.44 C ATOM 1150 O GLY A 79 43.044 91.642 74.584 1.00 22.44 O ATOM 0 H GLY A 79 45.991 90.581 77.118 1.00 24.74 H new ATOM 0 HA2 GLY A 79 45.041 90.009 75.048 1.00 23.79 H new ATOM 0 HA3 GLY A 79 43.712 89.189 75.843 1.00 23.79 H new ATOM 1154 N GLU A 80 43.160 92.055 76.747 1.00 23.31 N ATOM 1155 CA GLU A 80 42.313 93.282 76.613 1.00 21.90 C ATOM 1156 C GLU A 80 43.191 94.504 76.326 1.00 20.95 C ATOM 1157 O GLU A 80 44.396 94.466 76.491 1.00 19.52 O ATOM 1158 CB GLU A 80 41.597 93.425 77.956 1.00 23.06 C ATOM 1159 CG GLU A 80 40.588 94.576 77.879 1.00 23.88 C ATOM 1160 CD GLU A 80 39.806 94.678 79.195 1.00 27.44 C ATOM 1161 OE1 GLU A 80 39.737 93.688 79.908 1.00 25.91 O ATOM 1162 OE2 GLU A 80 39.282 95.746 79.465 1.00 29.38 O ATOM 0 H GLU A 80 43.472 91.846 77.695 1.00 23.31 H new ATOM 0 HA GLU A 80 41.604 93.206 75.788 1.00 21.90 H new ATOM 0 HB2 GLU A 80 41.086 92.496 78.208 1.00 23.06 H new ATOM 0 HB3 GLU A 80 42.322 93.615 78.748 1.00 23.06 H new ATOM 0 HG2 GLU A 80 41.108 95.514 77.682 1.00 23.88 H new ATOM 0 HG3 GLU A 80 39.900 94.412 77.049 1.00 23.88 H new ATOM 1169 N ALA A 81 42.593 95.584 75.886 1.00 0.00 N ATOM 1170 CA ALA A 81 43.382 96.812 75.572 1.00 0.00 C ATOM 1171 C ALA A 81 42.556 98.069 75.877 1.00 0.00 C ATOM 1172 O ALA A 81 41.344 98.066 75.772 1.00 0.00 O ATOM 1173 CB ALA A 81 43.683 96.718 74.076 1.00 0.00 C ATOM 0 H ALA A 81 41.588 95.666 75.731 1.00 0.00 H new ATOM 0 HA ALA A 81 44.292 96.880 76.168 1.00 0.00 H new ATOM 0 HB1 ALA A 81 44.263 97.588 73.766 1.00 0.00 H new ATOM 0 HB2 ALA A 81 44.254 95.811 73.876 1.00 0.00 H new ATOM 0 HB3 ALA A 81 42.747 96.688 73.518 1.00 0.00 H new ATOM 1179 N PHE A 82 43.209 99.148 76.232 1.00 18.56 N ATOM 1180 CA PHE A 82 42.477 100.419 76.522 1.00 17.00 C ATOM 1181 C PHE A 82 42.928 101.490 75.522 1.00 16.61 C ATOM 1182 O PHE A 82 44.073 101.510 75.115 1.00 15.77 O ATOM 1183 CB PHE A 82 42.878 100.801 77.949 1.00 13.41 C ATOM 1184 CG PHE A 82 42.191 102.090 78.341 1.00 12.03 C ATOM 1185 CD1 PHE A 82 42.811 103.320 78.089 1.00 12.24 C ATOM 1186 CD2 PHE A 82 40.931 102.052 78.951 1.00 10.24 C ATOM 1187 CE1 PHE A 82 42.169 104.512 78.448 1.00 8.77 C ATOM 1188 CE2 PHE A 82 40.292 103.243 79.310 1.00 10.01 C ATOM 1189 CZ PHE A 82 40.910 104.473 79.058 1.00 9.06 C ATOM 0 H PHE A 82 44.222 99.203 76.334 1.00 18.56 H new ATOM 0 HA PHE A 82 41.395 100.318 76.433 1.00 17.00 H new ATOM 0 HB2 PHE A 82 42.602 100.005 78.641 1.00 13.41 H new ATOM 0 HB3 PHE A 82 43.960 100.919 78.014 1.00 13.41 H new ATOM 0 HD1 PHE A 82 43.783 103.350 77.619 1.00 12.24 H new ATOM 0 HD2 PHE A 82 40.453 101.103 79.144 1.00 10.24 H new ATOM 0 HE1 PHE A 82 42.646 105.461 78.254 1.00 8.77 H new ATOM 0 HE2 PHE A 82 39.321 103.214 79.782 1.00 10.01 H new ATOM 0 HZ PHE A 82 40.415 105.392 79.334 1.00 9.06 H new ATOM 1199 N HIS A 83 42.048 102.373 75.114 1.00 0.00 N ATOM 1200 CA HIS A 83 42.457 103.426 74.129 1.00 0.00 C ATOM 1201 C HIS A 83 41.763 104.762 74.419 1.00 0.00 C ATOM 1202 O HIS A 83 40.592 104.811 74.746 1.00 0.00 O ATOM 1203 CB HIS A 83 42.028 102.882 72.760 1.00 0.00 C ATOM 1204 CG HIS A 83 40.543 102.622 72.744 1.00 0.00 C ATOM 1205 ND1 HIS A 83 39.618 103.631 72.530 1.00 0.00 N ATOM 1206 CD2 HIS A 83 39.812 101.472 72.916 1.00 0.00 C ATOM 1207 CE1 HIS A 83 38.394 103.075 72.578 1.00 0.00 C ATOM 1208 NE2 HIS A 83 38.455 101.761 72.810 1.00 0.00 N ATOM 0 H HIS A 83 41.074 102.411 75.416 1.00 0.00 H new ATOM 0 HA HIS A 83 43.528 103.624 74.178 1.00 0.00 H new ATOM 0 HB2 HIS A 83 42.288 103.597 71.979 1.00 0.00 H new ATOM 0 HB3 HIS A 83 42.568 101.961 72.541 1.00 0.00 H new ATOM 0 HD2 HIS A 83 40.227 100.493 73.105 1.00 0.00 H new ATOM 0 HE1 HIS A 83 37.474 103.624 72.445 1.00 0.00 H new ATOM 0 HE2 HIS A 83 37.675 101.109 72.892 1.00 0.00 H new ATOM 1216 N TYR A 84 42.482 105.848 74.272 1.00 21.96 N ATOM 1217 CA TYR A 84 41.885 107.197 74.503 1.00 22.81 C ATOM 1218 C TYR A 84 42.591 108.226 73.607 1.00 25.11 C ATOM 1219 O TYR A 84 43.685 107.991 73.129 1.00 26.65 O ATOM 1220 CB TYR A 84 42.080 107.497 75.999 1.00 19.35 C ATOM 1221 CG TYR A 84 43.547 107.664 76.337 1.00 16.39 C ATOM 1222 CD1 TYR A 84 44.318 106.549 76.680 1.00 12.01 C ATOM 1223 CD2 TYR A 84 44.128 108.938 76.321 1.00 15.59 C ATOM 1224 CE1 TYR A 84 45.670 106.705 77.006 1.00 9.20 C ATOM 1225 CE2 TYR A 84 45.479 109.095 76.647 1.00 14.00 C ATOM 1226 CZ TYR A 84 46.251 107.979 76.990 1.00 12.19 C ATOM 1227 OH TYR A 84 47.584 108.134 77.312 1.00 13.46 O ATOM 0 H TYR A 84 43.465 105.856 74.000 1.00 21.96 H new ATOM 0 HA TYR A 84 40.825 107.238 74.251 1.00 22.81 H new ATOM 0 HB2 TYR A 84 41.537 108.404 76.264 1.00 19.35 H new ATOM 0 HB3 TYR A 84 41.657 106.687 76.593 1.00 19.35 H new ATOM 0 HD1 TYR A 84 43.870 105.567 76.693 1.00 12.01 H new ATOM 0 HD2 TYR A 84 43.533 109.800 76.057 1.00 15.59 H new ATOM 0 HE1 TYR A 84 46.265 105.843 77.270 1.00 9.20 H new ATOM 0 HE2 TYR A 84 45.927 110.078 76.634 1.00 14.00 H new ATOM 0 HH TYR A 84 47.827 109.081 77.250 1.00 13.46 H new ATOM 1237 N THR A 85 41.971 109.354 73.365 1.00 26.58 N ATOM 1238 CA THR A 85 42.604 110.385 72.485 1.00 26.99 C ATOM 1239 C THR A 85 43.200 111.524 73.318 1.00 28.14 C ATOM 1240 O THR A 85 42.614 111.974 74.283 1.00 27.02 O ATOM 1241 CB THR A 85 41.467 110.905 71.604 1.00 26.65 C ATOM 1242 OG1 THR A 85 40.863 109.815 70.921 1.00 25.06 O ATOM 1243 CG2 THR A 85 42.020 111.904 70.588 1.00 21.76 C ATOM 0 H THR A 85 41.056 109.606 73.738 1.00 26.58 H new ATOM 0 HA THR A 85 43.424 109.969 71.899 1.00 26.99 H new ATOM 0 HB THR A 85 40.723 111.401 72.227 1.00 26.65 H new ATOM 0 HG1 THR A 85 40.133 110.146 70.357 1.00 25.06 H new ATOM 0 HG21 THR A 85 41.208 112.273 69.961 1.00 21.76 H new ATOM 0 HG22 THR A 85 42.481 112.740 71.114 1.00 21.76 H new ATOM 0 HG23 THR A 85 42.766 111.412 69.963 1.00 21.76 H new ATOM 1251 N SER A 86 44.366 111.992 72.941 1.00 29.06 N ATOM 1252 CA SER A 86 45.012 113.106 73.698 1.00 29.05 C ATOM 1253 C SER A 86 45.319 114.273 72.752 1.00 29.43 C ATOM 1254 O SER A 86 45.290 114.119 71.541 1.00 29.12 O ATOM 1255 CB SER A 86 46.309 112.508 74.237 1.00 29.12 C ATOM 1256 OG SER A 86 47.122 113.551 74.755 1.00 33.88 O ATOM 0 H SER A 86 44.897 111.649 72.141 1.00 29.06 H new ATOM 0 HA SER A 86 44.375 113.494 74.493 1.00 29.05 H new ATOM 0 HB2 SER A 86 46.091 111.779 75.017 1.00 29.12 H new ATOM 0 HB3 SER A 86 46.837 111.978 73.444 1.00 29.12 H new ATOM 0 HG SER A 86 47.936 113.631 74.215 1.00 33.88 H new ATOM 1262 N GLY A 87 45.627 115.433 73.285 1.00 29.08 N ATOM 1263 CA GLY A 87 45.939 116.598 72.403 1.00 29.89 C ATOM 1264 C GLY A 87 47.032 117.462 73.040 1.00 31.80 C ATOM 1265 O GLY A 87 46.872 117.983 74.128 1.00 31.40 O ATOM 0 H GLY A 87 45.675 115.620 74.287 1.00 29.08 H new ATOM 0 HA2 GLY A 87 46.267 116.246 71.425 1.00 29.89 H new ATOM 0 HA3 GLY A 87 45.040 117.194 72.243 1.00 29.89 H new ATOM 1269 N VAL A 88 48.138 117.620 72.358 1.00 0.00 N ATOM 1270 CA VAL A 88 49.254 118.455 72.901 1.00 0.00 C ATOM 1271 C VAL A 88 49.774 119.403 71.814 1.00 0.00 C ATOM 1272 O VAL A 88 49.673 119.121 70.635 1.00 0.00 O ATOM 1273 CB VAL A 88 50.342 117.460 73.321 1.00 0.00 C ATOM 1274 CG1 VAL A 88 49.799 116.548 74.422 1.00 0.00 C ATOM 1275 CG2 VAL A 88 50.766 116.608 72.119 1.00 0.00 C ATOM 0 H VAL A 88 48.317 117.205 71.444 1.00 0.00 H new ATOM 0 HA VAL A 88 48.936 119.074 73.740 1.00 0.00 H new ATOM 0 HB VAL A 88 51.206 118.011 73.692 1.00 0.00 H new ATOM 0 HG11 VAL A 88 50.571 115.840 74.722 1.00 0.00 H new ATOM 0 HG12 VAL A 88 49.506 117.150 75.282 1.00 0.00 H new ATOM 0 HG13 VAL A 88 48.932 116.003 74.048 1.00 0.00 H new ATOM 0 HG21 VAL A 88 51.539 115.904 72.427 1.00 0.00 H new ATOM 0 HG22 VAL A 88 49.904 116.058 71.741 1.00 0.00 H new ATOM 0 HG23 VAL A 88 51.156 117.255 71.334 1.00 0.00 H new ATOM 1285 N LEU A 89 50.324 120.526 72.205 1.00 0.00 N ATOM 1286 CA LEU A 89 50.846 121.497 71.195 1.00 0.00 C ATOM 1287 C LEU A 89 52.379 121.524 71.218 1.00 0.00 C ATOM 1288 O LEU A 89 52.992 121.417 72.263 1.00 0.00 O ATOM 1289 CB LEU A 89 50.266 122.857 71.606 1.00 0.00 C ATOM 1290 CG LEU A 89 50.755 123.241 73.018 1.00 0.00 C ATOM 1291 CD1 LEU A 89 51.610 124.508 72.944 1.00 0.00 C ATOM 1292 CD2 LEU A 89 49.550 123.500 73.931 1.00 0.00 C ATOM 0 H LEU A 89 50.434 120.812 73.178 1.00 0.00 H new ATOM 0 HA LEU A 89 50.557 121.227 70.179 1.00 0.00 H new ATOM 0 HB2 LEU A 89 50.567 123.621 70.889 1.00 0.00 H new ATOM 0 HB3 LEU A 89 49.177 122.816 71.589 1.00 0.00 H new ATOM 0 HG LEU A 89 51.351 122.422 73.421 1.00 0.00 H new ATOM 0 HD11 LEU A 89 51.953 124.775 73.944 1.00 0.00 H new ATOM 0 HD12 LEU A 89 52.472 124.328 72.301 1.00 0.00 H new ATOM 0 HD13 LEU A 89 51.016 125.325 72.534 1.00 0.00 H new ATOM 0 HD21 LEU A 89 49.900 123.771 74.927 1.00 0.00 H new ATOM 0 HD22 LEU A 89 48.952 124.315 73.522 1.00 0.00 H new ATOM 0 HD23 LEU A 89 48.940 122.599 73.993 1.00 0.00 H new ATOM 1304 N LEU A 90 52.998 121.661 70.071 1.00 37.85 N ATOM 1305 CA LEU A 90 54.492 121.687 70.025 1.00 36.74 C ATOM 1306 C LEU A 90 54.980 122.968 69.343 1.00 35.30 C ATOM 1307 O LEU A 90 54.377 123.436 68.395 1.00 35.10 O ATOM 1308 CB LEU A 90 54.875 120.465 69.190 1.00 38.41 C ATOM 1309 CG LEU A 90 54.755 119.203 70.044 1.00 38.68 C ATOM 1310 CD1 LEU A 90 54.643 117.978 69.134 1.00 37.80 C ATOM 1311 CD2 LEU A 90 55.997 119.068 70.928 1.00 38.08 C ATOM 0 H LEU A 90 52.534 121.756 69.167 1.00 37.85 H new ATOM 0 HA LEU A 90 54.937 121.666 71.020 1.00 36.74 H new ATOM 0 HB2 LEU A 90 54.225 120.389 68.318 1.00 38.41 H new ATOM 0 HB3 LEU A 90 55.895 120.570 68.820 1.00 38.41 H new ATOM 0 HG LEU A 90 53.866 119.272 70.671 1.00 38.68 H new ATOM 0 HD11 LEU A 90 54.557 117.078 69.744 1.00 37.80 H new ATOM 0 HD12 LEU A 90 53.760 118.074 68.502 1.00 37.80 H new ATOM 0 HD13 LEU A 90 55.532 117.908 68.507 1.00 37.80 H new ATOM 0 HD21 LEU A 90 55.913 118.169 71.538 1.00 38.08 H new ATOM 0 HD22 LEU A 90 56.885 118.999 70.300 1.00 38.08 H new ATOM 0 HD23 LEU A 90 56.078 119.940 71.577 1.00 38.08 H new ATOM 1323 N GLU A 91 56.065 123.537 69.805 1.00 0.00 N ATOM 1324 CA GLU A 91 56.591 124.785 69.166 1.00 0.00 C ATOM 1325 C GLU A 91 57.421 124.432 67.925 1.00 0.00 C ATOM 1326 O GLU A 91 57.604 125.242 67.037 1.00 0.00 O ATOM 1327 CB GLU A 91 57.483 125.440 70.226 1.00 0.00 C ATOM 1328 CG GLU A 91 56.667 125.706 71.496 1.00 0.00 C ATOM 1329 CD GLU A 91 57.553 126.360 72.565 1.00 0.00 C ATOM 1330 OE1 GLU A 91 58.765 126.233 72.473 1.00 0.00 O ATOM 1331 OE2 GLU A 91 57.002 126.980 73.458 1.00 0.00 O ATOM 0 H GLU A 91 56.610 123.193 70.596 1.00 0.00 H new ATOM 0 HA GLU A 91 55.787 125.447 68.844 1.00 0.00 H new ATOM 0 HB2 GLU A 91 58.329 124.791 70.455 1.00 0.00 H new ATOM 0 HB3 GLU A 91 57.893 126.375 69.843 1.00 0.00 H new ATOM 0 HG2 GLU A 91 55.822 126.355 71.266 1.00 0.00 H new ATOM 0 HG3 GLU A 91 56.256 124.771 71.876 1.00 0.00 H new ATOM 1338 N THR A 92 57.925 123.225 67.869 1.00 31.63 N ATOM 1339 CA THR A 92 58.749 122.793 66.705 1.00 28.98 C ATOM 1340 C THR A 92 57.895 121.967 65.736 1.00 28.33 C ATOM 1341 O THR A 92 57.161 121.091 66.155 1.00 29.20 O ATOM 1342 CB THR A 92 59.833 121.917 67.334 1.00 29.53 C ATOM 1343 OG1 THR A 92 60.347 122.563 68.491 1.00 29.23 O ATOM 1344 CG2 THR A 92 60.966 121.697 66.330 1.00 25.50 C ATOM 0 H THR A 92 57.798 122.514 68.590 1.00 31.63 H new ATOM 0 HA THR A 92 59.157 123.628 66.135 1.00 28.98 H new ATOM 0 HB THR A 92 59.404 120.954 67.611 1.00 29.53 H new ATOM 0 HG1 THR A 92 60.316 121.946 69.251 1.00 29.23 H new ATOM 0 HG21 THR A 92 61.736 121.072 66.782 1.00 25.50 H new ATOM 0 HG22 THR A 92 60.574 121.203 65.441 1.00 25.50 H new ATOM 0 HG23 THR A 92 61.396 122.659 66.051 1.00 25.50 H new ATOM 1352 N GLU A 93 57.975 122.230 64.453 1.00 0.00 N ATOM 1353 CA GLU A 93 57.148 121.441 63.483 1.00 0.00 C ATOM 1354 C GLU A 93 57.738 120.035 63.278 1.00 0.00 C ATOM 1355 O GLU A 93 57.123 119.190 62.653 1.00 0.00 O ATOM 1356 CB GLU A 93 57.182 122.240 62.179 1.00 0.00 C ATOM 1357 CG GLU A 93 56.047 121.771 61.262 1.00 0.00 C ATOM 1358 CD GLU A 93 56.064 122.568 59.952 1.00 0.00 C ATOM 1359 OE1 GLU A 93 56.642 123.644 59.933 1.00 0.00 O ATOM 1360 OE2 GLU A 93 55.492 122.089 58.987 1.00 0.00 O ATOM 0 H GLU A 93 58.569 122.948 64.039 1.00 0.00 H new ATOM 0 HA GLU A 93 56.129 121.298 63.843 1.00 0.00 H new ATOM 0 HB2 GLU A 93 57.077 123.304 62.389 1.00 0.00 H new ATOM 0 HB3 GLU A 93 58.143 122.106 61.683 1.00 0.00 H new ATOM 0 HG2 GLU A 93 56.156 120.707 61.051 1.00 0.00 H new ATOM 0 HG3 GLU A 93 55.088 121.900 61.763 1.00 0.00 H new ATOM 1367 N GLN A 94 58.907 119.770 63.810 1.00 0.00 N ATOM 1368 CA GLN A 94 59.515 118.413 63.659 1.00 0.00 C ATOM 1369 C GLN A 94 60.143 117.998 64.993 1.00 0.00 C ATOM 1370 O GLN A 94 60.627 118.845 65.722 1.00 0.00 O ATOM 1371 CB GLN A 94 60.591 118.571 62.575 1.00 0.00 C ATOM 1372 CG GLN A 94 61.611 119.637 62.992 1.00 0.00 C ATOM 1373 CD GLN A 94 62.651 119.812 61.883 1.00 0.00 C ATOM 1374 OE1 GLN A 94 62.311 119.853 60.718 1.00 0.00 O ATOM 1375 NE2 GLN A 94 63.913 119.915 62.199 1.00 0.00 N ATOM 0 H GLN A 94 59.466 120.437 64.343 1.00 0.00 H new ATOM 0 HA GLN A 94 58.788 117.649 63.384 1.00 0.00 H new ATOM 0 HB2 GLN A 94 61.096 117.619 62.412 1.00 0.00 H new ATOM 0 HB3 GLN A 94 60.127 118.852 61.630 1.00 0.00 H new ATOM 0 HG2 GLN A 94 61.106 120.584 63.183 1.00 0.00 H new ATOM 0 HG3 GLN A 94 62.100 119.343 63.921 1.00 0.00 H new ATOM 0 HE21 GLN A 94 64.198 119.881 63.178 1.00 0.00 H new ATOM 0 HE22 GLN A 94 64.614 120.030 61.467 1.00 0.00 H new ATOM 1384 N GLY A 95 60.152 116.727 65.338 1.00 27.89 N ATOM 1385 CA GLY A 95 60.774 116.352 66.648 1.00 28.05 C ATOM 1386 C GLY A 95 60.665 114.853 66.947 1.00 27.70 C ATOM 1387 O GLY A 95 59.966 114.111 66.287 1.00 25.89 O ATOM 0 H GLY A 95 59.769 115.958 64.788 1.00 27.89 H new ATOM 0 HA2 GLY A 95 61.825 116.642 66.643 1.00 28.05 H new ATOM 0 HA3 GLY A 95 60.292 116.914 67.448 1.00 28.05 H new ATOM 1391 N GLN A 96 61.369 114.426 67.968 1.00 0.00 N ATOM 1392 CA GLN A 96 61.352 112.988 68.384 1.00 0.00 C ATOM 1393 C GLN A 96 60.744 112.871 69.785 1.00 0.00 C ATOM 1394 O GLN A 96 61.128 113.587 70.690 1.00 0.00 O ATOM 1395 CB GLN A 96 62.826 112.556 68.438 1.00 0.00 C ATOM 1396 CG GLN A 96 63.538 112.900 67.125 1.00 0.00 C ATOM 1397 CD GLN A 96 64.576 111.823 66.806 1.00 0.00 C ATOM 1398 OE1 GLN A 96 64.271 110.647 66.814 1.00 0.00 O ATOM 1399 NE2 GLN A 96 65.801 112.176 66.525 1.00 0.00 N ATOM 0 H GLN A 96 61.965 115.024 68.540 1.00 0.00 H new ATOM 0 HA GLN A 96 60.768 112.373 67.699 1.00 0.00 H new ATOM 0 HB2 GLN A 96 63.326 113.053 69.270 1.00 0.00 H new ATOM 0 HB3 GLN A 96 62.890 111.484 68.622 1.00 0.00 H new ATOM 0 HG2 GLN A 96 62.813 112.972 66.314 1.00 0.00 H new ATOM 0 HG3 GLN A 96 64.022 113.873 67.206 1.00 0.00 H new ATOM 0 HE21 GLN A 96 66.058 113.163 66.518 1.00 0.00 H new ATOM 0 HE22 GLN A 96 66.501 111.465 66.313 1.00 0.00 H new ATOM 1408 N MET A 97 59.793 111.990 69.970 1.00 0.00 N ATOM 1409 CA MET A 97 59.158 111.850 71.317 1.00 0.00 C ATOM 1410 C MET A 97 59.197 110.397 71.803 1.00 0.00 C ATOM 1411 O MET A 97 58.661 109.506 71.172 1.00 0.00 O ATOM 1412 CB MET A 97 57.712 112.296 71.102 1.00 0.00 C ATOM 1413 CG MET A 97 57.673 113.804 70.845 1.00 0.00 C ATOM 1414 SD MET A 97 55.969 114.314 70.508 1.00 0.00 S ATOM 1415 CE MET A 97 55.322 114.064 72.180 1.00 0.00 C ATOM 0 H MET A 97 59.430 111.364 69.251 1.00 0.00 H new ATOM 0 HA MET A 97 59.677 112.438 72.074 1.00 0.00 H new ATOM 0 HB2 MET A 97 57.278 111.762 70.257 1.00 0.00 H new ATOM 0 HB3 MET A 97 57.111 112.050 71.978 1.00 0.00 H new ATOM 0 HG2 MET A 97 58.060 114.341 71.710 1.00 0.00 H new ATOM 0 HG3 MET A 97 58.314 114.057 70.000 1.00 0.00 H new ATOM 0 HE1 MET A 97 54.271 113.780 72.125 1.00 0.00 H new ATOM 0 HE2 MET A 97 55.886 113.273 72.674 1.00 0.00 H new ATOM 0 HE3 MET A 97 55.418 114.988 72.749 1.00 0.00 H new ATOM 1425 N GLN A 98 59.811 110.155 72.936 1.00 0.00 N ATOM 1426 CA GLN A 98 59.877 108.772 73.500 1.00 0.00 C ATOM 1427 C GLN A 98 59.305 108.797 74.917 1.00 0.00 C ATOM 1428 O GLN A 98 59.358 109.819 75.580 1.00 0.00 O ATOM 1429 CB GLN A 98 61.368 108.435 73.544 1.00 0.00 C ATOM 1430 CG GLN A 98 61.829 107.977 72.163 1.00 0.00 C ATOM 1431 CD GLN A 98 63.336 107.714 72.189 1.00 0.00 C ATOM 1432 OE1 GLN A 98 63.855 107.175 73.146 1.00 0.00 O ATOM 1433 NE2 GLN A 98 64.066 108.075 71.168 1.00 0.00 N ATOM 0 H GLN A 98 60.275 110.867 73.500 1.00 0.00 H new ATOM 0 HA GLN A 98 59.315 108.044 72.915 1.00 0.00 H new ATOM 0 HB2 GLN A 98 61.940 109.308 73.859 1.00 0.00 H new ATOM 0 HB3 GLN A 98 61.553 107.651 74.279 1.00 0.00 H new ATOM 0 HG2 GLN A 98 61.296 107.072 71.872 1.00 0.00 H new ATOM 0 HG3 GLN A 98 61.595 108.738 71.419 1.00 0.00 H new ATOM 0 HE21 GLN A 98 63.631 108.528 70.364 1.00 0.00 H new ATOM 0 HE22 GLN A 98 65.072 107.904 71.174 1.00 0.00 H new ATOM 1442 N GLY A 99 58.753 107.706 75.396 1.00 29.62 N ATOM 1443 CA GLY A 99 58.183 107.734 76.782 1.00 28.62 C ATOM 1444 C GLY A 99 58.037 106.323 77.343 1.00 28.62 C ATOM 1445 O GLY A 99 58.287 105.344 76.669 1.00 29.22 O ATOM 0 H GLY A 99 58.673 106.818 74.901 1.00 29.62 H new ATOM 0 HA2 GLY A 99 58.830 108.323 77.433 1.00 28.62 H new ATOM 0 HA3 GLY A 99 57.211 108.226 76.769 1.00 28.62 H new ATOM 1449 N HIS A 100 57.625 106.221 78.582 1.00 0.00 N ATOM 1450 CA HIS A 100 57.442 104.881 79.208 1.00 0.00 C ATOM 1451 C HIS A 100 56.144 104.865 80.023 1.00 0.00 C ATOM 1452 O HIS A 100 55.641 105.899 80.424 1.00 0.00 O ATOM 1453 CB HIS A 100 58.659 104.681 80.113 1.00 0.00 C ATOM 1454 CG HIS A 100 59.907 104.609 79.278 1.00 0.00 C ATOM 1455 ND1 HIS A 100 60.472 105.732 78.692 1.00 0.00 N ATOM 1456 CD2 HIS A 100 60.715 103.556 78.925 1.00 0.00 C ATOM 1457 CE1 HIS A 100 61.569 105.332 78.023 1.00 0.00 C ATOM 1458 NE2 HIS A 100 61.764 104.015 78.133 1.00 0.00 N ATOM 0 H HIS A 100 57.407 107.013 79.187 1.00 0.00 H new ATOM 0 HA HIS A 100 57.367 104.084 78.468 1.00 0.00 H new ATOM 0 HB2 HIS A 100 58.733 105.503 80.825 1.00 0.00 H new ATOM 0 HB3 HIS A 100 58.546 103.766 80.694 1.00 0.00 H new ATOM 0 HD2 HIS A 100 60.560 102.528 79.217 1.00 0.00 H new ATOM 0 HE1 HIS A 100 62.213 105.995 77.465 1.00 0.00 H new ATOM 0 HE2 HIS A 100 62.519 103.464 77.725 1.00 0.00 H new ATOM 1466 N TYR A 101 55.601 103.702 80.264 1.00 25.77 N ATOM 1467 CA TYR A 101 54.331 103.606 81.047 1.00 25.79 C ATOM 1468 C TYR A 101 54.575 102.840 82.348 1.00 26.52 C ATOM 1469 O TYR A 101 55.064 101.728 82.328 1.00 27.05 O ATOM 1470 CB TYR A 101 53.363 102.826 80.149 1.00 24.67 C ATOM 1471 CG TYR A 101 52.784 103.723 79.072 1.00 23.27 C ATOM 1472 CD1 TYR A 101 52.320 105.012 79.382 1.00 20.31 C ATOM 1473 CD2 TYR A 101 52.712 103.256 77.753 1.00 23.52 C ATOM 1474 CE1 TYR A 101 51.785 105.825 78.375 1.00 23.58 C ATOM 1475 CE2 TYR A 101 52.178 104.070 76.749 1.00 24.17 C ATOM 1476 CZ TYR A 101 51.715 105.354 77.058 1.00 23.58 C ATOM 1477 OH TYR A 101 51.189 106.155 76.066 1.00 25.91 O ATOM 0 H TYR A 101 55.983 102.809 79.952 1.00 25.77 H new ATOM 0 HA TYR A 101 53.939 104.587 81.315 1.00 25.79 H new ATOM 0 HB2 TYR A 101 53.884 101.987 79.688 1.00 24.67 H new ATOM 0 HB3 TYR A 101 52.557 102.408 80.752 1.00 24.67 H new ATOM 0 HD1 TYR A 101 52.376 105.376 80.397 1.00 20.31 H new ATOM 0 HD2 TYR A 101 53.069 102.266 77.511 1.00 23.52 H new ATOM 0 HE1 TYR A 101 51.426 106.815 78.614 1.00 23.58 H new ATOM 0 HE2 TYR A 101 52.123 103.707 75.733 1.00 24.17 H new ATOM 0 HH TYR A 101 51.837 106.851 75.829 1.00 25.91 H new ATOM 1487 N ASP A 102 54.205 103.394 83.476 1.00 0.00 N ATOM 1488 CA ASP A 102 54.386 102.657 84.762 1.00 0.00 C ATOM 1489 C ASP A 102 53.174 101.750 84.983 1.00 0.00 C ATOM 1490 O ASP A 102 52.048 102.201 85.072 1.00 0.00 O ATOM 1491 CB ASP A 102 54.495 103.725 85.852 1.00 0.00 C ATOM 1492 CG ASP A 102 54.871 103.066 87.182 1.00 0.00 C ATOM 1493 OD1 ASP A 102 54.465 101.937 87.399 1.00 0.00 O ATOM 1494 OD2 ASP A 102 55.558 103.706 87.962 1.00 0.00 O ATOM 0 H ASP A 102 53.787 104.321 83.561 1.00 0.00 H new ATOM 0 HA ASP A 102 55.274 102.025 84.767 1.00 0.00 H new ATOM 0 HB2 ASP A 102 55.246 104.465 85.576 1.00 0.00 H new ATOM 0 HB3 ASP A 102 53.548 104.255 85.952 1.00 0.00 H new ATOM 1499 N MET A 103 53.416 100.469 85.057 1.00 0.00 N ATOM 1500 CA MET A 103 52.312 99.488 85.254 1.00 0.00 C ATOM 1501 C MET A 103 52.559 98.655 86.513 1.00 0.00 C ATOM 1502 O MET A 103 53.669 98.572 87.005 1.00 0.00 O ATOM 1503 CB MET A 103 52.373 98.598 84.012 1.00 0.00 C ATOM 1504 CG MET A 103 51.002 97.973 83.755 1.00 0.00 C ATOM 1505 SD MET A 103 49.925 99.187 82.951 1.00 0.00 S ATOM 1506 CE MET A 103 48.791 98.006 82.180 1.00 0.00 C ATOM 0 H MET A 103 54.346 100.056 84.988 1.00 0.00 H new ATOM 0 HA MET A 103 51.342 99.970 85.379 1.00 0.00 H new ATOM 0 HB2 MET A 103 52.683 99.185 83.148 1.00 0.00 H new ATOM 0 HB3 MET A 103 53.119 97.816 84.150 1.00 0.00 H new ATOM 0 HG2 MET A 103 51.106 97.090 83.125 1.00 0.00 H new ATOM 0 HG3 MET A 103 50.559 97.644 84.695 1.00 0.00 H new ATOM 0 HE1 MET A 103 49.034 97.905 81.122 1.00 0.00 H new ATOM 0 HE2 MET A 103 48.888 97.037 82.669 1.00 0.00 H new ATOM 0 HE3 MET A 103 47.767 98.364 82.284 1.00 0.00 H new ATOM 1516 N VAL A 104 51.530 98.039 87.034 1.00 21.01 N ATOM 1517 CA VAL A 104 51.692 97.203 88.263 1.00 21.69 C ATOM 1518 C VAL A 104 50.869 95.919 88.138 1.00 22.60 C ATOM 1519 O VAL A 104 49.691 95.956 87.835 1.00 22.32 O ATOM 1520 CB VAL A 104 51.165 98.054 89.433 1.00 22.67 C ATOM 1521 CG1 VAL A 104 52.169 99.163 89.752 1.00 23.22 C ATOM 1522 CG2 VAL A 104 49.805 98.677 89.084 1.00 23.28 C ATOM 0 H VAL A 104 50.581 98.078 86.661 1.00 21.01 H new ATOM 0 HA VAL A 104 52.733 96.916 88.414 1.00 21.69 H new ATOM 0 HB VAL A 104 51.039 97.409 90.302 1.00 22.67 H new ATOM 0 HG11 VAL A 104 51.795 99.765 90.580 1.00 23.22 H new ATOM 0 HG12 VAL A 104 53.125 98.719 90.028 1.00 23.22 H new ATOM 0 HG13 VAL A 104 52.303 99.796 88.875 1.00 23.22 H new ATOM 0 HG21 VAL A 104 49.452 99.274 89.925 1.00 23.28 H new ATOM 0 HG22 VAL A 104 49.911 99.314 88.206 1.00 23.28 H new ATOM 0 HG23 VAL A 104 49.086 97.886 88.873 1.00 23.28 H new ATOM 1532 N ALA A 105 51.478 94.787 88.384 1.00 0.00 N ATOM 1533 CA ALA A 105 50.729 93.496 88.295 1.00 0.00 C ATOM 1534 C ALA A 105 49.729 93.402 89.447 1.00 0.00 C ATOM 1535 O ALA A 105 49.807 94.147 90.406 1.00 0.00 O ATOM 1536 CB ALA A 105 51.792 92.403 88.422 1.00 0.00 C ATOM 0 H ALA A 105 52.461 94.700 88.643 1.00 0.00 H new ATOM 0 HA ALA A 105 50.167 93.405 87.365 1.00 0.00 H new ATOM 0 HB1 ALA A 105 51.316 91.424 88.365 1.00 0.00 H new ATOM 0 HB2 ALA A 105 52.515 92.502 87.612 1.00 0.00 H new ATOM 0 HB3 ALA A 105 52.304 92.503 89.379 1.00 0.00 H new ATOM 1542 N ASP A 106 48.787 92.496 89.358 1.00 0.00 N ATOM 1543 CA ASP A 106 47.776 92.361 90.451 1.00 0.00 C ATOM 1544 C ASP A 106 48.461 91.937 91.753 1.00 0.00 C ATOM 1545 O ASP A 106 47.991 92.236 92.835 1.00 0.00 O ATOM 1546 CB ASP A 106 46.809 91.275 89.975 1.00 0.00 C ATOM 1547 CG ASP A 106 45.581 91.239 90.890 1.00 0.00 C ATOM 1548 OD1 ASP A 106 45.735 91.516 92.069 1.00 0.00 O ATOM 1549 OD2 ASP A 106 44.508 90.932 90.397 1.00 0.00 O ATOM 0 H ASP A 106 48.675 91.847 88.579 1.00 0.00 H new ATOM 0 HA ASP A 106 47.261 93.300 90.652 1.00 0.00 H new ATOM 0 HB2 ASP A 106 46.503 91.472 88.948 1.00 0.00 H new ATOM 0 HB3 ASP A 106 47.306 90.305 89.979 1.00 0.00 H new ATOM 1554 N ASP A 107 49.564 91.237 91.656 1.00 0.00 N ATOM 1555 CA ASP A 107 50.279 90.782 92.888 1.00 0.00 C ATOM 1556 C ASP A 107 51.108 91.918 93.503 1.00 0.00 C ATOM 1557 O ASP A 107 51.647 91.775 94.585 1.00 0.00 O ATOM 1558 CB ASP A 107 51.194 89.648 92.422 1.00 0.00 C ATOM 1559 CG ASP A 107 50.351 88.427 92.045 1.00 0.00 C ATOM 1560 OD1 ASP A 107 49.319 88.228 92.667 1.00 0.00 O ATOM 1561 OD2 ASP A 107 50.750 87.712 91.142 1.00 0.00 O ATOM 0 H ASP A 107 50.000 90.961 90.776 1.00 0.00 H new ATOM 0 HA ASP A 107 49.579 90.461 93.660 1.00 0.00 H new ATOM 0 HB2 ASP A 107 51.784 89.973 91.565 1.00 0.00 H new ATOM 0 HB3 ASP A 107 51.897 89.387 93.213 1.00 0.00 H new ATOM 1566 N GLY A 108 51.218 93.042 92.834 1.00 30.43 N ATOM 1567 CA GLY A 108 52.015 94.172 93.395 1.00 29.11 C ATOM 1568 C GLY A 108 53.362 94.292 92.670 1.00 29.35 C ATOM 1569 O GLY A 108 54.099 95.236 92.888 1.00 30.17 O ATOM 0 H GLY A 108 50.790 93.222 91.926 1.00 30.43 H new ATOM 0 HA2 GLY A 108 51.457 95.103 93.295 1.00 29.11 H new ATOM 0 HA3 GLY A 108 52.182 94.013 94.460 1.00 29.11 H new ATOM 1573 N THR A 109 53.699 93.351 91.812 1.00 0.00 N ATOM 1574 CA THR A 109 55.009 93.434 91.085 1.00 0.00 C ATOM 1575 C THR A 109 55.088 94.746 90.296 1.00 0.00 C ATOM 1576 O THR A 109 54.138 95.135 89.642 1.00 0.00 O ATOM 1577 CB THR A 109 55.015 92.237 90.130 1.00 0.00 C ATOM 1578 OG1 THR A 109 54.677 91.058 90.849 1.00 0.00 O ATOM 1579 CG2 THR A 109 56.406 92.081 89.515 1.00 0.00 C ATOM 0 H THR A 109 53.128 92.537 91.587 1.00 0.00 H new ATOM 0 HA THR A 109 55.860 93.414 91.766 1.00 0.00 H new ATOM 0 HB THR A 109 54.286 92.400 89.336 1.00 0.00 H new ATOM 0 HG1 THR A 109 54.679 90.291 90.239 1.00 0.00 H new ATOM 0 HG21 THR A 109 56.410 91.229 88.835 1.00 0.00 H new ATOM 0 HG22 THR A 109 56.664 92.986 88.964 1.00 0.00 H new ATOM 0 HG23 THR A 109 57.137 91.917 90.306 1.00 0.00 H new ATOM 1587 N GLU A 110 56.201 95.436 90.359 1.00 0.00 N ATOM 1588 CA GLU A 110 56.317 96.727 89.614 1.00 0.00 C ATOM 1589 C GLU A 110 57.124 96.543 88.324 1.00 0.00 C ATOM 1590 O GLU A 110 58.124 95.852 88.295 1.00 0.00 O ATOM 1591 CB GLU A 110 57.031 97.681 90.573 1.00 0.00 C ATOM 1592 CG GLU A 110 57.140 99.066 89.933 1.00 0.00 C ATOM 1593 CD GLU A 110 57.856 100.019 90.894 1.00 0.00 C ATOM 1594 OE1 GLU A 110 58.746 99.565 91.594 1.00 0.00 O ATOM 1595 OE2 GLU A 110 57.501 101.186 90.913 1.00 0.00 O ATOM 0 H GLU A 110 57.028 95.163 90.890 1.00 0.00 H new ATOM 0 HA GLU A 110 55.342 97.110 89.312 1.00 0.00 H new ATOM 0 HB2 GLU A 110 56.483 97.746 91.513 1.00 0.00 H new ATOM 0 HB3 GLU A 110 58.024 97.299 90.809 1.00 0.00 H new ATOM 0 HG2 GLU A 110 57.688 99.002 88.993 1.00 0.00 H new ATOM 0 HG3 GLU A 110 56.147 99.449 89.698 1.00 0.00 H new ATOM 1602 N PHE A 111 56.691 97.171 87.262 1.00 27.41 N ATOM 1603 CA PHE A 111 57.415 97.065 85.961 1.00 27.50 C ATOM 1604 C PHE A 111 56.928 98.165 85.007 1.00 28.03 C ATOM 1605 O PHE A 111 55.768 98.531 85.003 1.00 27.72 O ATOM 1606 CB PHE A 111 57.102 95.653 85.429 1.00 26.12 C ATOM 1607 CG PHE A 111 55.648 95.538 85.018 1.00 24.47 C ATOM 1608 CD1 PHE A 111 54.672 95.219 85.970 1.00 23.96 C ATOM 1609 CD2 PHE A 111 55.282 95.747 83.684 1.00 25.33 C ATOM 1610 CE1 PHE A 111 53.330 95.110 85.586 1.00 24.08 C ATOM 1611 CE2 PHE A 111 53.941 95.637 83.299 1.00 24.17 C ATOM 1612 CZ PHE A 111 52.964 95.318 84.251 1.00 23.73 C ATOM 0 H PHE A 111 55.858 97.759 87.241 1.00 27.41 H new ATOM 0 HA PHE A 111 58.491 97.203 86.063 1.00 27.50 H new ATOM 0 HB2 PHE A 111 57.743 95.431 84.576 1.00 26.12 H new ATOM 0 HB3 PHE A 111 57.326 94.913 86.197 1.00 26.12 H new ATOM 0 HD1 PHE A 111 54.954 95.057 87.000 1.00 23.96 H new ATOM 0 HD2 PHE A 111 56.035 95.994 82.950 1.00 25.33 H new ATOM 0 HE1 PHE A 111 52.577 94.865 86.320 1.00 24.08 H new ATOM 0 HE2 PHE A 111 53.660 95.798 82.269 1.00 24.17 H new ATOM 0 HZ PHE A 111 51.929 95.233 83.955 1.00 23.73 H new ATOM 1622 N ILE A 112 57.821 98.704 84.216 1.00 0.00 N ATOM 1623 CA ILE A 112 57.438 99.799 83.274 1.00 0.00 C ATOM 1624 C ILE A 112 57.272 99.258 81.848 1.00 0.00 C ATOM 1625 O ILE A 112 57.823 98.236 81.490 1.00 0.00 O ATOM 1626 CB ILE A 112 58.599 100.800 83.340 1.00 0.00 C ATOM 1627 CG1 ILE A 112 58.753 101.313 84.775 1.00 0.00 C ATOM 1628 CG2 ILE A 112 58.314 101.986 82.413 1.00 0.00 C ATOM 1629 CD1 ILE A 112 60.053 102.111 84.895 1.00 0.00 C ATOM 0 H ILE A 112 58.803 98.431 84.182 1.00 0.00 H new ATOM 0 HA ILE A 112 56.485 100.255 83.544 1.00 0.00 H new ATOM 0 HB ILE A 112 59.516 100.303 83.025 1.00 0.00 H new ATOM 0 HG12 ILE A 112 57.903 101.941 85.041 1.00 0.00 H new ATOM 0 HG13 ILE A 112 58.762 100.476 85.473 1.00 0.00 H new ATOM 0 HG21 ILE A 112 59.141 102.694 82.463 1.00 0.00 H new ATOM 0 HG22 ILE A 112 58.204 101.629 81.389 1.00 0.00 H new ATOM 0 HG23 ILE A 112 57.394 102.480 82.726 1.00 0.00 H new ATOM 0 HD11 ILE A 112 60.163 102.476 85.916 1.00 0.00 H new ATOM 0 HD12 ILE A 112 60.898 101.469 84.646 1.00 0.00 H new ATOM 0 HD13 ILE A 112 60.025 102.957 84.208 1.00 0.00 H new ATOM 1641 N ALA A 113 56.528 99.961 81.033 1.00 0.00 N ATOM 1642 CA ALA A 113 56.325 99.532 79.620 1.00 0.00 C ATOM 1643 C ALA A 113 56.842 100.638 78.687 1.00 0.00 C ATOM 1644 O ALA A 113 56.151 101.606 78.436 1.00 0.00 O ATOM 1645 CB ALA A 113 54.815 99.351 79.465 1.00 0.00 C ATOM 0 H ALA A 113 56.048 100.823 81.291 1.00 0.00 H new ATOM 0 HA ALA A 113 56.857 98.613 79.373 1.00 0.00 H new ATOM 0 HB1 ALA A 113 54.589 99.035 78.447 1.00 0.00 H new ATOM 0 HB2 ALA A 113 54.465 98.593 80.166 1.00 0.00 H new ATOM 0 HB3 ALA A 113 54.312 100.296 79.671 1.00 0.00 H new ATOM 1651 N PRO A 114 58.058 100.466 78.220 1.00 31.26 N ATOM 1652 CA PRO A 114 58.646 101.507 77.328 1.00 32.26 C ATOM 1653 C PRO A 114 57.804 101.736 76.068 1.00 31.77 C ATOM 1654 O PRO A 114 57.240 100.827 75.491 1.00 33.24 O ATOM 1655 CB PRO A 114 60.020 100.955 76.959 1.00 32.64 C ATOM 1656 CG PRO A 114 59.891 99.482 77.115 1.00 33.31 C ATOM 1657 CD PRO A 114 58.902 99.254 78.224 1.00 32.61 C ATOM 0 HA PRO A 114 58.692 102.476 77.824 1.00 32.26 H new ATOM 0 HB2 PRO A 114 60.293 101.222 75.938 1.00 32.64 H new ATOM 0 HB3 PRO A 114 60.796 101.356 77.612 1.00 32.64 H new ATOM 0 HG2 PRO A 114 59.547 99.023 76.188 1.00 33.31 H new ATOM 0 HG3 PRO A 114 60.854 99.032 77.356 1.00 33.31 H new ATOM 0 HD2 PRO A 114 58.309 98.356 78.049 1.00 32.61 H new ATOM 0 HD3 PRO A 114 59.404 99.123 79.183 1.00 32.61 H new ATOM 1665 N ILE A 115 57.751 102.972 75.646 1.00 30.59 N ATOM 1666 CA ILE A 115 56.985 103.345 74.419 1.00 30.04 C ATOM 1667 C ILE A 115 57.976 103.699 73.310 1.00 30.45 C ATOM 1668 O ILE A 115 58.810 104.578 73.469 1.00 30.15 O ATOM 1669 CB ILE A 115 56.152 104.577 74.800 1.00 29.44 C ATOM 1670 CG1 ILE A 115 55.272 104.262 76.017 1.00 29.23 C ATOM 1671 CG2 ILE A 115 55.257 104.966 73.623 1.00 25.80 C ATOM 1672 CD1 ILE A 115 54.770 105.569 76.633 1.00 28.50 C ATOM 0 H ILE A 115 58.215 103.754 76.109 1.00 30.59 H new ATOM 0 HA ILE A 115 56.347 102.536 74.064 1.00 30.04 H new ATOM 0 HB ILE A 115 56.824 105.399 75.045 1.00 29.44 H new ATOM 0 HG12 ILE A 115 54.428 103.640 75.718 1.00 29.23 H new ATOM 0 HG13 ILE A 115 55.841 103.695 76.754 1.00 29.23 H new ATOM 0 HG21 ILE A 115 54.664 105.841 73.890 1.00 25.80 H new ATOM 0 HG22 ILE A 115 55.876 105.198 72.756 1.00 25.80 H new ATOM 0 HG23 ILE A 115 54.592 104.137 73.382 1.00 25.80 H new ATOM 0 HD11 ILE A 115 54.145 105.347 77.498 1.00 28.50 H new ATOM 0 HD12 ILE A 115 55.621 106.174 76.946 1.00 28.50 H new ATOM 0 HD13 ILE A 115 54.186 106.119 75.895 1.00 28.50 H new ATOM 1684 N ALA A 116 57.889 103.016 72.193 1.00 30.78 N ATOM 1685 CA ALA A 116 58.825 103.275 71.048 1.00 29.78 C ATOM 1686 C ALA A 116 58.927 104.770 70.735 1.00 29.57 C ATOM 1687 O ALA A 116 58.194 105.579 71.271 1.00 28.51 O ATOM 1688 CB ALA A 116 58.217 102.527 69.860 1.00 27.76 C ATOM 0 H ALA A 116 57.202 102.282 72.023 1.00 30.78 H new ATOM 0 HA ALA A 116 59.836 102.941 71.279 1.00 29.78 H new ATOM 0 HB1 ALA A 116 58.846 102.668 68.981 1.00 27.76 H new ATOM 0 HB2 ALA A 116 58.153 101.464 70.093 1.00 27.76 H new ATOM 0 HB3 ALA A 116 57.219 102.915 69.658 1.00 27.76 H new ATOM 1694 N ALA A 117 59.843 105.137 69.875 1.00 0.00 N ATOM 1695 CA ALA A 117 60.017 106.574 69.525 1.00 0.00 C ATOM 1696 C ALA A 117 59.374 106.886 68.173 1.00 0.00 C ATOM 1697 O ALA A 117 59.737 106.321 67.158 1.00 0.00 O ATOM 1698 CB ALA A 117 61.530 106.774 69.442 1.00 0.00 C ATOM 0 H ALA A 117 60.480 104.498 69.399 1.00 0.00 H new ATOM 0 HA ALA A 117 59.546 107.230 70.257 1.00 0.00 H new ATOM 0 HB1 ALA A 117 61.746 107.811 69.187 1.00 0.00 H new ATOM 0 HB2 ALA A 117 61.982 106.535 70.405 1.00 0.00 H new ATOM 0 HB3 ALA A 117 61.942 106.118 68.675 1.00 0.00 H new ATOM 1704 N PHE A 118 58.451 107.808 68.152 1.00 29.64 N ATOM 1705 CA PHE A 118 57.806 108.201 66.866 1.00 29.08 C ATOM 1706 C PHE A 118 58.257 109.618 66.521 1.00 30.66 C ATOM 1707 O PHE A 118 58.655 110.370 67.392 1.00 30.55 O ATOM 1708 CB PHE A 118 56.291 108.127 67.100 1.00 25.73 C ATOM 1709 CG PHE A 118 55.882 109.011 68.257 1.00 23.37 C ATOM 1710 CD1 PHE A 118 55.566 110.355 68.033 1.00 22.18 C ATOM 1711 CD2 PHE A 118 55.804 108.478 69.550 1.00 22.99 C ATOM 1712 CE1 PHE A 118 55.175 111.170 69.104 1.00 21.08 C ATOM 1713 CE2 PHE A 118 55.411 109.291 70.619 1.00 21.66 C ATOM 1714 CZ PHE A 118 55.097 110.637 70.397 1.00 21.66 C ATOM 0 H PHE A 118 58.114 108.309 68.974 1.00 29.64 H new ATOM 0 HA PHE A 118 58.079 107.551 66.035 1.00 29.08 H new ATOM 0 HB2 PHE A 118 55.764 108.435 66.197 1.00 25.73 H new ATOM 0 HB3 PHE A 118 56.000 107.096 67.303 1.00 25.73 H new ATOM 0 HD1 PHE A 118 55.623 110.764 67.035 1.00 22.18 H new ATOM 0 HD2 PHE A 118 56.047 107.440 69.722 1.00 22.99 H new ATOM 0 HE1 PHE A 118 54.934 112.209 68.932 1.00 21.08 H new ATOM 0 HE2 PHE A 118 55.350 108.880 71.616 1.00 21.66 H new ATOM 0 HZ PHE A 118 54.795 111.264 71.222 1.00 21.66 H new ATOM 1724 N VAL A 119 58.216 109.994 65.268 1.00 0.00 N ATOM 1725 CA VAL A 119 58.662 111.369 64.891 1.00 0.00 C ATOM 1726 C VAL A 119 57.494 112.177 64.327 1.00 0.00 C ATOM 1727 O VAL A 119 56.539 111.633 63.805 1.00 0.00 O ATOM 1728 CB VAL A 119 59.747 111.163 63.826 1.00 0.00 C ATOM 1729 CG1 VAL A 119 60.295 112.521 63.378 1.00 0.00 C ATOM 1730 CG2 VAL A 119 60.890 110.329 64.412 1.00 0.00 C ATOM 0 H VAL A 119 57.895 109.412 64.494 1.00 0.00 H new ATOM 0 HA VAL A 119 59.038 111.926 65.749 1.00 0.00 H new ATOM 0 HB VAL A 119 59.314 110.644 62.971 1.00 0.00 H new ATOM 0 HG11 VAL A 119 61.065 112.371 62.622 1.00 0.00 H new ATOM 0 HG12 VAL A 119 59.486 113.119 62.958 1.00 0.00 H new ATOM 0 HG13 VAL A 119 60.724 113.041 64.235 1.00 0.00 H new ATOM 0 HG21 VAL A 119 61.660 110.184 63.654 1.00 0.00 H new ATOM 0 HG22 VAL A 119 61.318 110.849 65.269 1.00 0.00 H new ATOM 0 HG23 VAL A 119 60.507 109.360 64.731 1.00 0.00 H new ATOM 1740 N LEU A 120 57.578 113.476 64.427 1.00 36.62 N ATOM 1741 CA LEU A 120 56.493 114.349 63.897 1.00 37.66 C ATOM 1742 C LEU A 120 57.026 115.140 62.703 1.00 38.64 C ATOM 1743 O LEU A 120 58.098 115.713 62.763 1.00 37.83 O ATOM 1744 CB LEU A 120 56.117 115.299 65.044 1.00 38.14 C ATOM 1745 CG LEU A 120 55.340 114.547 66.134 1.00 37.94 C ATOM 1746 CD1 LEU A 120 56.270 113.589 66.885 1.00 39.15 C ATOM 1747 CD2 LEU A 120 54.751 115.559 67.121 1.00 37.30 C ATOM 0 H LEU A 120 58.358 113.973 64.857 1.00 36.62 H new ATOM 0 HA LEU A 120 55.627 113.777 63.563 1.00 37.66 H new ATOM 0 HB2 LEU A 120 57.019 115.739 65.470 1.00 38.14 H new ATOM 0 HB3 LEU A 120 55.513 116.121 64.660 1.00 38.14 H new ATOM 0 HG LEU A 120 54.541 113.971 65.668 1.00 37.94 H new ATOM 0 HD11 LEU A 120 55.706 113.063 67.655 1.00 39.15 H new ATOM 0 HD12 LEU A 120 56.690 112.867 66.185 1.00 39.15 H new ATOM 0 HD13 LEU A 120 57.077 114.155 67.350 1.00 39.15 H new ATOM 0 HD21 LEU A 120 54.198 115.030 67.897 1.00 37.30 H new ATOM 0 HD22 LEU A 120 55.557 116.134 67.577 1.00 37.30 H new ATOM 0 HD23 LEU A 120 54.078 116.234 66.592 1.00 37.30 H new ATOM 1759 N SER A 121 56.291 115.165 61.621 1.00 0.00 N ATOM 1760 CA SER A 121 56.748 115.913 60.412 1.00 0.00 C ATOM 1761 C SER A 121 55.541 116.342 59.573 1.00 0.00 C ATOM 1762 O SER A 121 55.670 116.686 58.414 1.00 0.00 O ATOM 1763 CB SER A 121 57.615 114.922 59.637 1.00 0.00 C ATOM 1764 OG SER A 121 58.158 115.568 58.494 1.00 0.00 O ATOM 0 H SER A 121 55.390 114.697 61.523 1.00 0.00 H new ATOM 0 HA SER A 121 57.297 116.819 60.668 1.00 0.00 H new ATOM 0 HB2 SER A 121 58.417 114.548 60.273 1.00 0.00 H new ATOM 0 HB3 SER A 121 57.020 114.060 59.334 1.00 0.00 H new ATOM 0 HG SER A 121 57.487 116.169 58.108 1.00 0.00 H new TER 1770 SER A 121