USER MOD reduce.3.24.130724 H: found=0, std=0, add=754, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 746 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 64 HIS : no HE2:sc= 0 X(o=0.15,f=0.062) USER MOD Set 1.2: A 112 HIS : no HD1:sc= 0.15 K(o=0.15,f=-4.3!) USER MOD Set 2.1: A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 102 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 7 HIS : no HD1:sc= 0.916 K(o=1.7,f=-5.4!) USER MOD Set 3.2: A 9 HIS : no HD1:sc= 0.808 K(o=1.7,f=-5.4!) USER MOD Set 4.1: A 4 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 6 HIS : no HD1:sc= -0.184 X(o=-0.18,f=-0.12) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.0023) USER MOD Single : A 8 HIS : no HD1:sc= -0.0169 X(o=-0.017,f=-0.017) USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= 0.747 K(o=0.75,f=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.0167 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.382 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 101 MET CE :methyl -138:sc= -3.42! (180deg=-5.24!) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 46.248 108.150 9.960 1.00 0.00 N ATOM 2 CA MET A 1 46.704 107.190 8.908 1.00 0.00 C ATOM 3 C MET A 1 47.809 106.264 9.455 1.00 0.00 C ATOM 4 O MET A 1 48.996 106.582 9.360 1.00 0.00 O ATOM 5 CB MET A 1 47.137 107.952 7.627 1.00 0.00 C ATOM 6 CG MET A 1 47.458 107.037 6.436 1.00 0.00 C ATOM 7 SD MET A 1 47.892 107.941 4.922 1.00 0.00 S ATOM 8 CE MET A 1 48.222 106.545 3.811 1.00 0.00 C ATOM 0 H1 MET A 1 45.504 108.764 9.571 1.00 0.00 H new ATOM 0 H2 MET A 1 45.871 107.621 10.772 1.00 0.00 H new ATOM 0 H3 MET A 1 47.051 108.733 10.269 1.00 0.00 H new ATOM 0 HA MET A 1 45.870 106.547 8.627 1.00 0.00 H new ATOM 0 HB2 MET A 1 46.342 108.640 7.340 1.00 0.00 H new ATOM 0 HB3 MET A 1 48.015 108.556 7.855 1.00 0.00 H new ATOM 0 HG2 MET A 1 48.284 106.379 6.706 1.00 0.00 H new ATOM 0 HG3 MET A 1 46.596 106.400 6.235 1.00 0.00 H new ATOM 0 HE1 MET A 1 48.505 106.921 2.828 1.00 0.00 H new ATOM 0 HE2 MET A 1 49.034 105.942 4.216 1.00 0.00 H new ATOM 0 HE3 MET A 1 47.325 105.932 3.720 1.00 0.00 H new ATOM 20 N ARG A 2 47.425 105.130 10.066 1.00 0.00 N ATOM 21 CA ARG A 2 48.327 104.109 10.659 1.00 0.00 C ATOM 22 C ARG A 2 47.807 102.678 10.429 1.00 0.00 C ATOM 23 O ARG A 2 46.614 102.477 10.200 1.00 0.00 O ATOM 24 CB ARG A 2 48.486 104.353 12.178 1.00 0.00 C ATOM 25 CG ARG A 2 49.267 105.630 12.534 1.00 0.00 C ATOM 26 CD ARG A 2 49.475 105.774 14.047 1.00 0.00 C ATOM 27 NE ARG A 2 50.392 104.745 14.585 1.00 0.00 N ATOM 28 CZ ARG A 2 50.510 104.368 15.848 1.00 0.00 C ATOM 29 NH1 ARG A 2 49.801 104.901 16.803 1.00 0.00 N ATOM 30 NH2 ARG A 2 51.359 103.437 16.179 1.00 0.00 N ATOM 0 H ARG A 2 46.441 104.883 10.168 1.00 0.00 H new ATOM 0 HA ARG A 2 49.292 104.206 10.162 1.00 0.00 H new ATOM 0 HB2 ARG A 2 47.496 104.408 12.631 1.00 0.00 H new ATOM 0 HB3 ARG A 2 48.992 103.496 12.621 1.00 0.00 H new ATOM 0 HG2 ARG A 2 50.236 105.613 12.035 1.00 0.00 H new ATOM 0 HG3 ARG A 2 48.730 106.500 12.158 1.00 0.00 H new ATOM 0 HD2 ARG A 2 49.875 106.764 14.264 1.00 0.00 H new ATOM 0 HD3 ARG A 2 48.512 105.701 14.553 1.00 0.00 H new ATOM 0 HE ARG A 2 50.997 104.277 13.911 1.00 0.00 H new ATOM 0 HH11 ARG A 2 49.127 105.636 16.588 1.00 0.00 H new ATOM 0 HH12 ARG A 2 49.920 104.583 17.765 1.00 0.00 H new ATOM 0 HH21 ARG A 2 51.936 102.995 15.463 1.00 0.00 H new ATOM 0 HH22 ARG A 2 51.446 103.150 17.154 1.00 0.00 H new ATOM 44 N GLY A 3 48.698 101.690 10.560 1.00 0.00 N ATOM 45 CA GLY A 3 48.364 100.261 10.664 1.00 0.00 C ATOM 46 C GLY A 3 47.930 99.600 9.350 1.00 0.00 C ATOM 47 O GLY A 3 46.740 99.361 9.133 1.00 0.00 O ATOM 0 H GLY A 3 49.702 101.865 10.598 1.00 0.00 H new ATOM 0 HA2 GLY A 3 49.232 99.728 11.052 1.00 0.00 H new ATOM 0 HA3 GLY A 3 47.564 100.142 11.395 1.00 0.00 H new ATOM 51 N SER A 4 48.900 99.263 8.491 1.00 0.00 N ATOM 52 CA SER A 4 48.695 98.454 7.276 1.00 0.00 C ATOM 53 C SER A 4 49.931 97.601 6.951 1.00 0.00 C ATOM 54 O SER A 4 51.056 98.109 6.922 1.00 0.00 O ATOM 55 CB SER A 4 48.351 99.365 6.093 1.00 0.00 C ATOM 56 OG SER A 4 47.959 98.591 4.967 1.00 0.00 O ATOM 0 H SER A 4 49.870 99.549 8.621 1.00 0.00 H new ATOM 0 HA SER A 4 47.864 97.774 7.460 1.00 0.00 H new ATOM 0 HB2 SER A 4 47.546 100.045 6.372 1.00 0.00 H new ATOM 0 HB3 SER A 4 49.214 99.980 5.837 1.00 0.00 H new ATOM 0 HG SER A 4 47.741 99.187 4.220 1.00 0.00 H new ATOM 62 N HIS A 5 49.728 96.300 6.711 1.00 0.00 N ATOM 63 CA HIS A 5 50.761 95.332 6.306 1.00 0.00 C ATOM 64 C HIS A 5 50.136 94.157 5.534 1.00 0.00 C ATOM 65 O HIS A 5 49.116 93.607 5.963 1.00 0.00 O ATOM 66 CB HIS A 5 51.505 94.809 7.546 1.00 0.00 C ATOM 67 CG HIS A 5 52.561 93.780 7.215 1.00 0.00 C ATOM 68 ND1 HIS A 5 52.400 92.392 7.298 1.00 0.00 N ATOM 69 CD2 HIS A 5 53.813 94.051 6.744 1.00 0.00 C ATOM 70 CE1 HIS A 5 53.563 91.861 6.884 1.00 0.00 C ATOM 71 NE2 HIS A 5 54.428 92.833 6.543 1.00 0.00 N ATOM 0 H HIS A 5 48.805 95.874 6.796 1.00 0.00 H new ATOM 0 HA HIS A 5 51.468 95.838 5.649 1.00 0.00 H new ATOM 0 HB2 HIS A 5 51.973 95.648 8.062 1.00 0.00 H new ATOM 0 HB3 HIS A 5 50.784 94.372 8.237 1.00 0.00 H new ATOM 0 HD2 HIS A 5 54.238 95.027 6.564 1.00 0.00 H new ATOM 0 HE1 HIS A 5 53.773 90.803 6.832 1.00 0.00 H new ATOM 0 HE2 HIS A 5 55.377 92.693 6.195 1.00 0.00 H new ATOM 79 N HIS A 6 50.745 93.772 4.404 1.00 0.00 N ATOM 80 CA HIS A 6 50.241 92.722 3.501 1.00 0.00 C ATOM 81 C HIS A 6 51.397 91.896 2.911 1.00 0.00 C ATOM 82 O HIS A 6 52.134 92.380 2.046 1.00 0.00 O ATOM 83 CB HIS A 6 49.401 93.363 2.378 1.00 0.00 C ATOM 84 CG HIS A 6 48.216 94.168 2.864 1.00 0.00 C ATOM 85 ND1 HIS A 6 46.932 93.669 3.116 1.00 0.00 N ATOM 86 CD2 HIS A 6 48.236 95.501 3.158 1.00 0.00 C ATOM 87 CE1 HIS A 6 46.216 94.715 3.571 1.00 0.00 C ATOM 88 NE2 HIS A 6 46.976 95.824 3.609 1.00 0.00 N ATOM 0 H HIS A 6 51.619 94.189 4.084 1.00 0.00 H new ATOM 0 HA HIS A 6 49.611 92.043 4.075 1.00 0.00 H new ATOM 0 HB2 HIS A 6 50.045 94.011 1.784 1.00 0.00 H new ATOM 0 HB3 HIS A 6 49.042 92.576 1.715 1.00 0.00 H new ATOM 0 HD2 HIS A 6 49.077 96.172 3.057 1.00 0.00 H new ATOM 0 HE1 HIS A 6 45.178 94.670 3.864 1.00 0.00 H new ATOM 0 HE2 HIS A 6 46.671 96.747 3.919 1.00 0.00 H new ATOM 96 N HIS A 7 51.554 90.647 3.363 1.00 0.00 N ATOM 97 CA HIS A 7 52.510 89.669 2.813 1.00 0.00 C ATOM 98 C HIS A 7 52.080 88.216 3.087 1.00 0.00 C ATOM 99 O HIS A 7 51.535 87.915 4.152 1.00 0.00 O ATOM 100 CB HIS A 7 53.913 89.913 3.399 1.00 0.00 C ATOM 101 CG HIS A 7 54.935 88.934 2.870 1.00 0.00 C ATOM 102 ND1 HIS A 7 55.398 88.881 1.550 1.00 0.00 N ATOM 103 CD2 HIS A 7 55.431 87.861 3.555 1.00 0.00 C ATOM 104 CE1 HIS A 7 56.169 87.781 1.475 1.00 0.00 C ATOM 105 NE2 HIS A 7 56.202 87.152 2.662 1.00 0.00 N ATOM 0 H HIS A 7 51.008 90.275 4.140 1.00 0.00 H new ATOM 0 HA HIS A 7 52.529 89.810 1.732 1.00 0.00 H new ATOM 0 HB2 HIS A 7 54.231 90.929 3.164 1.00 0.00 H new ATOM 0 HB3 HIS A 7 53.869 89.837 4.485 1.00 0.00 H new ATOM 0 HD2 HIS A 7 55.253 87.617 4.592 1.00 0.00 H new ATOM 0 HE1 HIS A 7 56.688 87.451 0.587 1.00 0.00 H new ATOM 0 HE2 HIS A 7 56.713 86.293 2.867 1.00 0.00 H new ATOM 113 N HIS A 8 52.379 87.309 2.149 1.00 0.00 N ATOM 114 CA HIS A 8 52.314 85.850 2.330 1.00 0.00 C ATOM 115 C HIS A 8 53.275 85.118 1.374 1.00 0.00 C ATOM 116 O HIS A 8 53.419 85.510 0.212 1.00 0.00 O ATOM 117 CB HIS A 8 50.876 85.354 2.106 1.00 0.00 C ATOM 118 CG HIS A 8 50.735 83.858 2.278 1.00 0.00 C ATOM 119 ND1 HIS A 8 51.017 83.147 3.450 1.00 0.00 N ATOM 120 CD2 HIS A 8 50.379 82.975 1.300 1.00 0.00 C ATOM 121 CE1 HIS A 8 50.817 81.851 3.149 1.00 0.00 C ATOM 122 NE2 HIS A 8 50.432 81.720 1.867 1.00 0.00 N ATOM 0 H HIS A 8 52.683 87.577 1.213 1.00 0.00 H new ATOM 0 HA HIS A 8 52.621 85.627 3.352 1.00 0.00 H new ATOM 0 HB2 HIS A 8 50.210 85.859 2.805 1.00 0.00 H new ATOM 0 HB3 HIS A 8 50.554 85.631 1.102 1.00 0.00 H new ATOM 0 HD2 HIS A 8 50.109 83.213 0.282 1.00 0.00 H new ATOM 0 HE1 HIS A 8 50.947 81.031 3.840 1.00 0.00 H new ATOM 0 HE2 HIS A 8 50.216 80.842 1.395 1.00 0.00 H new ATOM 130 N HIS A 9 53.885 84.023 1.841 1.00 0.00 N ATOM 131 CA HIS A 9 54.609 83.040 1.018 1.00 0.00 C ATOM 132 C HIS A 9 54.544 81.632 1.641 1.00 0.00 C ATOM 133 O HIS A 9 54.431 81.487 2.861 1.00 0.00 O ATOM 134 CB HIS A 9 56.069 83.481 0.793 1.00 0.00 C ATOM 135 CG HIS A 9 56.971 83.361 2.001 1.00 0.00 C ATOM 136 ND1 HIS A 9 57.130 84.320 3.008 1.00 0.00 N ATOM 137 CD2 HIS A 9 57.789 82.302 2.273 1.00 0.00 C ATOM 138 CE1 HIS A 9 58.030 83.811 3.867 1.00 0.00 C ATOM 139 NE2 HIS A 9 58.443 82.601 3.450 1.00 0.00 N ATOM 0 H HIS A 9 53.890 83.786 2.833 1.00 0.00 H new ATOM 0 HA HIS A 9 54.118 82.992 0.046 1.00 0.00 H new ATOM 0 HB2 HIS A 9 56.491 82.885 -0.016 1.00 0.00 H new ATOM 0 HB3 HIS A 9 56.071 84.519 0.460 1.00 0.00 H new ATOM 0 HD2 HIS A 9 57.902 81.405 1.682 1.00 0.00 H new ATOM 0 HE1 HIS A 9 58.373 84.304 4.765 1.00 0.00 H new ATOM 0 HE2 HIS A 9 59.123 82.006 3.923 1.00 0.00 H new ATOM 147 N HIS A 10 54.629 80.588 0.805 1.00 0.00 N ATOM 148 CA HIS A 10 54.638 79.180 1.236 1.00 0.00 C ATOM 149 C HIS A 10 55.350 78.261 0.224 1.00 0.00 C ATOM 150 O HIS A 10 55.218 78.445 -0.990 1.00 0.00 O ATOM 151 CB HIS A 10 53.191 78.707 1.459 1.00 0.00 C ATOM 152 CG HIS A 10 53.097 77.312 2.028 1.00 0.00 C ATOM 153 ND1 HIS A 10 52.798 76.153 1.302 1.00 0.00 N ATOM 154 CD2 HIS A 10 53.328 76.971 3.329 1.00 0.00 C ATOM 155 CE1 HIS A 10 52.852 75.141 2.187 1.00 0.00 C ATOM 156 NE2 HIS A 10 53.168 75.604 3.409 1.00 0.00 N ATOM 0 H HIS A 10 54.695 80.698 -0.207 1.00 0.00 H new ATOM 0 HA HIS A 10 55.200 79.119 2.168 1.00 0.00 H new ATOM 0 HB2 HIS A 10 52.690 79.401 2.134 1.00 0.00 H new ATOM 0 HB3 HIS A 10 52.655 78.741 0.510 1.00 0.00 H new ATOM 0 HD2 HIS A 10 53.585 77.640 4.137 1.00 0.00 H new ATOM 0 HE1 HIS A 10 52.668 74.104 1.949 1.00 0.00 H new ATOM 0 HE2 HIS A 10 53.272 75.040 4.252 1.00 0.00 H new ATOM 164 N GLY A 11 56.067 77.249 0.730 1.00 0.00 N ATOM 165 CA GLY A 11 56.712 76.189 -0.061 1.00 0.00 C ATOM 166 C GLY A 11 58.029 76.583 -0.752 1.00 0.00 C ATOM 167 O GLY A 11 58.299 77.757 -1.023 1.00 0.00 O ATOM 0 H GLY A 11 56.220 77.141 1.733 1.00 0.00 H new ATOM 0 HA2 GLY A 11 56.906 75.339 0.593 1.00 0.00 H new ATOM 0 HA3 GLY A 11 56.010 75.851 -0.823 1.00 0.00 H new ATOM 171 N SER A 28 58.862 75.575 -1.035 1.00 0.00 N ATOM 172 CA SER A 28 60.119 75.679 -1.798 1.00 0.00 C ATOM 173 C SER A 28 60.533 74.308 -2.363 1.00 0.00 C ATOM 174 O SER A 28 60.247 73.272 -1.754 1.00 0.00 O ATOM 175 CB SER A 28 61.237 76.220 -0.896 1.00 0.00 C ATOM 176 OG SER A 28 62.403 76.496 -1.660 1.00 0.00 O ATOM 0 H SER A 28 58.673 74.621 -0.727 1.00 0.00 H new ATOM 0 HA SER A 28 59.956 76.365 -2.630 1.00 0.00 H new ATOM 0 HB2 SER A 28 60.901 77.127 -0.394 1.00 0.00 H new ATOM 0 HB3 SER A 28 61.469 75.493 -0.118 1.00 0.00 H new ATOM 0 HG SER A 28 63.106 76.842 -1.071 1.00 0.00 H new ATOM 182 N VAL A 29 61.205 74.286 -3.522 1.00 0.00 N ATOM 183 CA VAL A 29 61.736 73.065 -4.162 1.00 0.00 C ATOM 184 C VAL A 29 62.977 73.362 -5.023 1.00 0.00 C ATOM 185 O VAL A 29 63.030 74.377 -5.723 1.00 0.00 O ATOM 186 CB VAL A 29 60.630 72.339 -4.966 1.00 0.00 C ATOM 187 CG1 VAL A 29 60.083 73.141 -6.156 1.00 0.00 C ATOM 188 CG2 VAL A 29 61.088 70.965 -5.471 1.00 0.00 C ATOM 0 H VAL A 29 61.401 75.133 -4.056 1.00 0.00 H new ATOM 0 HA VAL A 29 62.064 72.390 -3.371 1.00 0.00 H new ATOM 0 HB VAL A 29 59.821 72.221 -4.245 1.00 0.00 H new ATOM 0 HG11 VAL A 29 59.313 72.560 -6.664 1.00 0.00 H new ATOM 0 HG12 VAL A 29 59.654 74.077 -5.798 1.00 0.00 H new ATOM 0 HG13 VAL A 29 60.893 73.357 -6.853 1.00 0.00 H new ATOM 0 HG21 VAL A 29 60.279 70.494 -6.029 1.00 0.00 H new ATOM 0 HG22 VAL A 29 61.954 71.087 -6.121 1.00 0.00 H new ATOM 0 HG23 VAL A 29 61.357 70.336 -4.622 1.00 0.00 H new ATOM 198 N SER A 30 63.959 72.452 -4.986 1.00 0.00 N ATOM 199 CA SER A 30 65.195 72.483 -5.792 1.00 0.00 C ATOM 200 C SER A 30 65.588 71.069 -6.243 1.00 0.00 C ATOM 201 O SER A 30 65.466 70.113 -5.470 1.00 0.00 O ATOM 202 CB SER A 30 66.361 73.089 -4.994 1.00 0.00 C ATOM 203 OG SER A 30 66.113 74.445 -4.646 1.00 0.00 O ATOM 0 H SER A 30 63.916 71.640 -4.370 1.00 0.00 H new ATOM 0 HA SER A 30 64.995 73.103 -6.666 1.00 0.00 H new ATOM 0 HB2 SER A 30 66.524 72.505 -4.088 1.00 0.00 H new ATOM 0 HB3 SER A 30 67.276 73.026 -5.583 1.00 0.00 H new ATOM 0 HG SER A 30 66.874 74.797 -4.138 1.00 0.00 H new ATOM 209 N PHE A 31 66.066 70.928 -7.484 1.00 0.00 N ATOM 210 CA PHE A 31 66.480 69.647 -8.082 1.00 0.00 C ATOM 211 C PHE A 31 67.545 69.820 -9.187 1.00 0.00 C ATOM 212 O PHE A 31 67.732 70.915 -9.727 1.00 0.00 O ATOM 213 CB PHE A 31 65.240 68.905 -8.621 1.00 0.00 C ATOM 214 CG PHE A 31 64.481 69.620 -9.728 1.00 0.00 C ATOM 215 CD1 PHE A 31 63.434 70.507 -9.410 1.00 0.00 C ATOM 216 CD2 PHE A 31 64.813 69.391 -11.079 1.00 0.00 C ATOM 217 CE1 PHE A 31 62.729 71.168 -10.433 1.00 0.00 C ATOM 218 CE2 PHE A 31 64.108 70.051 -12.101 1.00 0.00 C ATOM 219 CZ PHE A 31 63.067 70.940 -11.779 1.00 0.00 C ATOM 0 H PHE A 31 66.180 71.718 -8.119 1.00 0.00 H new ATOM 0 HA PHE A 31 66.950 69.052 -7.299 1.00 0.00 H new ATOM 0 HB2 PHE A 31 65.554 67.929 -8.991 1.00 0.00 H new ATOM 0 HB3 PHE A 31 64.556 68.726 -7.792 1.00 0.00 H new ATOM 0 HD1 PHE A 31 63.171 70.681 -8.377 1.00 0.00 H new ATOM 0 HD2 PHE A 31 65.611 68.707 -11.329 1.00 0.00 H new ATOM 0 HE1 PHE A 31 61.929 71.850 -10.185 1.00 0.00 H new ATOM 0 HE2 PHE A 31 64.366 69.875 -13.135 1.00 0.00 H new ATOM 0 HZ PHE A 31 62.527 71.447 -12.565 1.00 0.00 H new ATOM 229 N GLY A 32 68.218 68.717 -9.539 1.00 0.00 N ATOM 230 CA GLY A 32 69.242 68.641 -10.591 1.00 0.00 C ATOM 231 C GLY A 32 70.656 69.019 -10.121 1.00 0.00 C ATOM 232 O GLY A 32 70.852 70.023 -9.430 1.00 0.00 O ATOM 0 H GLY A 32 68.059 67.819 -9.082 1.00 0.00 H new ATOM 0 HA2 GLY A 32 69.263 67.627 -10.990 1.00 0.00 H new ATOM 0 HA3 GLY A 32 68.955 69.300 -11.410 1.00 0.00 H new ATOM 236 N ALA A 33 71.645 68.205 -10.506 1.00 0.00 N ATOM 237 CA ALA A 33 73.071 68.393 -10.202 1.00 0.00 C ATOM 238 C ALA A 33 73.968 67.779 -11.312 1.00 0.00 C ATOM 239 O ALA A 33 74.651 66.775 -11.072 1.00 0.00 O ATOM 240 CB ALA A 33 73.345 67.804 -8.807 1.00 0.00 C ATOM 0 H ALA A 33 71.470 67.366 -11.058 1.00 0.00 H new ATOM 0 HA ALA A 33 73.322 69.454 -10.185 1.00 0.00 H new ATOM 0 HB1 ALA A 33 74.399 67.932 -8.559 1.00 0.00 H new ATOM 0 HB2 ALA A 33 72.733 68.320 -8.067 1.00 0.00 H new ATOM 0 HB3 ALA A 33 73.098 66.742 -8.805 1.00 0.00 H new ATOM 246 N PRO A 34 73.941 68.322 -12.548 1.00 0.00 N ATOM 247 CA PRO A 34 74.654 67.755 -13.697 1.00 0.00 C ATOM 248 C PRO A 34 76.186 67.861 -13.569 1.00 0.00 C ATOM 249 O PRO A 34 76.721 68.857 -13.072 1.00 0.00 O ATOM 250 CB PRO A 34 74.129 68.519 -14.918 1.00 0.00 C ATOM 251 CG PRO A 34 73.738 69.879 -14.341 1.00 0.00 C ATOM 252 CD PRO A 34 73.212 69.519 -12.952 1.00 0.00 C ATOM 0 HA PRO A 34 74.468 66.684 -13.776 1.00 0.00 H new ATOM 0 HB2 PRO A 34 74.891 68.614 -15.691 1.00 0.00 H new ATOM 0 HB3 PRO A 34 73.276 68.014 -15.372 1.00 0.00 H new ATOM 0 HG2 PRO A 34 74.591 70.556 -14.288 1.00 0.00 H new ATOM 0 HG3 PRO A 34 72.977 70.372 -14.946 1.00 0.00 H new ATOM 0 HD2 PRO A 34 73.378 70.334 -12.248 1.00 0.00 H new ATOM 0 HD3 PRO A 34 72.138 69.333 -12.977 1.00 0.00 H new ATOM 260 N SER A 35 76.891 66.837 -14.060 1.00 0.00 N ATOM 261 CA SER A 35 78.366 66.748 -14.069 1.00 0.00 C ATOM 262 C SER A 35 78.939 65.947 -15.270 1.00 0.00 C ATOM 263 O SER A 35 79.788 65.067 -15.078 1.00 0.00 O ATOM 264 CB SER A 35 78.849 66.206 -12.709 1.00 0.00 C ATOM 265 OG SER A 35 78.252 64.952 -12.388 1.00 0.00 O ATOM 0 H SER A 35 76.444 66.020 -14.476 1.00 0.00 H new ATOM 0 HA SER A 35 78.760 67.754 -14.212 1.00 0.00 H new ATOM 0 HB2 SER A 35 79.933 66.096 -12.728 1.00 0.00 H new ATOM 0 HB3 SER A 35 78.615 66.929 -11.928 1.00 0.00 H new ATOM 0 HG SER A 35 78.586 64.643 -11.520 1.00 0.00 H new ATOM 271 N PRO A 36 78.494 66.203 -16.523 1.00 0.00 N ATOM 272 CA PRO A 36 78.930 65.442 -17.700 1.00 0.00 C ATOM 273 C PRO A 36 80.434 65.606 -17.995 1.00 0.00 C ATOM 274 O PRO A 36 80.990 66.705 -17.901 1.00 0.00 O ATOM 275 CB PRO A 36 78.068 65.953 -18.860 1.00 0.00 C ATOM 276 CG PRO A 36 77.757 67.394 -18.455 1.00 0.00 C ATOM 277 CD PRO A 36 77.608 67.286 -16.939 1.00 0.00 C ATOM 0 HA PRO A 36 78.800 64.372 -17.537 1.00 0.00 H new ATOM 0 HB2 PRO A 36 78.602 65.908 -19.809 1.00 0.00 H new ATOM 0 HB3 PRO A 36 77.159 65.362 -18.977 1.00 0.00 H new ATOM 0 HG2 PRO A 36 78.559 68.077 -18.736 1.00 0.00 H new ATOM 0 HG3 PRO A 36 76.846 67.761 -18.927 1.00 0.00 H new ATOM 0 HD2 PRO A 36 77.881 68.222 -16.453 1.00 0.00 H new ATOM 0 HD3 PRO A 36 76.575 67.073 -16.663 1.00 0.00 H new ATOM 285 N LEU A 37 81.088 64.504 -18.383 1.00 0.00 N ATOM 286 CA LEU A 37 82.518 64.443 -18.724 1.00 0.00 C ATOM 287 C LEU A 37 82.771 63.308 -19.737 1.00 0.00 C ATOM 288 O LEU A 37 82.524 62.137 -19.439 1.00 0.00 O ATOM 289 CB LEU A 37 83.318 64.256 -17.412 1.00 0.00 C ATOM 290 CG LEU A 37 84.822 64.597 -17.473 1.00 0.00 C ATOM 291 CD1 LEU A 37 85.403 64.537 -16.058 1.00 0.00 C ATOM 292 CD2 LEU A 37 85.650 63.651 -18.347 1.00 0.00 C ATOM 0 H LEU A 37 80.623 63.600 -18.472 1.00 0.00 H new ATOM 0 HA LEU A 37 82.847 65.366 -19.202 1.00 0.00 H new ATOM 0 HB2 LEU A 37 82.858 64.873 -16.640 1.00 0.00 H new ATOM 0 HB3 LEU A 37 83.215 63.219 -17.094 1.00 0.00 H new ATOM 0 HG LEU A 37 84.883 65.590 -17.918 1.00 0.00 H new ATOM 0 HD11 LEU A 37 86.466 64.777 -16.091 1.00 0.00 H new ATOM 0 HD12 LEU A 37 84.888 65.257 -15.422 1.00 0.00 H new ATOM 0 HD13 LEU A 37 85.269 63.534 -15.652 1.00 0.00 H new ATOM 0 HD21 LEU A 37 86.694 63.963 -18.333 1.00 0.00 H new ATOM 0 HD22 LEU A 37 85.570 62.635 -17.960 1.00 0.00 H new ATOM 0 HD23 LEU A 37 85.276 63.680 -19.370 1.00 0.00 H new ATOM 304 N SER A 38 83.272 63.652 -20.929 1.00 0.00 N ATOM 305 CA SER A 38 83.751 62.694 -21.940 1.00 0.00 C ATOM 306 C SER A 38 84.842 63.306 -22.834 1.00 0.00 C ATOM 307 O SER A 38 84.817 64.505 -23.128 1.00 0.00 O ATOM 308 CB SER A 38 82.584 62.202 -22.807 1.00 0.00 C ATOM 309 OG SER A 38 83.022 61.157 -23.665 1.00 0.00 O ATOM 0 H SER A 38 83.359 64.624 -21.227 1.00 0.00 H new ATOM 0 HA SER A 38 84.187 61.850 -21.406 1.00 0.00 H new ATOM 0 HB2 SER A 38 81.773 61.846 -22.172 1.00 0.00 H new ATOM 0 HB3 SER A 38 82.187 63.027 -23.399 1.00 0.00 H new ATOM 0 HG SER A 38 82.271 60.848 -24.213 1.00 0.00 H new ATOM 315 N SER A 39 85.798 62.479 -23.267 1.00 0.00 N ATOM 316 CA SER A 39 86.946 62.864 -24.110 1.00 0.00 C ATOM 317 C SER A 39 87.372 61.775 -25.117 1.00 0.00 C ATOM 318 O SER A 39 88.448 61.861 -25.717 1.00 0.00 O ATOM 319 CB SER A 39 88.124 63.275 -23.211 1.00 0.00 C ATOM 320 OG SER A 39 88.518 62.207 -22.354 1.00 0.00 O ATOM 0 H SER A 39 85.799 61.486 -23.035 1.00 0.00 H new ATOM 0 HA SER A 39 86.627 63.710 -24.719 1.00 0.00 H new ATOM 0 HB2 SER A 39 88.968 63.578 -23.830 1.00 0.00 H new ATOM 0 HB3 SER A 39 87.842 64.140 -22.611 1.00 0.00 H new ATOM 0 HG SER A 39 89.270 62.496 -21.795 1.00 0.00 H new ATOM 326 N GLU A 40 86.544 60.741 -25.316 1.00 0.00 N ATOM 327 CA GLU A 40 86.874 59.529 -26.088 1.00 0.00 C ATOM 328 C GLU A 40 86.078 59.406 -27.402 1.00 0.00 C ATOM 329 O GLU A 40 84.995 59.979 -27.557 1.00 0.00 O ATOM 330 CB GLU A 40 86.675 58.279 -25.210 1.00 0.00 C ATOM 331 CG GLU A 40 87.618 58.251 -23.998 1.00 0.00 C ATOM 332 CD GLU A 40 87.469 56.934 -23.213 1.00 0.00 C ATOM 333 OE1 GLU A 40 86.612 56.858 -22.296 1.00 0.00 O ATOM 334 OE2 GLU A 40 88.214 55.964 -23.497 1.00 0.00 O ATOM 0 H GLU A 40 85.598 60.721 -24.935 1.00 0.00 H new ATOM 0 HA GLU A 40 87.921 59.612 -26.378 1.00 0.00 H new ATOM 0 HB2 GLU A 40 85.642 58.244 -24.863 1.00 0.00 H new ATOM 0 HB3 GLU A 40 86.839 57.386 -25.813 1.00 0.00 H new ATOM 0 HG2 GLU A 40 88.649 58.365 -24.332 1.00 0.00 H new ATOM 0 HG3 GLU A 40 87.400 59.095 -23.344 1.00 0.00 H new ATOM 341 N SER A 41 86.617 58.630 -28.351 1.00 0.00 N ATOM 342 CA SER A 41 86.004 58.319 -29.655 1.00 0.00 C ATOM 343 C SER A 41 86.369 56.898 -30.124 1.00 0.00 C ATOM 344 O SER A 41 87.265 56.264 -29.566 1.00 0.00 O ATOM 345 CB SER A 41 86.438 59.368 -30.688 1.00 0.00 C ATOM 346 OG SER A 41 85.625 59.284 -31.852 1.00 0.00 O ATOM 0 H SER A 41 87.526 58.183 -28.230 1.00 0.00 H new ATOM 0 HA SER A 41 84.920 58.352 -29.547 1.00 0.00 H new ATOM 0 HB2 SER A 41 86.363 60.366 -30.256 1.00 0.00 H new ATOM 0 HB3 SER A 41 87.483 59.214 -30.955 1.00 0.00 H new ATOM 0 HG SER A 41 85.912 59.960 -32.501 1.00 0.00 H new ATOM 352 N GLU A 42 85.655 56.386 -31.133 1.00 0.00 N ATOM 353 CA GLU A 42 85.799 55.051 -31.760 1.00 0.00 C ATOM 354 C GLU A 42 85.576 53.820 -30.850 1.00 0.00 C ATOM 355 O GLU A 42 85.456 52.703 -31.355 1.00 0.00 O ATOM 356 CB GLU A 42 87.117 54.948 -32.553 1.00 0.00 C ATOM 357 CG GLU A 42 87.246 56.014 -33.650 1.00 0.00 C ATOM 358 CD GLU A 42 88.529 55.798 -34.474 1.00 0.00 C ATOM 359 OE1 GLU A 42 89.600 56.333 -34.097 1.00 0.00 O ATOM 360 OE2 GLU A 42 88.479 55.094 -35.514 1.00 0.00 O ATOM 0 H GLU A 42 84.907 56.925 -31.569 1.00 0.00 H new ATOM 0 HA GLU A 42 84.953 54.998 -32.445 1.00 0.00 H new ATOM 0 HB2 GLU A 42 87.957 55.041 -31.864 1.00 0.00 H new ATOM 0 HB3 GLU A 42 87.185 53.959 -33.006 1.00 0.00 H new ATOM 0 HG2 GLU A 42 86.376 55.975 -34.306 1.00 0.00 H new ATOM 0 HG3 GLU A 42 87.261 57.006 -33.199 1.00 0.00 H new ATOM 367 N ASP A 43 85.429 53.997 -29.534 1.00 0.00 N ATOM 368 CA ASP A 43 85.259 52.914 -28.547 1.00 0.00 C ATOM 369 C ASP A 43 83.917 52.155 -28.662 1.00 0.00 C ATOM 370 O ASP A 43 83.759 51.054 -28.129 1.00 0.00 O ATOM 371 CB ASP A 43 85.476 53.521 -27.151 1.00 0.00 C ATOM 372 CG ASP A 43 85.535 52.466 -26.033 1.00 0.00 C ATOM 373 OD1 ASP A 43 86.428 51.580 -26.064 1.00 0.00 O ATOM 374 OD2 ASP A 43 84.700 52.525 -25.100 1.00 0.00 O ATOM 0 H ASP A 43 85.424 54.924 -29.108 1.00 0.00 H new ATOM 0 HA ASP A 43 86.001 52.140 -28.746 1.00 0.00 H new ATOM 0 HB2 ASP A 43 86.404 54.093 -27.151 1.00 0.00 H new ATOM 0 HB3 ASP A 43 84.669 54.222 -26.938 1.00 0.00 H new ATOM 379 N GLU A 44 82.964 52.713 -29.410 1.00 0.00 N ATOM 380 CA GLU A 44 81.666 52.101 -29.752 1.00 0.00 C ATOM 381 C GLU A 44 81.542 51.737 -31.253 1.00 0.00 C ATOM 382 O GLU A 44 80.503 51.244 -31.696 1.00 0.00 O ATOM 383 CB GLU A 44 80.544 53.046 -29.276 1.00 0.00 C ATOM 384 CG GLU A 44 79.224 52.334 -28.949 1.00 0.00 C ATOM 385 CD GLU A 44 78.129 53.360 -28.594 1.00 0.00 C ATOM 386 OE1 GLU A 44 78.004 53.741 -27.405 1.00 0.00 O ATOM 387 OE2 GLU A 44 77.378 53.793 -29.504 1.00 0.00 O ATOM 0 H GLU A 44 83.074 53.643 -29.814 1.00 0.00 H new ATOM 0 HA GLU A 44 81.579 51.145 -29.236 1.00 0.00 H new ATOM 0 HB2 GLU A 44 80.885 53.581 -28.390 1.00 0.00 H new ATOM 0 HB3 GLU A 44 80.360 53.793 -30.048 1.00 0.00 H new ATOM 0 HG2 GLU A 44 78.906 51.735 -29.802 1.00 0.00 H new ATOM 0 HG3 GLU A 44 79.371 51.648 -28.115 1.00 0.00 H new ATOM 394 N ILE A 45 82.590 51.977 -32.055 1.00 0.00 N ATOM 395 CA ILE A 45 82.553 51.891 -33.527 1.00 0.00 C ATOM 396 C ILE A 45 83.290 50.631 -34.013 1.00 0.00 C ATOM 397 O ILE A 45 84.491 50.652 -34.297 1.00 0.00 O ATOM 398 CB ILE A 45 83.060 53.204 -34.185 1.00 0.00 C ATOM 399 CG1 ILE A 45 82.329 54.440 -33.598 1.00 0.00 C ATOM 400 CG2 ILE A 45 82.849 53.134 -35.712 1.00 0.00 C ATOM 401 CD1 ILE A 45 82.716 55.785 -34.229 1.00 0.00 C ATOM 0 H ILE A 45 83.506 52.242 -31.694 1.00 0.00 H new ATOM 0 HA ILE A 45 81.517 51.786 -33.850 1.00 0.00 H new ATOM 0 HB ILE A 45 84.124 53.311 -33.971 1.00 0.00 H new ATOM 0 HG12 ILE A 45 81.255 54.297 -33.715 1.00 0.00 H new ATOM 0 HG13 ILE A 45 82.530 54.487 -32.528 1.00 0.00 H new ATOM 0 HG21 ILE A 45 83.205 54.056 -36.171 1.00 0.00 H new ATOM 0 HG22 ILE A 45 83.404 52.288 -36.118 1.00 0.00 H new ATOM 0 HG23 ILE A 45 81.788 53.008 -35.927 1.00 0.00 H new ATOM 0 HD11 ILE A 45 82.152 56.586 -33.752 1.00 0.00 H new ATOM 0 HD12 ILE A 45 83.783 55.959 -34.089 1.00 0.00 H new ATOM 0 HD13 ILE A 45 82.488 55.766 -35.295 1.00 0.00 H new ATOM 413 N ASN A 46 82.548 49.524 -34.118 1.00 0.00 N ATOM 414 CA ASN A 46 82.980 48.273 -34.755 1.00 0.00 C ATOM 415 C ASN A 46 81.774 47.541 -35.383 1.00 0.00 C ATOM 416 O ASN A 46 80.643 47.671 -34.905 1.00 0.00 O ATOM 417 CB ASN A 46 83.705 47.393 -33.714 1.00 0.00 C ATOM 418 CG ASN A 46 84.654 46.385 -34.350 1.00 0.00 C ATOM 419 OD1 ASN A 46 85.840 46.638 -34.509 1.00 0.00 O ATOM 420 ND2 ASN A 46 84.188 45.226 -34.758 1.00 0.00 N ATOM 0 H ASN A 46 81.598 49.471 -33.750 1.00 0.00 H new ATOM 0 HA ASN A 46 83.677 48.494 -35.563 1.00 0.00 H new ATOM 0 HB2 ASN A 46 84.266 48.032 -33.032 1.00 0.00 H new ATOM 0 HB3 ASN A 46 82.965 46.861 -33.116 1.00 0.00 H new ATOM 0 HD21 ASN A 46 84.813 44.552 -35.200 1.00 0.00 H new ATOM 0 HD22 ASN A 46 83.201 45.000 -34.632 1.00 0.00 H new ATOM 427 N TYR A 47 82.011 46.741 -36.427 1.00 0.00 N ATOM 428 CA TYR A 47 81.004 45.840 -37.004 1.00 0.00 C ATOM 429 C TYR A 47 80.707 44.634 -36.086 1.00 0.00 C ATOM 430 O TYR A 47 81.496 44.305 -35.194 1.00 0.00 O ATOM 431 CB TYR A 47 81.453 45.398 -38.409 1.00 0.00 C ATOM 432 CG TYR A 47 82.759 44.619 -38.454 1.00 0.00 C ATOM 433 CD1 TYR A 47 82.763 43.226 -38.233 1.00 0.00 C ATOM 434 CD2 TYR A 47 83.973 45.288 -38.719 1.00 0.00 C ATOM 435 CE1 TYR A 47 83.974 42.509 -38.257 1.00 0.00 C ATOM 436 CE2 TYR A 47 85.186 44.573 -38.744 1.00 0.00 C ATOM 437 CZ TYR A 47 85.190 43.180 -38.510 1.00 0.00 C ATOM 438 OH TYR A 47 86.357 42.475 -38.532 1.00 0.00 O ATOM 0 H TYR A 47 82.914 46.699 -36.900 1.00 0.00 H new ATOM 0 HA TYR A 47 80.064 46.385 -37.093 1.00 0.00 H new ATOM 0 HB2 TYR A 47 80.667 44.784 -38.848 1.00 0.00 H new ATOM 0 HB3 TYR A 47 81.554 46.284 -39.036 1.00 0.00 H new ATOM 0 HD1 TYR A 47 81.834 42.708 -38.045 1.00 0.00 H new ATOM 0 HD2 TYR A 47 83.972 46.352 -38.903 1.00 0.00 H new ATOM 0 HE1 TYR A 47 83.973 41.443 -38.082 1.00 0.00 H new ATOM 0 HE2 TYR A 47 86.113 45.090 -38.942 1.00 0.00 H new ATOM 0 HH TYR A 47 87.103 43.082 -38.720 1.00 0.00 H new ATOM 448 N MET A 48 79.578 43.959 -36.322 1.00 0.00 N ATOM 449 CA MET A 48 79.198 42.695 -35.672 1.00 0.00 C ATOM 450 C MET A 48 78.330 41.841 -36.616 1.00 0.00 C ATOM 451 O MET A 48 77.526 42.375 -37.386 1.00 0.00 O ATOM 452 CB MET A 48 78.468 42.998 -34.349 1.00 0.00 C ATOM 453 CG MET A 48 78.259 41.747 -33.486 1.00 0.00 C ATOM 454 SD MET A 48 77.507 42.073 -31.867 1.00 0.00 S ATOM 455 CE MET A 48 77.439 40.376 -31.226 1.00 0.00 C ATOM 0 H MET A 48 78.880 44.285 -36.991 1.00 0.00 H new ATOM 0 HA MET A 48 80.095 42.118 -35.446 1.00 0.00 H new ATOM 0 HB2 MET A 48 79.041 43.733 -33.783 1.00 0.00 H new ATOM 0 HB3 MET A 48 77.500 43.449 -34.568 1.00 0.00 H new ATOM 0 HG2 MET A 48 77.628 41.045 -34.032 1.00 0.00 H new ATOM 0 HG3 MET A 48 79.222 41.259 -33.335 1.00 0.00 H new ATOM 0 HE1 MET A 48 77.000 40.381 -30.228 1.00 0.00 H new ATOM 0 HE2 MET A 48 76.829 39.761 -31.888 1.00 0.00 H new ATOM 0 HE3 MET A 48 78.447 39.965 -31.177 1.00 0.00 H new ATOM 465 N THR A 49 78.480 40.515 -36.562 1.00 0.00 N ATOM 466 CA THR A 49 77.677 39.555 -37.347 1.00 0.00 C ATOM 467 C THR A 49 76.222 39.454 -36.845 1.00 0.00 C ATOM 468 O THR A 49 75.962 39.684 -35.657 1.00 0.00 O ATOM 469 CB THR A 49 78.330 38.159 -37.347 1.00 0.00 C ATOM 470 OG1 THR A 49 78.722 37.784 -36.039 1.00 0.00 O ATOM 471 CG2 THR A 49 79.578 38.134 -38.232 1.00 0.00 C ATOM 0 H THR A 49 79.172 40.064 -35.964 1.00 0.00 H new ATOM 0 HA THR A 49 77.648 39.938 -38.367 1.00 0.00 H new ATOM 0 HB THR A 49 77.585 37.463 -37.732 1.00 0.00 H new ATOM 0 HG1 THR A 49 79.132 36.894 -36.063 1.00 0.00 H new ATOM 0 HG21 THR A 49 80.018 37.137 -38.213 1.00 0.00 H new ATOM 0 HG22 THR A 49 79.304 38.390 -39.255 1.00 0.00 H new ATOM 0 HG23 THR A 49 80.303 38.857 -37.859 1.00 0.00 H new ATOM 479 N PRO A 50 75.250 39.114 -37.719 1.00 0.00 N ATOM 480 CA PRO A 50 73.848 38.953 -37.327 1.00 0.00 C ATOM 481 C PRO A 50 73.629 37.730 -36.407 1.00 0.00 C ATOM 482 O PRO A 50 74.401 36.763 -36.470 1.00 0.00 O ATOM 483 CB PRO A 50 73.068 38.828 -38.640 1.00 0.00 C ATOM 484 CG PRO A 50 74.090 38.216 -39.598 1.00 0.00 C ATOM 485 CD PRO A 50 75.402 38.858 -39.147 1.00 0.00 C ATOM 0 HA PRO A 50 73.506 39.803 -36.737 1.00 0.00 H new ATOM 0 HB2 PRO A 50 72.190 38.192 -38.528 1.00 0.00 H new ATOM 0 HB3 PRO A 50 72.716 39.797 -38.993 1.00 0.00 H new ATOM 0 HG2 PRO A 50 74.122 37.130 -39.516 1.00 0.00 H new ATOM 0 HG3 PRO A 50 73.861 38.450 -40.638 1.00 0.00 H new ATOM 0 HD2 PRO A 50 76.247 38.196 -39.338 1.00 0.00 H new ATOM 0 HD3 PRO A 50 75.592 39.783 -39.692 1.00 0.00 H new ATOM 493 N PRO A 51 72.579 37.741 -35.560 1.00 0.00 N ATOM 494 CA PRO A 51 72.261 36.635 -34.656 1.00 0.00 C ATOM 495 C PRO A 51 71.734 35.392 -35.398 1.00 0.00 C ATOM 496 O PRO A 51 71.180 35.477 -36.497 1.00 0.00 O ATOM 497 CB PRO A 51 71.222 37.199 -33.681 1.00 0.00 C ATOM 498 CG PRO A 51 70.495 38.249 -34.519 1.00 0.00 C ATOM 499 CD PRO A 51 71.613 38.818 -35.393 1.00 0.00 C ATOM 0 HA PRO A 51 73.154 36.282 -34.141 1.00 0.00 H new ATOM 0 HB2 PRO A 51 70.542 36.425 -33.325 1.00 0.00 H new ATOM 0 HB3 PRO A 51 71.692 37.640 -32.802 1.00 0.00 H new ATOM 0 HG2 PRO A 51 69.698 37.808 -35.118 1.00 0.00 H new ATOM 0 HG3 PRO A 51 70.037 39.018 -33.896 1.00 0.00 H new ATOM 0 HD2 PRO A 51 71.225 39.147 -36.357 1.00 0.00 H new ATOM 0 HD3 PRO A 51 72.074 39.686 -34.921 1.00 0.00 H new ATOM 507 N GLU A 52 71.869 34.227 -34.759 1.00 0.00 N ATOM 508 CA GLU A 52 71.372 32.927 -35.234 1.00 0.00 C ATOM 509 C GLU A 52 70.647 32.157 -34.115 1.00 0.00 C ATOM 510 O GLU A 52 70.939 32.334 -32.928 1.00 0.00 O ATOM 511 CB GLU A 52 72.532 32.078 -35.791 1.00 0.00 C ATOM 512 CG GLU A 52 73.136 32.606 -37.103 1.00 0.00 C ATOM 513 CD GLU A 52 72.157 32.607 -38.300 1.00 0.00 C ATOM 514 OE1 GLU A 52 71.140 31.867 -38.291 1.00 0.00 O ATOM 515 OE2 GLU A 52 72.425 33.323 -39.297 1.00 0.00 O ATOM 0 H GLU A 52 72.346 34.158 -33.860 1.00 0.00 H new ATOM 0 HA GLU A 52 70.654 33.120 -36.031 1.00 0.00 H new ATOM 0 HB2 GLU A 52 73.319 32.024 -35.039 1.00 0.00 H new ATOM 0 HB3 GLU A 52 72.176 31.061 -35.953 1.00 0.00 H new ATOM 0 HG2 GLU A 52 73.494 33.623 -36.941 1.00 0.00 H new ATOM 0 HG3 GLU A 52 74.004 31.999 -37.360 1.00 0.00 H new ATOM 522 N GLN A 53 69.702 31.287 -34.491 1.00 0.00 N ATOM 523 CA GLN A 53 68.930 30.467 -33.548 1.00 0.00 C ATOM 524 C GLN A 53 69.759 29.286 -33.006 1.00 0.00 C ATOM 525 O GLN A 53 70.476 28.620 -33.757 1.00 0.00 O ATOM 526 CB GLN A 53 67.635 29.964 -34.213 1.00 0.00 C ATOM 527 CG GLN A 53 66.672 31.104 -34.588 1.00 0.00 C ATOM 528 CD GLN A 53 65.393 30.573 -35.236 1.00 0.00 C ATOM 529 OE1 GLN A 53 65.248 30.532 -36.451 1.00 0.00 O ATOM 530 NE2 GLN A 53 64.422 30.133 -34.461 1.00 0.00 N ATOM 0 H GLN A 53 69.449 31.131 -35.467 1.00 0.00 H new ATOM 0 HA GLN A 53 68.668 31.096 -32.698 1.00 0.00 H new ATOM 0 HB2 GLN A 53 67.889 29.400 -35.110 1.00 0.00 H new ATOM 0 HB3 GLN A 53 67.129 29.276 -33.536 1.00 0.00 H new ATOM 0 HG2 GLN A 53 66.418 31.674 -33.695 1.00 0.00 H new ATOM 0 HG3 GLN A 53 67.170 31.790 -35.273 1.00 0.00 H new ATOM 0 HE21 GLN A 53 64.527 30.160 -33.447 1.00 0.00 H new ATOM 0 HE22 GLN A 53 63.566 29.765 -34.875 1.00 0.00 H new ATOM 539 N GLU A 54 69.621 28.997 -31.706 1.00 0.00 N ATOM 540 CA GLU A 54 70.315 27.887 -31.018 1.00 0.00 C ATOM 541 C GLU A 54 69.387 26.990 -30.169 1.00 0.00 C ATOM 542 O GLU A 54 69.844 26.227 -29.316 1.00 0.00 O ATOM 543 CB GLU A 54 71.532 28.426 -30.248 1.00 0.00 C ATOM 544 CG GLU A 54 71.200 29.295 -29.024 1.00 0.00 C ATOM 545 CD GLU A 54 72.467 29.825 -28.313 1.00 0.00 C ATOM 546 OE1 GLU A 54 73.454 29.067 -28.153 1.00 0.00 O ATOM 547 OE2 GLU A 54 72.479 31.008 -27.890 1.00 0.00 O ATOM 0 H GLU A 54 69.014 29.534 -31.087 1.00 0.00 H new ATOM 0 HA GLU A 54 70.680 27.204 -31.785 1.00 0.00 H new ATOM 0 HB2 GLU A 54 72.138 27.581 -29.920 1.00 0.00 H new ATOM 0 HB3 GLU A 54 72.145 29.011 -30.933 1.00 0.00 H new ATOM 0 HG2 GLU A 54 70.584 30.138 -29.337 1.00 0.00 H new ATOM 0 HG3 GLU A 54 70.608 28.712 -28.318 1.00 0.00 H new ATOM 554 N ALA A 55 68.074 27.081 -30.422 1.00 0.00 N ATOM 555 CA ALA A 55 66.998 26.331 -29.753 1.00 0.00 C ATOM 556 C ALA A 55 67.045 26.433 -28.209 1.00 0.00 C ATOM 557 O ALA A 55 67.042 25.426 -27.493 1.00 0.00 O ATOM 558 CB ALA A 55 66.958 24.898 -30.312 1.00 0.00 C ATOM 0 H ALA A 55 67.713 27.713 -31.137 1.00 0.00 H new ATOM 0 HA ALA A 55 66.040 26.795 -29.987 1.00 0.00 H new ATOM 0 HB1 ALA A 55 66.163 24.338 -29.820 1.00 0.00 H new ATOM 0 HB2 ALA A 55 66.768 24.931 -31.385 1.00 0.00 H new ATOM 0 HB3 ALA A 55 67.914 24.409 -30.127 1.00 0.00 H new ATOM 564 N GLN A 56 67.120 27.671 -27.700 1.00 0.00 N ATOM 565 CA GLN A 56 67.350 27.986 -26.281 1.00 0.00 C ATOM 566 C GLN A 56 66.562 29.257 -25.873 1.00 0.00 C ATOM 567 O GLN A 56 67.150 30.330 -25.697 1.00 0.00 O ATOM 568 CB GLN A 56 68.873 28.088 -26.077 1.00 0.00 C ATOM 569 CG GLN A 56 69.296 28.090 -24.605 1.00 0.00 C ATOM 570 CD GLN A 56 70.817 28.005 -24.477 1.00 0.00 C ATOM 571 OE1 GLN A 56 71.513 28.997 -24.318 1.00 0.00 O ATOM 572 NE2 GLN A 56 71.394 26.822 -24.541 1.00 0.00 N ATOM 0 H GLN A 56 67.020 28.505 -28.279 1.00 0.00 H new ATOM 0 HA GLN A 56 66.973 27.205 -25.620 1.00 0.00 H new ATOM 0 HB2 GLN A 56 69.356 27.252 -26.584 1.00 0.00 H new ATOM 0 HB3 GLN A 56 69.234 29.000 -26.551 1.00 0.00 H new ATOM 0 HG2 GLN A 56 68.936 28.997 -24.120 1.00 0.00 H new ATOM 0 HG3 GLN A 56 68.835 27.248 -24.088 1.00 0.00 H new ATOM 0 HE21 GLN A 56 70.827 25.985 -24.673 1.00 0.00 H new ATOM 0 HE22 GLN A 56 72.408 26.744 -24.458 1.00 0.00 H new ATOM 581 N PRO A 57 65.218 29.171 -25.804 1.00 0.00 N ATOM 582 CA PRO A 57 64.332 30.331 -25.676 1.00 0.00 C ATOM 583 C PRO A 57 64.134 30.801 -24.218 1.00 0.00 C ATOM 584 O PRO A 57 64.581 30.157 -23.263 1.00 0.00 O ATOM 585 CB PRO A 57 63.033 29.856 -26.331 1.00 0.00 C ATOM 586 CG PRO A 57 62.959 28.394 -25.900 1.00 0.00 C ATOM 587 CD PRO A 57 64.421 27.961 -25.997 1.00 0.00 C ATOM 0 HA PRO A 57 64.746 31.219 -26.153 1.00 0.00 H new ATOM 0 HB2 PRO A 57 62.171 30.426 -25.983 1.00 0.00 H new ATOM 0 HB3 PRO A 57 63.065 29.958 -27.416 1.00 0.00 H new ATOM 0 HG2 PRO A 57 62.568 28.286 -24.888 1.00 0.00 H new ATOM 0 HG3 PRO A 57 62.315 27.807 -26.555 1.00 0.00 H new ATOM 0 HD2 PRO A 57 64.657 27.214 -25.239 1.00 0.00 H new ATOM 0 HD3 PRO A 57 64.629 27.508 -26.966 1.00 0.00 H new ATOM 595 N GLY A 58 63.421 31.922 -24.052 1.00 0.00 N ATOM 596 CA GLY A 58 63.063 32.522 -22.756 1.00 0.00 C ATOM 597 C GLY A 58 64.008 33.638 -22.278 1.00 0.00 C ATOM 598 O GLY A 58 65.087 33.848 -22.836 1.00 0.00 O ATOM 0 H GLY A 58 63.064 32.457 -24.843 1.00 0.00 H new ATOM 0 HA2 GLY A 58 62.053 32.926 -22.825 1.00 0.00 H new ATOM 0 HA3 GLY A 58 63.041 31.736 -22.001 1.00 0.00 H new ATOM 602 N ALA A 59 63.573 34.369 -21.243 1.00 0.00 N ATOM 603 CA ALA A 59 64.229 35.583 -20.724 1.00 0.00 C ATOM 604 C ALA A 59 64.498 35.563 -19.202 1.00 0.00 C ATOM 605 O ALA A 59 64.744 36.602 -18.585 1.00 0.00 O ATOM 606 CB ALA A 59 63.384 36.785 -21.153 1.00 0.00 C ATOM 0 H ALA A 59 62.728 34.126 -20.725 1.00 0.00 H new ATOM 0 HA ALA A 59 65.229 35.645 -21.152 1.00 0.00 H new ATOM 0 HB1 ALA A 59 63.843 37.702 -20.784 1.00 0.00 H new ATOM 0 HB2 ALA A 59 63.327 36.820 -22.241 1.00 0.00 H new ATOM 0 HB3 ALA A 59 62.380 36.690 -20.740 1.00 0.00 H new ATOM 612 N LEU A 60 64.444 34.375 -18.595 1.00 0.00 N ATOM 613 CA LEU A 60 64.774 34.112 -17.186 1.00 0.00 C ATOM 614 C LEU A 60 66.232 33.623 -17.048 1.00 0.00 C ATOM 615 O LEU A 60 66.801 33.073 -17.994 1.00 0.00 O ATOM 616 CB LEU A 60 63.784 33.085 -16.591 1.00 0.00 C ATOM 617 CG LEU A 60 62.409 33.643 -16.165 1.00 0.00 C ATOM 618 CD1 LEU A 60 61.555 34.152 -17.328 1.00 0.00 C ATOM 619 CD2 LEU A 60 61.618 32.541 -15.458 1.00 0.00 C ATOM 0 H LEU A 60 64.157 33.531 -19.091 1.00 0.00 H new ATOM 0 HA LEU A 60 64.682 35.042 -16.625 1.00 0.00 H new ATOM 0 HB2 LEU A 60 63.623 32.297 -17.326 1.00 0.00 H new ATOM 0 HB3 LEU A 60 64.251 32.620 -15.723 1.00 0.00 H new ATOM 0 HG LEU A 60 62.618 34.492 -15.515 1.00 0.00 H new ATOM 0 HD11 LEU A 60 60.606 34.527 -16.945 1.00 0.00 H new ATOM 0 HD12 LEU A 60 62.082 34.956 -17.842 1.00 0.00 H new ATOM 0 HD13 LEU A 60 61.368 33.336 -18.026 1.00 0.00 H new ATOM 0 HD21 LEU A 60 60.646 32.929 -15.154 1.00 0.00 H new ATOM 0 HD22 LEU A 60 61.477 31.701 -16.138 1.00 0.00 H new ATOM 0 HD23 LEU A 60 62.167 32.207 -14.577 1.00 0.00 H new ATOM 631 N ALA A 61 66.822 33.794 -15.859 1.00 0.00 N ATOM 632 CA ALA A 61 68.152 33.285 -15.522 1.00 0.00 C ATOM 633 C ALA A 61 68.192 32.619 -14.134 1.00 0.00 C ATOM 634 O ALA A 61 67.750 33.203 -13.140 1.00 0.00 O ATOM 635 CB ALA A 61 69.180 34.418 -15.630 1.00 0.00 C ATOM 0 H ALA A 61 66.379 34.299 -15.092 1.00 0.00 H new ATOM 0 HA ALA A 61 68.406 32.504 -16.239 1.00 0.00 H new ATOM 0 HB1 ALA A 61 70.170 34.037 -15.379 1.00 0.00 H new ATOM 0 HB2 ALA A 61 69.189 34.806 -16.649 1.00 0.00 H new ATOM 0 HB3 ALA A 61 68.913 35.218 -14.940 1.00 0.00 H new ATOM 641 N ALA A 62 68.769 31.419 -14.064 1.00 0.00 N ATOM 642 CA ALA A 62 69.148 30.738 -12.827 1.00 0.00 C ATOM 643 C ALA A 62 70.565 31.147 -12.376 1.00 0.00 C ATOM 644 O ALA A 62 71.377 31.623 -13.174 1.00 0.00 O ATOM 645 CB ALA A 62 69.011 29.224 -13.030 1.00 0.00 C ATOM 0 H ALA A 62 68.993 30.876 -14.898 1.00 0.00 H new ATOM 0 HA ALA A 62 68.478 31.039 -12.021 1.00 0.00 H new ATOM 0 HB1 ALA A 62 69.292 28.707 -12.112 1.00 0.00 H new ATOM 0 HB2 ALA A 62 67.978 28.983 -13.281 1.00 0.00 H new ATOM 0 HB3 ALA A 62 69.666 28.905 -13.841 1.00 0.00 H new ATOM 651 N LEU A 63 70.859 30.964 -11.082 1.00 0.00 N ATOM 652 CA LEU A 63 72.113 31.379 -10.437 1.00 0.00 C ATOM 653 C LEU A 63 72.707 30.275 -9.548 1.00 0.00 C ATOM 654 O LEU A 63 71.983 29.426 -9.021 1.00 0.00 O ATOM 655 CB LEU A 63 71.865 32.638 -9.580 1.00 0.00 C ATOM 656 CG LEU A 63 71.380 33.888 -10.334 1.00 0.00 C ATOM 657 CD1 LEU A 63 71.129 35.016 -9.333 1.00 0.00 C ATOM 658 CD2 LEU A 63 72.412 34.382 -11.343 1.00 0.00 C ATOM 0 H LEU A 63 70.213 30.510 -10.436 1.00 0.00 H new ATOM 0 HA LEU A 63 72.829 31.590 -11.231 1.00 0.00 H new ATOM 0 HB2 LEU A 63 71.129 32.392 -8.815 1.00 0.00 H new ATOM 0 HB3 LEU A 63 72.791 32.888 -9.062 1.00 0.00 H new ATOM 0 HG LEU A 63 70.469 33.614 -10.866 1.00 0.00 H new ATOM 0 HD11 LEU A 63 70.785 35.904 -9.864 1.00 0.00 H new ATOM 0 HD12 LEU A 63 70.369 34.704 -8.617 1.00 0.00 H new ATOM 0 HD13 LEU A 63 72.054 35.245 -8.804 1.00 0.00 H new ATOM 0 HD21 LEU A 63 72.028 35.266 -11.853 1.00 0.00 H new ATOM 0 HD22 LEU A 63 73.336 34.635 -10.824 1.00 0.00 H new ATOM 0 HD23 LEU A 63 72.610 33.599 -12.075 1.00 0.00 H new ATOM 670 N HIS A 64 74.019 30.345 -9.313 1.00 0.00 N ATOM 671 CA HIS A 64 74.688 29.610 -8.231 1.00 0.00 C ATOM 672 C HIS A 64 74.481 30.335 -6.893 1.00 0.00 C ATOM 673 O HIS A 64 74.599 31.559 -6.827 1.00 0.00 O ATOM 674 CB HIS A 64 76.180 29.470 -8.550 1.00 0.00 C ATOM 675 CG HIS A 64 76.490 28.507 -9.666 1.00 0.00 C ATOM 676 ND1 HIS A 64 76.434 27.114 -9.567 1.00 0.00 N ATOM 677 CD2 HIS A 64 76.943 28.850 -10.907 1.00 0.00 C ATOM 678 CE1 HIS A 64 76.860 26.648 -10.752 1.00 0.00 C ATOM 679 NE2 HIS A 64 77.175 27.666 -11.573 1.00 0.00 N ATOM 0 H HIS A 64 74.654 30.917 -9.871 1.00 0.00 H new ATOM 0 HA HIS A 64 74.254 28.614 -8.148 1.00 0.00 H new ATOM 0 HB2 HIS A 64 76.577 30.451 -8.812 1.00 0.00 H new ATOM 0 HB3 HIS A 64 76.703 29.145 -7.650 1.00 0.00 H new ATOM 0 HD1 HIS A 64 76.132 26.565 -8.762 1.00 0.00 H new ATOM 0 HD2 HIS A 64 77.090 29.849 -11.290 1.00 0.00 H new ATOM 0 HE1 HIS A 64 76.939 25.602 -11.010 1.00 0.00 H new ATOM 687 N ALA A 65 74.196 29.589 -5.821 1.00 0.00 N ATOM 688 CA ALA A 65 73.858 30.153 -4.506 1.00 0.00 C ATOM 689 C ALA A 65 75.051 30.260 -3.529 1.00 0.00 C ATOM 690 O ALA A 65 74.956 30.950 -2.512 1.00 0.00 O ATOM 691 CB ALA A 65 72.721 29.309 -3.919 1.00 0.00 C ATOM 0 H ALA A 65 74.193 28.569 -5.839 1.00 0.00 H new ATOM 0 HA ALA A 65 73.547 31.188 -4.650 1.00 0.00 H new ATOM 0 HB1 ALA A 65 72.445 29.701 -2.940 1.00 0.00 H new ATOM 0 HB2 ALA A 65 71.858 29.349 -4.583 1.00 0.00 H new ATOM 0 HB3 ALA A 65 73.051 28.275 -3.816 1.00 0.00 H new ATOM 697 N GLU A 66 76.168 29.578 -3.813 1.00 0.00 N ATOM 698 CA GLU A 66 77.332 29.457 -2.918 1.00 0.00 C ATOM 699 C GLU A 66 78.665 29.297 -3.682 1.00 0.00 C ATOM 700 O GLU A 66 78.684 29.079 -4.898 1.00 0.00 O ATOM 701 CB GLU A 66 77.106 28.291 -1.933 1.00 0.00 C ATOM 702 CG GLU A 66 77.010 26.909 -2.596 1.00 0.00 C ATOM 703 CD GLU A 66 76.780 25.814 -1.537 1.00 0.00 C ATOM 704 OE1 GLU A 66 77.772 25.277 -0.984 1.00 0.00 O ATOM 705 OE2 GLU A 66 75.605 25.474 -1.248 1.00 0.00 O ATOM 0 H GLU A 66 76.293 29.081 -4.695 1.00 0.00 H new ATOM 0 HA GLU A 66 77.420 30.390 -2.361 1.00 0.00 H new ATOM 0 HB2 GLU A 66 77.923 28.278 -1.211 1.00 0.00 H new ATOM 0 HB3 GLU A 66 76.189 28.477 -1.374 1.00 0.00 H new ATOM 0 HG2 GLU A 66 76.193 26.902 -3.318 1.00 0.00 H new ATOM 0 HG3 GLU A 66 77.926 26.701 -3.149 1.00 0.00 H new ATOM 712 N GLY A 67 79.790 29.402 -2.961 1.00 0.00 N ATOM 713 CA GLY A 67 81.143 29.273 -3.521 1.00 0.00 C ATOM 714 C GLY A 67 81.590 30.480 -4.367 1.00 0.00 C ATOM 715 O GLY A 67 80.966 31.546 -4.310 1.00 0.00 O ATOM 0 H GLY A 67 79.786 29.582 -1.957 1.00 0.00 H new ATOM 0 HA2 GLY A 67 81.851 29.133 -2.704 1.00 0.00 H new ATOM 0 HA3 GLY A 67 81.186 28.375 -4.137 1.00 0.00 H new ATOM 719 N PRO A 68 82.659 30.342 -5.177 1.00 0.00 N ATOM 720 CA PRO A 68 83.223 31.447 -5.964 1.00 0.00 C ATOM 721 C PRO A 68 82.299 31.942 -7.093 1.00 0.00 C ATOM 722 O PRO A 68 82.479 33.056 -7.587 1.00 0.00 O ATOM 723 CB PRO A 68 84.555 30.912 -6.504 1.00 0.00 C ATOM 724 CG PRO A 68 84.329 29.404 -6.586 1.00 0.00 C ATOM 725 CD PRO A 68 83.448 29.130 -5.370 1.00 0.00 C ATOM 0 HA PRO A 68 83.354 32.332 -5.341 1.00 0.00 H new ATOM 0 HB2 PRO A 68 84.791 31.336 -7.480 1.00 0.00 H new ATOM 0 HB3 PRO A 68 85.384 31.158 -5.841 1.00 0.00 H new ATOM 0 HG2 PRO A 68 83.836 29.118 -7.515 1.00 0.00 H new ATOM 0 HG3 PRO A 68 85.267 28.851 -6.539 1.00 0.00 H new ATOM 0 HD2 PRO A 68 82.805 28.266 -5.538 1.00 0.00 H new ATOM 0 HD3 PRO A 68 84.052 28.911 -4.490 1.00 0.00 H new ATOM 733 N LEU A 69 81.292 31.143 -7.484 1.00 0.00 N ATOM 734 CA LEU A 69 80.271 31.513 -8.472 1.00 0.00 C ATOM 735 C LEU A 69 78.983 32.091 -7.852 1.00 0.00 C ATOM 736 O LEU A 69 78.024 32.312 -8.583 1.00 0.00 O ATOM 737 CB LEU A 69 79.970 30.316 -9.401 1.00 0.00 C ATOM 738 CG LEU A 69 81.149 29.808 -10.254 1.00 0.00 C ATOM 739 CD1 LEU A 69 80.697 28.584 -11.047 1.00 0.00 C ATOM 740 CD2 LEU A 69 81.677 30.846 -11.245 1.00 0.00 C ATOM 0 H LEU A 69 81.165 30.202 -7.112 1.00 0.00 H new ATOM 0 HA LEU A 69 80.689 32.327 -9.064 1.00 0.00 H new ATOM 0 HB2 LEU A 69 79.607 29.490 -8.790 1.00 0.00 H new ATOM 0 HB3 LEU A 69 79.158 30.597 -10.071 1.00 0.00 H new ATOM 0 HG LEU A 69 81.957 29.575 -9.561 1.00 0.00 H new ATOM 0 HD11 LEU A 69 81.525 28.217 -11.654 1.00 0.00 H new ATOM 0 HD12 LEU A 69 80.378 27.802 -10.358 1.00 0.00 H new ATOM 0 HD13 LEU A 69 79.865 28.858 -11.696 1.00 0.00 H new ATOM 0 HD21 LEU A 69 82.505 30.420 -11.811 1.00 0.00 H new ATOM 0 HD22 LEU A 69 80.879 31.134 -11.930 1.00 0.00 H new ATOM 0 HD23 LEU A 69 82.023 31.725 -10.701 1.00 0.00 H new ATOM 752 N ALA A 70 78.909 32.349 -6.542 1.00 0.00 N ATOM 753 CA ALA A 70 77.691 32.863 -5.911 1.00 0.00 C ATOM 754 C ALA A 70 77.187 34.156 -6.591 1.00 0.00 C ATOM 755 O ALA A 70 77.903 35.159 -6.685 1.00 0.00 O ATOM 756 CB ALA A 70 77.939 33.068 -4.413 1.00 0.00 C ATOM 0 H ALA A 70 79.685 32.209 -5.895 1.00 0.00 H new ATOM 0 HA ALA A 70 76.898 32.126 -6.038 1.00 0.00 H new ATOM 0 HB1 ALA A 70 77.033 33.450 -3.943 1.00 0.00 H new ATOM 0 HB2 ALA A 70 78.211 32.117 -3.956 1.00 0.00 H new ATOM 0 HB3 ALA A 70 78.750 33.783 -4.273 1.00 0.00 H new ATOM 762 N GLY A 71 75.943 34.112 -7.076 1.00 0.00 N ATOM 763 CA GLY A 71 75.296 35.185 -7.842 1.00 0.00 C ATOM 764 C GLY A 71 75.635 35.223 -9.345 1.00 0.00 C ATOM 765 O GLY A 71 75.250 36.178 -10.021 1.00 0.00 O ATOM 0 H GLY A 71 75.337 33.302 -6.943 1.00 0.00 H new ATOM 0 HA2 GLY A 71 74.216 35.085 -7.733 1.00 0.00 H new ATOM 0 HA3 GLY A 71 75.574 36.142 -7.400 1.00 0.00 H new ATOM 769 N LEU A 72 76.334 34.210 -9.876 1.00 0.00 N ATOM 770 CA LEU A 72 76.731 34.062 -11.289 1.00 0.00 C ATOM 771 C LEU A 72 75.881 32.968 -12.001 1.00 0.00 C ATOM 772 O LEU A 72 75.253 32.154 -11.315 1.00 0.00 O ATOM 773 CB LEU A 72 78.263 33.826 -11.348 1.00 0.00 C ATOM 774 CG LEU A 72 79.139 34.879 -10.630 1.00 0.00 C ATOM 775 CD1 LEU A 72 80.610 34.655 -10.991 1.00 0.00 C ATOM 776 CD2 LEU A 72 78.817 36.325 -11.016 1.00 0.00 C ATOM 0 H LEU A 72 76.656 33.429 -9.304 1.00 0.00 H new ATOM 0 HA LEU A 72 76.522 34.974 -11.848 1.00 0.00 H new ATOM 0 HB2 LEU A 72 78.477 32.849 -10.916 1.00 0.00 H new ATOM 0 HB3 LEU A 72 78.564 33.784 -12.395 1.00 0.00 H new ATOM 0 HG LEU A 72 78.934 34.748 -9.568 1.00 0.00 H new ATOM 0 HD11 LEU A 72 81.226 35.398 -10.484 1.00 0.00 H new ATOM 0 HD12 LEU A 72 80.914 33.656 -10.677 1.00 0.00 H new ATOM 0 HD13 LEU A 72 80.739 34.751 -12.069 1.00 0.00 H new ATOM 0 HD21 LEU A 72 79.474 37.002 -10.470 1.00 0.00 H new ATOM 0 HD22 LEU A 72 78.968 36.458 -12.087 1.00 0.00 H new ATOM 0 HD23 LEU A 72 77.779 36.546 -10.766 1.00 0.00 H new ATOM 788 N PRO A 73 75.803 32.944 -13.353 1.00 0.00 N ATOM 789 CA PRO A 73 74.872 32.098 -14.117 1.00 0.00 C ATOM 790 C PRO A 73 75.206 30.604 -14.051 1.00 0.00 C ATOM 791 O PRO A 73 76.338 30.234 -13.754 1.00 0.00 O ATOM 792 CB PRO A 73 74.961 32.592 -15.567 1.00 0.00 C ATOM 793 CG PRO A 73 76.338 33.225 -15.674 1.00 0.00 C ATOM 794 CD PRO A 73 76.611 33.737 -14.269 1.00 0.00 C ATOM 0 HA PRO A 73 73.871 32.184 -13.695 1.00 0.00 H new ATOM 0 HB2 PRO A 73 74.847 31.770 -16.273 1.00 0.00 H new ATOM 0 HB3 PRO A 73 74.175 33.314 -15.789 1.00 0.00 H new ATOM 0 HG2 PRO A 73 77.088 32.500 -15.988 1.00 0.00 H new ATOM 0 HG3 PRO A 73 76.351 34.034 -16.404 1.00 0.00 H new ATOM 0 HD2 PRO A 73 77.669 33.645 -14.026 1.00 0.00 H new ATOM 0 HD3 PRO A 73 76.356 34.794 -14.189 1.00 0.00 H new ATOM 802 N VAL A 74 74.262 29.733 -14.420 1.00 0.00 N ATOM 803 CA VAL A 74 74.489 28.277 -14.510 1.00 0.00 C ATOM 804 C VAL A 74 74.592 27.794 -15.968 1.00 0.00 C ATOM 805 O VAL A 74 75.342 26.856 -16.239 1.00 0.00 O ATOM 806 CB VAL A 74 73.415 27.498 -13.721 1.00 0.00 C ATOM 807 CG1 VAL A 74 73.793 26.020 -13.553 1.00 0.00 C ATOM 808 CG2 VAL A 74 73.201 28.067 -12.308 1.00 0.00 C ATOM 0 H VAL A 74 73.313 30.014 -14.667 1.00 0.00 H new ATOM 0 HA VAL A 74 75.454 28.070 -14.048 1.00 0.00 H new ATOM 0 HB VAL A 74 72.502 27.599 -14.309 1.00 0.00 H new ATOM 0 HG11 VAL A 74 73.012 25.506 -12.993 1.00 0.00 H new ATOM 0 HG12 VAL A 74 73.899 25.558 -14.534 1.00 0.00 H new ATOM 0 HG13 VAL A 74 74.737 25.945 -13.012 1.00 0.00 H new ATOM 0 HG21 VAL A 74 72.436 27.485 -11.793 1.00 0.00 H new ATOM 0 HG22 VAL A 74 74.135 28.014 -11.749 1.00 0.00 H new ATOM 0 HG23 VAL A 74 72.880 29.106 -12.379 1.00 0.00 H new ATOM 818 N THR A 75 73.911 28.450 -16.918 1.00 0.00 N ATOM 819 CA THR A 75 73.880 28.083 -18.356 1.00 0.00 C ATOM 820 C THR A 75 74.252 29.230 -19.303 1.00 0.00 C ATOM 821 O THR A 75 74.359 30.386 -18.894 1.00 0.00 O ATOM 822 CB THR A 75 72.512 27.509 -18.759 1.00 0.00 C ATOM 823 OG1 THR A 75 71.556 28.547 -18.792 1.00 0.00 O ATOM 824 CG2 THR A 75 72.059 26.405 -17.812 1.00 0.00 C ATOM 0 H THR A 75 73.348 29.275 -16.710 1.00 0.00 H new ATOM 0 HA THR A 75 74.650 27.319 -18.465 1.00 0.00 H new ATOM 0 HB THR A 75 72.610 27.066 -19.750 1.00 0.00 H new ATOM 0 HG1 THR A 75 70.684 28.181 -19.050 1.00 0.00 H new ATOM 0 HG21 THR A 75 71.088 26.027 -18.132 1.00 0.00 H new ATOM 0 HG22 THR A 75 72.787 25.594 -17.824 1.00 0.00 H new ATOM 0 HG23 THR A 75 71.977 26.804 -16.801 1.00 0.00 H new ATOM 832 N ARG A 76 74.415 28.927 -20.603 1.00 0.00 N ATOM 833 CA ARG A 76 74.602 29.945 -21.661 1.00 0.00 C ATOM 834 C ARG A 76 73.381 30.869 -21.755 1.00 0.00 C ATOM 835 O ARG A 76 73.545 32.079 -21.890 1.00 0.00 O ATOM 836 CB ARG A 76 74.885 29.234 -23.001 1.00 0.00 C ATOM 837 CG ARG A 76 75.229 30.209 -24.143 1.00 0.00 C ATOM 838 CD ARG A 76 75.274 29.506 -25.506 1.00 0.00 C ATOM 839 NE ARG A 76 76.352 28.501 -25.597 1.00 0.00 N ATOM 840 CZ ARG A 76 76.477 27.585 -26.543 1.00 0.00 C ATOM 841 NH1 ARG A 76 75.635 27.485 -27.531 1.00 0.00 N ATOM 842 NH2 ARG A 76 77.464 26.734 -26.511 1.00 0.00 N ATOM 0 H ARG A 76 74.421 27.969 -20.954 1.00 0.00 H new ATOM 0 HA ARG A 76 75.455 30.576 -21.413 1.00 0.00 H new ATOM 0 HB2 ARG A 76 75.711 28.535 -22.867 1.00 0.00 H new ATOM 0 HB3 ARG A 76 74.012 28.646 -23.284 1.00 0.00 H new ATOM 0 HG2 ARG A 76 74.489 31.009 -24.172 1.00 0.00 H new ATOM 0 HG3 ARG A 76 76.194 30.675 -23.943 1.00 0.00 H new ATOM 0 HD2 ARG A 76 74.315 29.021 -25.691 1.00 0.00 H new ATOM 0 HD3 ARG A 76 75.411 30.251 -26.290 1.00 0.00 H new ATOM 0 HE ARG A 76 77.063 28.514 -24.866 1.00 0.00 H new ATOM 0 HH11 ARG A 76 74.845 28.127 -27.595 1.00 0.00 H new ATOM 0 HH12 ARG A 76 75.766 26.765 -28.241 1.00 0.00 H new ATOM 0 HH21 ARG A 76 78.146 26.772 -25.753 1.00 0.00 H new ATOM 0 HH22 ARG A 76 77.554 26.030 -27.244 1.00 0.00 H new ATOM 856 N SER A 77 72.181 30.307 -21.585 1.00 0.00 N ATOM 857 CA SER A 77 70.932 31.071 -21.494 1.00 0.00 C ATOM 858 C SER A 77 70.990 32.046 -20.317 1.00 0.00 C ATOM 859 O SER A 77 70.783 33.247 -20.501 1.00 0.00 O ATOM 860 CB SER A 77 69.733 30.130 -21.331 1.00 0.00 C ATOM 861 OG SER A 77 68.524 30.845 -21.525 1.00 0.00 O ATOM 0 H SER A 77 72.047 29.299 -21.506 1.00 0.00 H new ATOM 0 HA SER A 77 70.810 31.636 -22.418 1.00 0.00 H new ATOM 0 HB2 SER A 77 69.801 29.313 -22.050 1.00 0.00 H new ATOM 0 HB3 SER A 77 69.745 29.682 -20.337 1.00 0.00 H new ATOM 0 HG SER A 77 67.763 30.236 -21.421 1.00 0.00 H new ATOM 867 N ASP A 78 71.392 31.565 -19.132 1.00 0.00 N ATOM 868 CA ASP A 78 71.528 32.425 -17.958 1.00 0.00 C ATOM 869 C ASP A 78 72.557 33.540 -18.205 1.00 0.00 C ATOM 870 O ASP A 78 72.260 34.705 -17.955 1.00 0.00 O ATOM 871 CB ASP A 78 71.956 31.621 -16.728 1.00 0.00 C ATOM 872 CG ASP A 78 71.032 30.477 -16.304 1.00 0.00 C ATOM 873 OD1 ASP A 78 69.803 30.528 -16.545 1.00 0.00 O ATOM 874 OD2 ASP A 78 71.575 29.548 -15.663 1.00 0.00 O ATOM 0 H ASP A 78 71.627 30.586 -18.966 1.00 0.00 H new ATOM 0 HA ASP A 78 70.550 32.869 -17.775 1.00 0.00 H new ATOM 0 HB2 ASP A 78 72.946 31.207 -16.919 1.00 0.00 H new ATOM 0 HB3 ASP A 78 72.055 32.309 -15.888 1.00 0.00 H new ATOM 879 N ALA A 79 73.742 33.216 -18.741 1.00 0.00 N ATOM 880 CA ALA A 79 74.796 34.195 -19.010 1.00 0.00 C ATOM 881 C ALA A 79 74.366 35.271 -20.029 1.00 0.00 C ATOM 882 O ALA A 79 74.565 36.460 -19.772 1.00 0.00 O ATOM 883 CB ALA A 79 76.070 33.440 -19.433 1.00 0.00 C ATOM 0 H ALA A 79 73.994 32.262 -19.000 1.00 0.00 H new ATOM 0 HA ALA A 79 75.004 34.755 -18.099 1.00 0.00 H new ATOM 0 HB1 ALA A 79 76.866 34.156 -19.637 1.00 0.00 H new ATOM 0 HB2 ALA A 79 76.380 32.772 -18.630 1.00 0.00 H new ATOM 0 HB3 ALA A 79 75.866 32.858 -20.332 1.00 0.00 H new ATOM 889 N ARG A 80 73.709 34.895 -21.138 1.00 0.00 N ATOM 890 CA ARG A 80 73.184 35.847 -22.142 1.00 0.00 C ATOM 891 C ARG A 80 72.119 36.775 -21.536 1.00 0.00 C ATOM 892 O ARG A 80 72.194 37.992 -21.701 1.00 0.00 O ATOM 893 CB ARG A 80 72.645 35.061 -23.358 1.00 0.00 C ATOM 894 CG ARG A 80 72.283 35.986 -24.537 1.00 0.00 C ATOM 895 CD ARG A 80 71.560 35.261 -25.685 1.00 0.00 C ATOM 896 NE ARG A 80 72.385 34.236 -26.362 1.00 0.00 N ATOM 897 CZ ARG A 80 73.328 34.417 -27.272 1.00 0.00 C ATOM 898 NH1 ARG A 80 73.746 35.600 -27.627 1.00 0.00 N ATOM 899 NH2 ARG A 80 73.864 33.390 -27.858 1.00 0.00 N ATOM 0 H ARG A 80 73.524 33.919 -21.368 1.00 0.00 H new ATOM 0 HA ARG A 80 73.994 36.494 -22.479 1.00 0.00 H new ATOM 0 HB2 ARG A 80 73.394 34.339 -23.682 1.00 0.00 H new ATOM 0 HB3 ARG A 80 71.763 34.494 -23.060 1.00 0.00 H new ATOM 0 HG2 ARG A 80 71.650 36.795 -24.173 1.00 0.00 H new ATOM 0 HG3 ARG A 80 73.194 36.443 -24.923 1.00 0.00 H new ATOM 0 HD2 ARG A 80 70.660 34.788 -25.293 1.00 0.00 H new ATOM 0 HD3 ARG A 80 71.238 35.998 -26.421 1.00 0.00 H new ATOM 0 HE ARG A 80 72.204 33.269 -26.093 1.00 0.00 H new ATOM 0 HH11 ARG A 80 73.343 36.433 -27.198 1.00 0.00 H new ATOM 0 HH12 ARG A 80 74.476 35.692 -28.333 1.00 0.00 H new ATOM 0 HH21 ARG A 80 73.558 32.448 -27.616 1.00 0.00 H new ATOM 0 HH22 ARG A 80 74.591 33.526 -28.560 1.00 0.00 H new ATOM 913 N VAL A 81 71.163 36.210 -20.794 1.00 0.00 N ATOM 914 CA VAL A 81 70.084 36.961 -20.126 1.00 0.00 C ATOM 915 C VAL A 81 70.636 37.913 -19.073 1.00 0.00 C ATOM 916 O VAL A 81 70.256 39.080 -19.054 1.00 0.00 O ATOM 917 CB VAL A 81 69.068 35.996 -19.490 1.00 0.00 C ATOM 918 CG1 VAL A 81 68.053 36.697 -18.578 1.00 0.00 C ATOM 919 CG2 VAL A 81 68.277 35.294 -20.592 1.00 0.00 C ATOM 0 H VAL A 81 71.111 35.204 -20.635 1.00 0.00 H new ATOM 0 HA VAL A 81 69.578 37.557 -20.886 1.00 0.00 H new ATOM 0 HB VAL A 81 69.648 35.298 -18.886 1.00 0.00 H new ATOM 0 HG11 VAL A 81 67.367 35.959 -18.163 1.00 0.00 H new ATOM 0 HG12 VAL A 81 68.579 37.200 -17.767 1.00 0.00 H new ATOM 0 HG13 VAL A 81 67.491 37.431 -19.156 1.00 0.00 H new ATOM 0 HG21 VAL A 81 67.557 34.610 -20.143 1.00 0.00 H new ATOM 0 HG22 VAL A 81 67.749 36.036 -21.190 1.00 0.00 H new ATOM 0 HG23 VAL A 81 68.961 34.734 -21.230 1.00 0.00 H new ATOM 929 N LEU A 82 71.558 37.451 -18.225 1.00 0.00 N ATOM 930 CA LEU A 82 72.207 38.305 -17.222 1.00 0.00 C ATOM 931 C LEU A 82 72.977 39.464 -17.866 1.00 0.00 C ATOM 932 O LEU A 82 72.788 40.598 -17.433 1.00 0.00 O ATOM 933 CB LEU A 82 73.145 37.497 -16.314 1.00 0.00 C ATOM 934 CG LEU A 82 72.458 36.574 -15.294 1.00 0.00 C ATOM 935 CD1 LEU A 82 73.543 35.867 -14.486 1.00 0.00 C ATOM 936 CD2 LEU A 82 71.534 37.309 -14.321 1.00 0.00 C ATOM 0 H LEU A 82 71.875 36.482 -18.212 1.00 0.00 H new ATOM 0 HA LEU A 82 71.407 38.725 -16.612 1.00 0.00 H new ATOM 0 HB2 LEU A 82 73.796 36.891 -16.944 1.00 0.00 H new ATOM 0 HB3 LEU A 82 73.785 38.194 -15.772 1.00 0.00 H new ATOM 0 HG LEU A 82 71.835 35.880 -15.858 1.00 0.00 H new ATOM 0 HD11 LEU A 82 73.079 35.205 -13.754 1.00 0.00 H new ATOM 0 HD12 LEU A 82 74.173 35.282 -15.156 1.00 0.00 H new ATOM 0 HD13 LEU A 82 74.153 36.608 -13.970 1.00 0.00 H new ATOM 0 HD21 LEU A 82 71.086 36.592 -13.633 1.00 0.00 H new ATOM 0 HD22 LEU A 82 72.109 38.043 -13.757 1.00 0.00 H new ATOM 0 HD23 LEU A 82 70.747 37.816 -14.879 1.00 0.00 H new ATOM 948 N ILE A 83 73.770 39.219 -18.921 1.00 0.00 N ATOM 949 CA ILE A 83 74.440 40.294 -19.677 1.00 0.00 C ATOM 950 C ILE A 83 73.407 41.320 -20.155 1.00 0.00 C ATOM 951 O ILE A 83 73.566 42.510 -19.886 1.00 0.00 O ATOM 952 CB ILE A 83 75.277 39.730 -20.852 1.00 0.00 C ATOM 953 CG1 ILE A 83 76.547 39.049 -20.291 1.00 0.00 C ATOM 954 CG2 ILE A 83 75.665 40.830 -21.868 1.00 0.00 C ATOM 955 CD1 ILE A 83 77.275 38.159 -21.304 1.00 0.00 C ATOM 0 H ILE A 83 73.965 38.282 -19.273 1.00 0.00 H new ATOM 0 HA ILE A 83 75.141 40.799 -19.012 1.00 0.00 H new ATOM 0 HB ILE A 83 74.667 39.001 -21.385 1.00 0.00 H new ATOM 0 HG12 ILE A 83 77.234 39.818 -19.939 1.00 0.00 H new ATOM 0 HG13 ILE A 83 76.272 38.447 -19.425 1.00 0.00 H new ATOM 0 HG21 ILE A 83 76.251 40.390 -22.675 1.00 0.00 H new ATOM 0 HG22 ILE A 83 74.762 41.280 -22.279 1.00 0.00 H new ATOM 0 HG23 ILE A 83 76.256 41.596 -21.367 1.00 0.00 H new ATOM 0 HD11 ILE A 83 78.154 37.718 -20.835 1.00 0.00 H new ATOM 0 HD12 ILE A 83 76.606 37.366 -21.639 1.00 0.00 H new ATOM 0 HD13 ILE A 83 77.583 38.759 -22.160 1.00 0.00 H new ATOM 967 N PHE A 84 72.335 40.870 -20.816 1.00 0.00 N ATOM 968 CA PHE A 84 71.314 41.771 -21.344 1.00 0.00 C ATOM 969 C PHE A 84 70.585 42.565 -20.252 1.00 0.00 C ATOM 970 O PHE A 84 70.460 43.780 -20.373 1.00 0.00 O ATOM 971 CB PHE A 84 70.309 40.984 -22.196 1.00 0.00 C ATOM 972 CG PHE A 84 69.437 41.866 -23.070 1.00 0.00 C ATOM 973 CD1 PHE A 84 70.032 42.752 -23.988 1.00 0.00 C ATOM 974 CD2 PHE A 84 68.032 41.793 -22.992 1.00 0.00 C ATOM 975 CE1 PHE A 84 69.243 43.521 -24.853 1.00 0.00 C ATOM 976 CE2 PHE A 84 67.237 42.589 -23.839 1.00 0.00 C ATOM 977 CZ PHE A 84 67.841 43.447 -24.777 1.00 0.00 C ATOM 0 H PHE A 84 72.155 39.882 -20.997 1.00 0.00 H new ATOM 0 HA PHE A 84 71.830 42.504 -21.964 1.00 0.00 H new ATOM 0 HB2 PHE A 84 70.852 40.282 -22.829 1.00 0.00 H new ATOM 0 HB3 PHE A 84 69.671 40.393 -21.539 1.00 0.00 H new ATOM 0 HD1 PHE A 84 71.108 42.840 -24.026 1.00 0.00 H new ATOM 0 HD2 PHE A 84 67.565 41.126 -22.282 1.00 0.00 H new ATOM 0 HE1 PHE A 84 69.711 44.170 -25.578 1.00 0.00 H new ATOM 0 HE2 PHE A 84 66.160 42.541 -23.769 1.00 0.00 H new ATOM 0 HZ PHE A 84 67.230 44.046 -25.436 1.00 0.00 H new ATOM 987 N ASN A 85 70.143 41.908 -19.176 1.00 0.00 N ATOM 988 CA ASN A 85 69.365 42.528 -18.102 1.00 0.00 C ATOM 989 C ASN A 85 70.211 43.507 -17.266 1.00 0.00 C ATOM 990 O ASN A 85 69.786 44.640 -17.017 1.00 0.00 O ATOM 991 CB ASN A 85 68.751 41.421 -17.222 1.00 0.00 C ATOM 992 CG ASN A 85 67.622 40.635 -17.883 1.00 0.00 C ATOM 993 OD1 ASN A 85 67.240 40.838 -19.028 1.00 0.00 O ATOM 994 ND2 ASN A 85 67.025 39.715 -17.158 1.00 0.00 N ATOM 0 H ASN A 85 70.319 40.915 -19.025 1.00 0.00 H new ATOM 0 HA ASN A 85 68.566 43.121 -18.547 1.00 0.00 H new ATOM 0 HB2 ASN A 85 69.539 40.726 -16.934 1.00 0.00 H new ATOM 0 HB3 ASN A 85 68.373 41.872 -16.305 1.00 0.00 H new ATOM 0 HD21 ASN A 85 66.252 39.179 -17.551 1.00 0.00 H new ATOM 0 HD22 ASN A 85 67.335 39.538 -16.203 1.00 0.00 H new ATOM 1001 N GLU A 86 71.424 43.101 -16.869 1.00 0.00 N ATOM 1002 CA GLU A 86 72.344 43.976 -16.138 1.00 0.00 C ATOM 1003 C GLU A 86 72.759 45.184 -16.980 1.00 0.00 C ATOM 1004 O GLU A 86 72.727 46.309 -16.475 1.00 0.00 O ATOM 1005 CB GLU A 86 73.605 43.223 -15.700 1.00 0.00 C ATOM 1006 CG GLU A 86 73.380 42.282 -14.511 1.00 0.00 C ATOM 1007 CD GLU A 86 74.723 41.720 -14.001 1.00 0.00 C ATOM 1008 OE1 GLU A 86 75.609 42.531 -13.625 1.00 0.00 O ATOM 1009 OE2 GLU A 86 74.894 40.478 -13.953 1.00 0.00 O ATOM 0 H GLU A 86 71.791 42.166 -17.044 1.00 0.00 H new ATOM 0 HA GLU A 86 71.805 44.321 -15.256 1.00 0.00 H new ATOM 0 HB2 GLU A 86 73.983 42.645 -16.543 1.00 0.00 H new ATOM 0 HB3 GLU A 86 74.377 43.947 -15.438 1.00 0.00 H new ATOM 0 HG2 GLU A 86 72.875 42.818 -13.707 1.00 0.00 H new ATOM 0 HG3 GLU A 86 72.726 41.462 -14.808 1.00 0.00 H new ATOM 1016 N TRP A 87 73.099 44.983 -18.261 1.00 0.00 N ATOM 1017 CA TRP A 87 73.357 46.101 -19.157 1.00 0.00 C ATOM 1018 C TRP A 87 72.120 46.986 -19.308 1.00 0.00 C ATOM 1019 O TRP A 87 72.255 48.183 -19.120 1.00 0.00 O ATOM 1020 CB TRP A 87 73.842 45.600 -20.510 1.00 0.00 C ATOM 1021 CG TRP A 87 73.919 46.645 -21.574 1.00 0.00 C ATOM 1022 CD1 TRP A 87 74.898 47.560 -21.755 1.00 0.00 C ATOM 1023 CD2 TRP A 87 72.987 46.835 -22.675 1.00 0.00 C ATOM 1024 NE1 TRP A 87 74.631 48.299 -22.891 1.00 0.00 N ATOM 1025 CE2 TRP A 87 73.477 47.880 -23.511 1.00 0.00 C ATOM 1026 CE3 TRP A 87 71.825 46.161 -23.098 1.00 0.00 C ATOM 1027 CZ2 TRP A 87 72.881 48.201 -24.737 1.00 0.00 C ATOM 1028 CZ3 TRP A 87 71.213 46.493 -24.315 1.00 0.00 C ATOM 1029 CH2 TRP A 87 71.730 47.506 -25.140 1.00 0.00 C ATOM 0 H TRP A 87 73.199 44.063 -18.690 1.00 0.00 H new ATOM 0 HA TRP A 87 74.145 46.712 -18.718 1.00 0.00 H new ATOM 0 HB2 TRP A 87 74.829 45.156 -20.385 1.00 0.00 H new ATOM 0 HB3 TRP A 87 73.176 44.806 -20.848 1.00 0.00 H new ATOM 0 HD1 TRP A 87 75.755 47.692 -21.112 1.00 0.00 H new ATOM 0 HE1 TRP A 87 75.218 49.062 -23.229 1.00 0.00 H new ATOM 0 HE3 TRP A 87 71.402 45.383 -22.480 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 73.301 48.973 -25.364 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 70.326 45.959 -24.624 1.00 0.00 H new ATOM 0 HH2 TRP A 87 71.247 47.748 -26.075 1.00 0.00 H new ATOM 1040 N GLU A 88 70.922 46.453 -19.555 1.00 0.00 N ATOM 1041 CA GLU A 88 69.699 47.254 -19.686 1.00 0.00 C ATOM 1042 C GLU A 88 69.447 48.166 -18.470 1.00 0.00 C ATOM 1043 O GLU A 88 69.161 49.349 -18.655 1.00 0.00 O ATOM 1044 CB GLU A 88 68.484 46.341 -19.922 1.00 0.00 C ATOM 1045 CG GLU A 88 68.262 45.973 -21.394 1.00 0.00 C ATOM 1046 CD GLU A 88 67.511 47.095 -22.141 1.00 0.00 C ATOM 1047 OE1 GLU A 88 68.142 48.093 -22.570 1.00 0.00 O ATOM 1048 OE2 GLU A 88 66.268 46.995 -22.295 1.00 0.00 O ATOM 0 H GLU A 88 70.770 45.451 -19.670 1.00 0.00 H new ATOM 0 HA GLU A 88 69.842 47.905 -20.548 1.00 0.00 H new ATOM 0 HB2 GLU A 88 68.611 45.426 -19.344 1.00 0.00 H new ATOM 0 HB3 GLU A 88 67.590 46.836 -19.542 1.00 0.00 H new ATOM 0 HG2 GLU A 88 69.223 45.792 -21.875 1.00 0.00 H new ATOM 0 HG3 GLU A 88 67.693 45.045 -21.458 1.00 0.00 H new ATOM 1055 N GLU A 89 69.605 47.675 -17.233 1.00 0.00 N ATOM 1056 CA GLU A 89 69.460 48.519 -16.032 1.00 0.00 C ATOM 1057 C GLU A 89 70.573 49.579 -15.914 1.00 0.00 C ATOM 1058 O GLU A 89 70.306 50.788 -15.819 1.00 0.00 O ATOM 1059 CB GLU A 89 69.420 47.652 -14.764 1.00 0.00 C ATOM 1060 CG GLU A 89 68.148 46.803 -14.680 1.00 0.00 C ATOM 1061 CD GLU A 89 68.078 46.048 -13.339 1.00 0.00 C ATOM 1062 OE1 GLU A 89 68.614 44.917 -13.236 1.00 0.00 O ATOM 1063 OE2 GLU A 89 67.479 46.579 -12.371 1.00 0.00 O ATOM 0 H GLU A 89 69.833 46.701 -17.035 1.00 0.00 H new ATOM 0 HA GLU A 89 68.515 49.053 -16.136 1.00 0.00 H new ATOM 0 HB2 GLU A 89 70.292 46.998 -14.746 1.00 0.00 H new ATOM 0 HB3 GLU A 89 69.484 48.294 -13.885 1.00 0.00 H new ATOM 0 HG2 GLU A 89 67.272 47.442 -14.788 1.00 0.00 H new ATOM 0 HG3 GLU A 89 68.127 46.090 -15.505 1.00 0.00 H new ATOM 1070 N ARG A 90 71.842 49.148 -15.963 1.00 0.00 N ATOM 1071 CA ARG A 90 72.982 50.073 -15.806 1.00 0.00 C ATOM 1072 C ARG A 90 73.050 51.084 -16.936 1.00 0.00 C ATOM 1073 O ARG A 90 73.335 52.243 -16.689 1.00 0.00 O ATOM 1074 CB ARG A 90 74.311 49.318 -15.658 1.00 0.00 C ATOM 1075 CG ARG A 90 74.267 48.507 -14.364 1.00 0.00 C ATOM 1076 CD ARG A 90 75.651 48.123 -13.822 1.00 0.00 C ATOM 1077 NE ARG A 90 76.257 46.983 -14.541 1.00 0.00 N ATOM 1078 CZ ARG A 90 76.168 45.707 -14.206 1.00 0.00 C ATOM 1079 NH1 ARG A 90 75.435 45.273 -13.225 1.00 0.00 N ATOM 1080 NH2 ARG A 90 76.811 44.781 -14.851 1.00 0.00 N ATOM 0 H ARG A 90 72.107 48.174 -16.109 1.00 0.00 H new ATOM 0 HA ARG A 90 72.813 50.626 -14.882 1.00 0.00 H new ATOM 0 HB2 ARG A 90 74.470 48.660 -16.512 1.00 0.00 H new ATOM 0 HB3 ARG A 90 75.145 50.020 -15.637 1.00 0.00 H new ATOM 0 HG2 ARG A 90 73.737 49.082 -13.605 1.00 0.00 H new ATOM 0 HG3 ARG A 90 73.690 47.598 -14.536 1.00 0.00 H new ATOM 0 HD2 ARG A 90 76.315 48.985 -13.893 1.00 0.00 H new ATOM 0 HD3 ARG A 90 75.565 47.874 -12.764 1.00 0.00 H new ATOM 0 HE ARG A 90 76.797 47.202 -15.378 1.00 0.00 H new ATOM 0 HH11 ARG A 90 74.889 45.930 -12.667 1.00 0.00 H new ATOM 0 HH12 ARG A 90 75.406 44.276 -13.013 1.00 0.00 H new ATOM 0 HH21 ARG A 90 77.406 45.029 -15.641 1.00 0.00 H new ATOM 0 HH22 ARG A 90 76.721 43.805 -14.567 1.00 0.00 H new ATOM 1094 N LYS A 91 72.684 50.678 -18.143 1.00 0.00 N ATOM 1095 CA LYS A 91 72.573 51.540 -19.338 1.00 0.00 C ATOM 1096 C LYS A 91 71.347 52.458 -19.320 1.00 0.00 C ATOM 1097 O LYS A 91 71.439 53.575 -19.822 1.00 0.00 O ATOM 1098 CB LYS A 91 72.620 50.686 -20.623 1.00 0.00 C ATOM 1099 CG LYS A 91 72.816 51.460 -21.941 1.00 0.00 C ATOM 1100 CD LYS A 91 71.501 51.705 -22.701 1.00 0.00 C ATOM 1101 CE LYS A 91 71.788 52.360 -24.060 1.00 0.00 C ATOM 1102 NZ LYS A 91 70.539 52.571 -24.848 1.00 0.00 N ATOM 0 H LYS A 91 72.445 49.706 -18.337 1.00 0.00 H new ATOM 0 HA LYS A 91 73.435 52.207 -19.323 1.00 0.00 H new ATOM 0 HB2 LYS A 91 73.430 49.963 -20.526 1.00 0.00 H new ATOM 0 HB3 LYS A 91 71.692 50.118 -20.693 1.00 0.00 H new ATOM 0 HG2 LYS A 91 73.287 52.419 -21.725 1.00 0.00 H new ATOM 0 HG3 LYS A 91 73.501 50.905 -22.582 1.00 0.00 H new ATOM 0 HD2 LYS A 91 70.976 50.761 -22.848 1.00 0.00 H new ATOM 0 HD3 LYS A 91 70.846 52.346 -22.111 1.00 0.00 H new ATOM 0 HE2 LYS A 91 72.286 53.317 -23.904 1.00 0.00 H new ATOM 0 HE3 LYS A 91 72.475 51.732 -24.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 70.774 53.015 -25.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 70.077 51.655 -25.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 69.894 53.190 -24.317 1.00 0.00 H new ATOM 1116 N LYS A 92 70.228 52.072 -18.689 1.00 0.00 N ATOM 1117 CA LYS A 92 69.139 53.014 -18.369 1.00 0.00 C ATOM 1118 C LYS A 92 69.630 54.119 -17.420 1.00 0.00 C ATOM 1119 O LYS A 92 69.245 55.277 -17.592 1.00 0.00 O ATOM 1120 CB LYS A 92 67.926 52.240 -17.819 1.00 0.00 C ATOM 1121 CG LYS A 92 66.708 53.146 -17.606 1.00 0.00 C ATOM 1122 CD LYS A 92 65.478 52.333 -17.174 1.00 0.00 C ATOM 1123 CE LYS A 92 64.272 53.264 -16.979 1.00 0.00 C ATOM 1124 NZ LYS A 92 63.053 52.511 -16.572 1.00 0.00 N ATOM 0 H LYS A 92 70.051 51.113 -18.389 1.00 0.00 H new ATOM 0 HA LYS A 92 68.815 53.521 -19.278 1.00 0.00 H new ATOM 0 HB2 LYS A 92 67.664 51.439 -18.511 1.00 0.00 H new ATOM 0 HB3 LYS A 92 68.196 51.769 -16.874 1.00 0.00 H new ATOM 0 HG2 LYS A 92 66.937 53.895 -16.847 1.00 0.00 H new ATOM 0 HG3 LYS A 92 66.486 53.684 -18.528 1.00 0.00 H new ATOM 0 HD2 LYS A 92 65.248 51.579 -17.927 1.00 0.00 H new ATOM 0 HD3 LYS A 92 65.691 51.802 -16.246 1.00 0.00 H new ATOM 0 HE2 LYS A 92 64.508 54.011 -16.221 1.00 0.00 H new ATOM 0 HE3 LYS A 92 64.074 53.802 -17.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 62.260 53.173 -16.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 62.813 51.815 -17.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 63.233 52.018 -15.674 1.00 0.00 H new ATOM 1138 N SER A 93 70.538 53.794 -16.490 1.00 0.00 N ATOM 1139 CA SER A 93 71.272 54.819 -15.716 1.00 0.00 C ATOM 1140 C SER A 93 72.381 55.548 -16.523 1.00 0.00 C ATOM 1141 O SER A 93 72.600 56.748 -16.338 1.00 0.00 O ATOM 1142 CB SER A 93 71.840 54.190 -14.438 1.00 0.00 C ATOM 1143 OG SER A 93 72.248 55.196 -13.524 1.00 0.00 O ATOM 0 H SER A 93 70.785 52.834 -16.252 1.00 0.00 H new ATOM 0 HA SER A 93 70.551 55.595 -15.459 1.00 0.00 H new ATOM 0 HB2 SER A 93 71.087 53.553 -13.974 1.00 0.00 H new ATOM 0 HB3 SER A 93 72.688 53.551 -14.686 1.00 0.00 H new ATOM 0 HG SER A 93 72.606 54.776 -12.714 1.00 0.00 H new ATOM 1149 N GLU A 94 73.055 54.852 -17.446 1.00 0.00 N ATOM 1150 CA GLU A 94 74.287 55.264 -18.145 1.00 0.00 C ATOM 1151 C GLU A 94 74.196 55.005 -19.669 1.00 0.00 C ATOM 1152 O GLU A 94 74.723 54.000 -20.155 1.00 0.00 O ATOM 1153 CB GLU A 94 75.501 54.501 -17.566 1.00 0.00 C ATOM 1154 CG GLU A 94 75.658 54.634 -16.053 1.00 0.00 C ATOM 1155 CD GLU A 94 77.003 54.045 -15.583 1.00 0.00 C ATOM 1156 OE1 GLU A 94 77.083 52.820 -15.314 1.00 0.00 O ATOM 1157 OE2 GLU A 94 77.994 54.805 -15.455 1.00 0.00 O ATOM 0 H GLU A 94 72.739 53.930 -17.746 1.00 0.00 H new ATOM 0 HA GLU A 94 74.411 56.336 -17.990 1.00 0.00 H new ATOM 0 HB2 GLU A 94 75.407 53.445 -17.819 1.00 0.00 H new ATOM 0 HB3 GLU A 94 76.408 54.865 -18.048 1.00 0.00 H new ATOM 0 HG2 GLU A 94 75.598 55.685 -15.769 1.00 0.00 H new ATOM 0 HG3 GLU A 94 74.837 54.121 -15.552 1.00 0.00 H new ATOM 1164 N PRO A 95 73.542 55.876 -20.466 1.00 0.00 N ATOM 1165 CA PRO A 95 73.201 55.597 -21.872 1.00 0.00 C ATOM 1166 C PRO A 95 74.389 55.355 -22.831 1.00 0.00 C ATOM 1167 O PRO A 95 74.179 54.968 -23.983 1.00 0.00 O ATOM 1168 CB PRO A 95 72.313 56.770 -22.317 1.00 0.00 C ATOM 1169 CG PRO A 95 72.628 57.884 -21.319 1.00 0.00 C ATOM 1170 CD PRO A 95 72.911 57.111 -20.035 1.00 0.00 C ATOM 0 HA PRO A 95 72.691 54.635 -21.926 1.00 0.00 H new ATOM 0 HB2 PRO A 95 72.540 57.075 -23.338 1.00 0.00 H new ATOM 0 HB3 PRO A 95 71.257 56.501 -22.292 1.00 0.00 H new ATOM 0 HG2 PRO A 95 73.487 58.478 -21.632 1.00 0.00 H new ATOM 0 HG3 PRO A 95 71.791 58.572 -21.202 1.00 0.00 H new ATOM 0 HD2 PRO A 95 73.565 57.676 -19.371 1.00 0.00 H new ATOM 0 HD3 PRO A 95 71.992 56.912 -19.484 1.00 0.00 H new ATOM 1178 N TRP A 96 75.629 55.538 -22.367 1.00 0.00 N ATOM 1179 CA TRP A 96 76.883 55.255 -23.078 1.00 0.00 C ATOM 1180 C TRP A 96 77.423 53.815 -22.896 1.00 0.00 C ATOM 1181 O TRP A 96 78.444 53.475 -23.502 1.00 0.00 O ATOM 1182 CB TRP A 96 77.916 56.297 -22.622 1.00 0.00 C ATOM 1183 CG TRP A 96 78.124 56.384 -21.136 1.00 0.00 C ATOM 1184 CD1 TRP A 96 78.985 55.634 -20.412 1.00 0.00 C ATOM 1185 CD2 TRP A 96 77.439 57.246 -20.173 1.00 0.00 C ATOM 1186 NE1 TRP A 96 78.884 55.971 -19.074 1.00 0.00 N ATOM 1187 CE2 TRP A 96 77.943 56.956 -18.869 1.00 0.00 C ATOM 1188 CE3 TRP A 96 76.437 58.236 -20.268 1.00 0.00 C ATOM 1189 CZ2 TRP A 96 77.470 57.608 -17.719 1.00 0.00 C ATOM 1190 CZ3 TRP A 96 75.960 58.902 -19.120 1.00 0.00 C ATOM 1191 CH2 TRP A 96 76.468 58.585 -17.847 1.00 0.00 C ATOM 0 H TRP A 96 75.796 55.909 -21.432 1.00 0.00 H new ATOM 0 HA TRP A 96 76.684 55.325 -24.147 1.00 0.00 H new ATOM 0 HB2 TRP A 96 78.872 56.068 -23.094 1.00 0.00 H new ATOM 0 HB3 TRP A 96 77.606 57.276 -22.987 1.00 0.00 H new ATOM 0 HD1 TRP A 96 79.650 54.886 -20.817 1.00 0.00 H new ATOM 0 HE1 TRP A 96 79.437 55.543 -18.332 1.00 0.00 H new ATOM 0 HE3 TRP A 96 76.029 58.487 -21.236 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 77.872 57.362 -16.747 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 75.199 59.662 -19.219 1.00 0.00 H new ATOM 0 HH2 TRP A 96 76.089 59.091 -16.971 1.00 0.00 H new ATOM 1202 N LEU A 97 76.796 52.960 -22.072 1.00 0.00 N ATOM 1203 CA LEU A 97 77.310 51.631 -21.737 1.00 0.00 C ATOM 1204 C LEU A 97 77.329 50.663 -22.941 1.00 0.00 C ATOM 1205 O LEU A 97 76.328 50.510 -23.648 1.00 0.00 O ATOM 1206 CB LEU A 97 76.467 51.062 -20.581 1.00 0.00 C ATOM 1207 CG LEU A 97 77.122 49.902 -19.828 1.00 0.00 C ATOM 1208 CD1 LEU A 97 78.399 50.304 -19.086 1.00 0.00 C ATOM 1209 CD2 LEU A 97 76.146 49.343 -18.792 1.00 0.00 C ATOM 0 H LEU A 97 75.909 53.178 -21.617 1.00 0.00 H new ATOM 0 HA LEU A 97 78.352 51.735 -21.434 1.00 0.00 H new ATOM 0 HB2 LEU A 97 76.255 51.864 -19.874 1.00 0.00 H new ATOM 0 HB3 LEU A 97 75.509 50.726 -20.978 1.00 0.00 H new ATOM 0 HG LEU A 97 77.384 49.162 -20.585 1.00 0.00 H new ATOM 0 HD11 LEU A 97 78.811 49.435 -18.574 1.00 0.00 H new ATOM 0 HD12 LEU A 97 79.130 50.685 -19.799 1.00 0.00 H new ATOM 0 HD13 LEU A 97 78.167 51.079 -18.355 1.00 0.00 H new ATOM 0 HD21 LEU A 97 76.616 48.517 -18.258 1.00 0.00 H new ATOM 0 HD22 LEU A 97 75.878 50.127 -18.084 1.00 0.00 H new ATOM 0 HD23 LEU A 97 75.247 48.985 -19.295 1.00 0.00 H new ATOM 1221 N ARG A 98 78.448 49.952 -23.136 1.00 0.00 N ATOM 1222 CA ARG A 98 78.660 48.980 -24.226 1.00 0.00 C ATOM 1223 C ARG A 98 78.121 47.578 -23.886 1.00 0.00 C ATOM 1224 O ARG A 98 78.060 47.192 -22.718 1.00 0.00 O ATOM 1225 CB ARG A 98 80.160 49.000 -24.575 1.00 0.00 C ATOM 1226 CG ARG A 98 80.540 48.164 -25.809 1.00 0.00 C ATOM 1227 CD ARG A 98 81.973 48.442 -26.286 1.00 0.00 C ATOM 1228 NE ARG A 98 82.985 48.095 -25.266 1.00 0.00 N ATOM 1229 CZ ARG A 98 84.205 48.600 -25.175 1.00 0.00 C ATOM 1230 NH1 ARG A 98 84.668 49.431 -26.055 1.00 0.00 N ATOM 1231 NH2 ARG A 98 84.996 48.280 -24.192 1.00 0.00 N ATOM 0 H ARG A 98 79.258 50.038 -22.522 1.00 0.00 H new ATOM 0 HA ARG A 98 78.084 49.267 -25.106 1.00 0.00 H new ATOM 0 HB2 ARG A 98 80.467 50.032 -24.743 1.00 0.00 H new ATOM 0 HB3 ARG A 98 80.724 48.635 -23.717 1.00 0.00 H new ATOM 0 HG2 ARG A 98 80.438 47.105 -25.572 1.00 0.00 H new ATOM 0 HG3 ARG A 98 79.842 48.379 -26.619 1.00 0.00 H new ATOM 0 HD2 ARG A 98 82.167 47.872 -27.195 1.00 0.00 H new ATOM 0 HD3 ARG A 98 82.069 49.497 -26.544 1.00 0.00 H new ATOM 0 HE ARG A 98 82.718 47.402 -24.567 1.00 0.00 H new ATOM 0 HH11 ARG A 98 84.088 49.713 -26.845 1.00 0.00 H new ATOM 0 HH12 ARG A 98 85.613 49.803 -25.958 1.00 0.00 H new ATOM 0 HH21 ARG A 98 84.679 47.629 -23.474 1.00 0.00 H new ATOM 0 HH22 ARG A 98 85.933 48.680 -24.140 1.00 0.00 H new ATOM 1245 N LEU A 99 77.741 46.826 -24.923 1.00 0.00 N ATOM 1246 CA LEU A 99 77.093 45.508 -24.869 1.00 0.00 C ATOM 1247 C LEU A 99 77.801 44.538 -25.833 1.00 0.00 C ATOM 1248 O LEU A 99 78.019 44.875 -26.998 1.00 0.00 O ATOM 1249 CB LEU A 99 75.617 45.747 -25.238 1.00 0.00 C ATOM 1250 CG LEU A 99 74.579 44.612 -25.158 1.00 0.00 C ATOM 1251 CD1 LEU A 99 74.719 43.668 -26.357 1.00 0.00 C ATOM 1252 CD2 LEU A 99 74.574 43.869 -23.823 1.00 0.00 C ATOM 0 H LEU A 99 77.886 47.139 -25.883 1.00 0.00 H new ATOM 0 HA LEU A 99 77.156 45.047 -23.883 1.00 0.00 H new ATOM 0 HB2 LEU A 99 75.256 46.553 -24.599 1.00 0.00 H new ATOM 0 HB3 LEU A 99 75.602 46.120 -26.262 1.00 0.00 H new ATOM 0 HG LEU A 99 73.597 45.083 -25.209 1.00 0.00 H new ATOM 0 HD11 LEU A 99 73.977 42.873 -26.283 1.00 0.00 H new ATOM 0 HD12 LEU A 99 74.561 44.226 -27.280 1.00 0.00 H new ATOM 0 HD13 LEU A 99 75.718 43.233 -26.363 1.00 0.00 H new ATOM 0 HD21 LEU A 99 73.817 43.086 -23.845 1.00 0.00 H new ATOM 0 HD22 LEU A 99 75.553 43.422 -23.652 1.00 0.00 H new ATOM 0 HD23 LEU A 99 74.349 44.569 -23.018 1.00 0.00 H new ATOM 1264 N ASP A 100 78.150 43.338 -25.360 1.00 0.00 N ATOM 1265 CA ASP A 100 78.771 42.278 -26.172 1.00 0.00 C ATOM 1266 C ASP A 100 78.266 40.890 -25.736 1.00 0.00 C ATOM 1267 O ASP A 100 78.151 40.620 -24.538 1.00 0.00 O ATOM 1268 CB ASP A 100 80.303 42.377 -26.074 1.00 0.00 C ATOM 1269 CG ASP A 100 81.007 41.584 -27.191 1.00 0.00 C ATOM 1270 OD1 ASP A 100 80.849 40.343 -27.250 1.00 0.00 O ATOM 1271 OD2 ASP A 100 81.717 42.210 -28.015 1.00 0.00 O ATOM 0 H ASP A 100 78.008 43.068 -24.387 1.00 0.00 H new ATOM 0 HA ASP A 100 78.485 42.414 -27.215 1.00 0.00 H new ATOM 0 HB2 ASP A 100 80.603 43.424 -26.129 1.00 0.00 H new ATOM 0 HB3 ASP A 100 80.629 42.003 -25.104 1.00 0.00 H new ATOM 1276 N MET A 101 77.938 40.023 -26.702 1.00 0.00 N ATOM 1277 CA MET A 101 77.384 38.679 -26.471 1.00 0.00 C ATOM 1278 C MET A 101 78.081 37.573 -27.296 1.00 0.00 C ATOM 1279 O MET A 101 77.543 36.470 -27.426 1.00 0.00 O ATOM 1280 CB MET A 101 75.865 38.694 -26.717 1.00 0.00 C ATOM 1281 CG MET A 101 75.105 39.647 -25.790 1.00 0.00 C ATOM 1282 SD MET A 101 73.324 39.637 -26.099 1.00 0.00 S ATOM 1283 CE MET A 101 72.775 40.851 -24.875 1.00 0.00 C ATOM 0 H MET A 101 78.053 40.240 -27.692 1.00 0.00 H new ATOM 0 HA MET A 101 77.580 38.425 -25.429 1.00 0.00 H new ATOM 0 HB2 MET A 101 75.675 38.979 -27.752 1.00 0.00 H new ATOM 0 HB3 MET A 101 75.474 37.685 -26.587 1.00 0.00 H new ATOM 0 HG2 MET A 101 75.292 39.367 -24.753 1.00 0.00 H new ATOM 0 HG3 MET A 101 75.488 40.659 -25.921 1.00 0.00 H new ATOM 0 HE1 MET A 101 71.865 40.495 -24.393 1.00 0.00 H new ATOM 0 HE2 MET A 101 73.553 40.989 -24.125 1.00 0.00 H new ATOM 0 HE3 MET A 101 72.576 41.802 -25.370 1.00 0.00 H new ATOM 1293 N SER A 102 79.264 37.843 -27.858 1.00 0.00 N ATOM 1294 CA SER A 102 80.088 36.822 -28.527 1.00 0.00 C ATOM 1295 C SER A 102 80.659 35.825 -27.509 1.00 0.00 C ATOM 1296 O SER A 102 80.853 36.164 -26.343 1.00 0.00 O ATOM 1297 CB SER A 102 81.218 37.476 -29.333 1.00 0.00 C ATOM 1298 OG SER A 102 80.681 38.246 -30.401 1.00 0.00 O ATOM 0 H SER A 102 79.680 38.774 -27.864 1.00 0.00 H new ATOM 0 HA SER A 102 79.448 36.274 -29.218 1.00 0.00 H new ATOM 0 HB2 SER A 102 81.817 38.113 -28.682 1.00 0.00 H new ATOM 0 HB3 SER A 102 81.884 36.708 -29.728 1.00 0.00 H new ATOM 0 HG SER A 102 81.412 38.659 -30.906 1.00 0.00 H new ATOM 1304 N ASP A 103 80.965 34.594 -27.928 1.00 0.00 N ATOM 1305 CA ASP A 103 81.285 33.486 -27.006 1.00 0.00 C ATOM 1306 C ASP A 103 82.461 33.789 -26.058 1.00 0.00 C ATOM 1307 O ASP A 103 82.416 33.432 -24.879 1.00 0.00 O ATOM 1308 CB ASP A 103 81.567 32.214 -27.814 1.00 0.00 C ATOM 1309 CG ASP A 103 80.346 31.772 -28.636 1.00 0.00 C ATOM 1310 OD1 ASP A 103 79.457 31.081 -28.082 1.00 0.00 O ATOM 1311 OD2 ASP A 103 80.274 32.115 -29.841 1.00 0.00 O ATOM 0 H ASP A 103 81.000 34.331 -28.913 1.00 0.00 H new ATOM 0 HA ASP A 103 80.414 33.346 -26.366 1.00 0.00 H new ATOM 0 HB2 ASP A 103 82.410 32.388 -28.482 1.00 0.00 H new ATOM 0 HB3 ASP A 103 81.858 31.411 -27.137 1.00 0.00 H new ATOM 1316 N LYS A 104 83.467 34.546 -26.526 1.00 0.00 N ATOM 1317 CA LYS A 104 84.614 34.979 -25.702 1.00 0.00 C ATOM 1318 C LYS A 104 84.201 35.857 -24.515 1.00 0.00 C ATOM 1319 O LYS A 104 84.794 35.728 -23.447 1.00 0.00 O ATOM 1320 CB LYS A 104 85.686 35.676 -26.569 1.00 0.00 C ATOM 1321 CG LYS A 104 86.702 34.703 -27.197 1.00 0.00 C ATOM 1322 CD LYS A 104 86.195 33.815 -28.347 1.00 0.00 C ATOM 1323 CE LYS A 104 85.918 34.631 -29.622 1.00 0.00 C ATOM 1324 NZ LYS A 104 85.600 33.751 -30.784 1.00 0.00 N ATOM 0 H LYS A 104 83.510 34.877 -27.490 1.00 0.00 H new ATOM 0 HA LYS A 104 85.049 34.075 -25.276 1.00 0.00 H new ATOM 0 HB2 LYS A 104 85.191 36.234 -27.364 1.00 0.00 H new ATOM 0 HB3 LYS A 104 86.221 36.401 -25.956 1.00 0.00 H new ATOM 0 HG2 LYS A 104 87.547 35.285 -27.565 1.00 0.00 H new ATOM 0 HG3 LYS A 104 87.082 34.053 -26.409 1.00 0.00 H new ATOM 0 HD2 LYS A 104 86.934 33.043 -28.563 1.00 0.00 H new ATOM 0 HD3 LYS A 104 85.283 33.305 -28.037 1.00 0.00 H new ATOM 0 HE2 LYS A 104 85.086 35.313 -29.444 1.00 0.00 H new ATOM 0 HE3 LYS A 104 86.788 35.244 -29.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 85.419 34.337 -31.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 86.404 33.118 -30.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 84.755 33.184 -30.569 1.00 0.00 H new ATOM 1338 N ALA A 105 83.149 36.672 -24.642 1.00 0.00 N ATOM 1339 CA ALA A 105 82.601 37.460 -23.530 1.00 0.00 C ATOM 1340 C ALA A 105 82.088 36.560 -22.396 1.00 0.00 C ATOM 1341 O ALA A 105 82.328 36.839 -21.220 1.00 0.00 O ATOM 1342 CB ALA A 105 81.508 38.399 -24.067 1.00 0.00 C ATOM 0 H ALA A 105 82.651 36.805 -25.522 1.00 0.00 H new ATOM 0 HA ALA A 105 83.396 38.066 -23.095 1.00 0.00 H new ATOM 0 HB1 ALA A 105 81.097 38.987 -23.246 1.00 0.00 H new ATOM 0 HB2 ALA A 105 81.937 39.068 -24.813 1.00 0.00 H new ATOM 0 HB3 ALA A 105 80.713 37.809 -24.524 1.00 0.00 H new ATOM 1348 N ILE A 106 81.445 35.446 -22.760 1.00 0.00 N ATOM 1349 CA ILE A 106 80.888 34.464 -21.824 1.00 0.00 C ATOM 1350 C ILE A 106 82.024 33.649 -21.204 1.00 0.00 C ATOM 1351 O ILE A 106 82.077 33.550 -19.984 1.00 0.00 O ATOM 1352 CB ILE A 106 79.808 33.605 -22.530 1.00 0.00 C ATOM 1353 CG1 ILE A 106 78.480 34.376 -22.703 1.00 0.00 C ATOM 1354 CG2 ILE A 106 79.483 32.310 -21.757 1.00 0.00 C ATOM 1355 CD1 ILE A 106 78.544 35.680 -23.512 1.00 0.00 C ATOM 0 H ILE A 106 81.294 35.196 -23.737 1.00 0.00 H new ATOM 0 HA ILE A 106 80.378 34.964 -21.000 1.00 0.00 H new ATOM 0 HB ILE A 106 80.237 33.359 -23.501 1.00 0.00 H new ATOM 0 HG12 ILE A 106 77.760 33.712 -23.182 1.00 0.00 H new ATOM 0 HG13 ILE A 106 78.089 34.608 -21.712 1.00 0.00 H new ATOM 0 HG21 ILE A 106 78.721 31.746 -22.295 1.00 0.00 H new ATOM 0 HG22 ILE A 106 80.385 31.705 -21.665 1.00 0.00 H new ATOM 0 HG23 ILE A 106 79.113 32.563 -20.763 1.00 0.00 H new ATOM 0 HD11 ILE A 106 77.551 36.126 -23.562 1.00 0.00 H new ATOM 0 HD12 ILE A 106 79.230 36.375 -23.028 1.00 0.00 H new ATOM 0 HD13 ILE A 106 78.896 35.465 -24.521 1.00 0.00 H new ATOM 1367 N PHE A 107 82.979 33.157 -21.999 1.00 0.00 N ATOM 1368 CA PHE A 107 84.157 32.437 -21.481 1.00 0.00 C ATOM 1369 C PHE A 107 84.933 33.257 -20.436 1.00 0.00 C ATOM 1370 O PHE A 107 85.320 32.738 -19.388 1.00 0.00 O ATOM 1371 CB PHE A 107 85.139 32.111 -22.619 1.00 0.00 C ATOM 1372 CG PHE A 107 84.650 31.332 -23.823 1.00 0.00 C ATOM 1373 CD1 PHE A 107 83.510 30.505 -23.778 1.00 0.00 C ATOM 1374 CD2 PHE A 107 85.402 31.421 -25.010 1.00 0.00 C ATOM 1375 CE1 PHE A 107 83.130 29.770 -24.916 1.00 0.00 C ATOM 1376 CE2 PHE A 107 85.022 30.687 -26.148 1.00 0.00 C ATOM 1377 CZ PHE A 107 83.888 29.856 -26.099 1.00 0.00 C ATOM 0 H PHE A 107 82.962 33.243 -23.015 1.00 0.00 H new ATOM 0 HA PHE A 107 83.771 31.529 -21.019 1.00 0.00 H new ATOM 0 HB2 PHE A 107 85.543 33.056 -22.983 1.00 0.00 H new ATOM 0 HB3 PHE A 107 85.970 31.555 -22.185 1.00 0.00 H new ATOM 0 HD1 PHE A 107 82.928 30.435 -22.871 1.00 0.00 H new ATOM 0 HD2 PHE A 107 86.275 32.056 -25.047 1.00 0.00 H new ATOM 0 HE1 PHE A 107 82.255 29.138 -24.882 1.00 0.00 H new ATOM 0 HE2 PHE A 107 85.600 30.761 -27.058 1.00 0.00 H new ATOM 0 HZ PHE A 107 83.599 29.284 -26.969 1.00 0.00 H new ATOM 1387 N ARG A 108 85.161 34.547 -20.729 1.00 0.00 N ATOM 1388 CA ARG A 108 85.986 35.456 -19.928 1.00 0.00 C ATOM 1389 C ARG A 108 85.261 35.936 -18.664 1.00 0.00 C ATOM 1390 O ARG A 108 85.879 35.990 -17.602 1.00 0.00 O ATOM 1391 CB ARG A 108 86.459 36.566 -20.885 1.00 0.00 C ATOM 1392 CG ARG A 108 87.693 37.354 -20.431 1.00 0.00 C ATOM 1393 CD ARG A 108 87.422 38.451 -19.392 1.00 0.00 C ATOM 1394 NE ARG A 108 88.647 39.231 -19.119 1.00 0.00 N ATOM 1395 CZ ARG A 108 88.787 40.213 -18.243 1.00 0.00 C ATOM 1396 NH1 ARG A 108 87.801 40.621 -17.492 1.00 0.00 N ATOM 1397 NH2 ARG A 108 89.935 40.809 -18.103 1.00 0.00 N ATOM 0 H ARG A 108 84.764 34.996 -21.554 1.00 0.00 H new ATOM 0 HA ARG A 108 86.863 34.958 -19.514 1.00 0.00 H new ATOM 0 HB2 ARG A 108 86.674 36.117 -21.855 1.00 0.00 H new ATOM 0 HB3 ARG A 108 85.637 37.267 -21.033 1.00 0.00 H new ATOM 0 HG2 ARG A 108 88.419 36.654 -20.016 1.00 0.00 H new ATOM 0 HG3 ARG A 108 88.155 37.811 -21.306 1.00 0.00 H new ATOM 0 HD2 ARG A 108 86.636 39.114 -19.754 1.00 0.00 H new ATOM 0 HD3 ARG A 108 87.059 38.001 -18.468 1.00 0.00 H new ATOM 0 HE ARG A 108 89.473 38.986 -19.664 1.00 0.00 H new ATOM 0 HH11 ARG A 108 86.885 40.180 -17.569 1.00 0.00 H new ATOM 0 HH12 ARG A 108 87.947 41.381 -16.828 1.00 0.00 H new ATOM 0 HH21 ARG A 108 90.732 40.520 -18.670 1.00 0.00 H new ATOM 0 HH22 ARG A 108 90.038 41.565 -17.426 1.00 0.00 H new ATOM 1411 N ARG A 109 83.946 36.206 -18.739 1.00 0.00 N ATOM 1412 CA ARG A 109 83.113 36.494 -17.546 1.00 0.00 C ATOM 1413 C ARG A 109 82.890 35.259 -16.662 1.00 0.00 C ATOM 1414 O ARG A 109 82.904 35.372 -15.437 1.00 0.00 O ATOM 1415 CB ARG A 109 81.756 37.070 -17.978 1.00 0.00 C ATOM 1416 CG ARG A 109 81.877 38.530 -18.433 1.00 0.00 C ATOM 1417 CD ARG A 109 80.582 39.002 -19.108 1.00 0.00 C ATOM 1418 NE ARG A 109 80.598 40.459 -19.365 1.00 0.00 N ATOM 1419 CZ ARG A 109 81.296 41.125 -20.269 1.00 0.00 C ATOM 1420 NH1 ARG A 109 82.126 40.534 -21.083 1.00 0.00 N ATOM 1421 NH2 ARG A 109 81.177 42.417 -20.367 1.00 0.00 N ATOM 0 H ARG A 109 83.429 36.232 -19.618 1.00 0.00 H new ATOM 0 HA ARG A 109 83.660 37.224 -16.949 1.00 0.00 H new ATOM 0 HB2 ARG A 109 81.348 36.469 -18.790 1.00 0.00 H new ATOM 0 HB3 ARG A 109 81.052 37.005 -17.148 1.00 0.00 H new ATOM 0 HG2 ARG A 109 82.097 39.165 -17.575 1.00 0.00 H new ATOM 0 HG3 ARG A 109 82.711 38.631 -19.127 1.00 0.00 H new ATOM 0 HD2 ARG A 109 80.447 38.468 -20.049 1.00 0.00 H new ATOM 0 HD3 ARG A 109 79.730 38.754 -18.475 1.00 0.00 H new ATOM 0 HE ARG A 109 79.993 41.022 -18.768 1.00 0.00 H new ATOM 0 HH11 ARG A 109 82.254 39.523 -21.035 1.00 0.00 H new ATOM 0 HH12 ARG A 109 82.647 41.083 -21.767 1.00 0.00 H new ATOM 0 HH21 ARG A 109 80.544 42.919 -19.745 1.00 0.00 H new ATOM 0 HH22 ARG A 109 81.717 42.927 -21.066 1.00 0.00 H new ATOM 1435 N TYR A 110 82.690 34.099 -17.288 1.00 0.00 N ATOM 1436 CA TYR A 110 82.170 32.878 -16.668 1.00 0.00 C ATOM 1437 C TYR A 110 83.059 31.662 -17.010 1.00 0.00 C ATOM 1438 O TYR A 110 82.749 30.896 -17.929 1.00 0.00 O ATOM 1439 CB TYR A 110 80.703 32.707 -17.106 1.00 0.00 C ATOM 1440 CG TYR A 110 79.831 33.927 -16.858 1.00 0.00 C ATOM 1441 CD1 TYR A 110 79.717 34.463 -15.561 1.00 0.00 C ATOM 1442 CD2 TYR A 110 79.184 34.558 -17.938 1.00 0.00 C ATOM 1443 CE1 TYR A 110 78.976 35.643 -15.355 1.00 0.00 C ATOM 1444 CE2 TYR A 110 78.423 35.726 -17.730 1.00 0.00 C ATOM 1445 CZ TYR A 110 78.320 36.274 -16.432 1.00 0.00 C ATOM 1446 OH TYR A 110 77.591 37.402 -16.210 1.00 0.00 O ATOM 0 H TYR A 110 82.894 33.979 -18.280 1.00 0.00 H new ATOM 0 HA TYR A 110 82.195 32.954 -15.581 1.00 0.00 H new ATOM 0 HB2 TYR A 110 80.679 32.467 -18.169 1.00 0.00 H new ATOM 0 HB3 TYR A 110 80.275 31.855 -16.577 1.00 0.00 H new ATOM 0 HD1 TYR A 110 80.196 33.971 -14.727 1.00 0.00 H new ATOM 0 HD2 TYR A 110 79.271 34.144 -18.932 1.00 0.00 H new ATOM 0 HE1 TYR A 110 78.910 36.068 -14.364 1.00 0.00 H new ATOM 0 HE2 TYR A 110 77.920 36.200 -18.560 1.00 0.00 H new ATOM 0 HH TYR A 110 77.204 37.713 -17.055 1.00 0.00 H new ATOM 1456 N PRO A 111 84.173 31.450 -16.275 1.00 0.00 N ATOM 1457 CA PRO A 111 85.183 30.433 -16.599 1.00 0.00 C ATOM 1458 C PRO A 111 84.714 28.978 -16.415 1.00 0.00 C ATOM 1459 O PRO A 111 85.440 28.053 -16.784 1.00 0.00 O ATOM 1460 CB PRO A 111 86.386 30.765 -15.709 1.00 0.00 C ATOM 1461 CG PRO A 111 85.758 31.452 -14.499 1.00 0.00 C ATOM 1462 CD PRO A 111 84.605 32.234 -15.123 1.00 0.00 C ATOM 0 HA PRO A 111 85.422 30.475 -17.662 1.00 0.00 H new ATOM 0 HB2 PRO A 111 86.932 29.867 -15.421 1.00 0.00 H new ATOM 0 HB3 PRO A 111 87.094 31.419 -16.219 1.00 0.00 H new ATOM 0 HG2 PRO A 111 85.407 30.731 -13.761 1.00 0.00 H new ATOM 0 HG3 PRO A 111 86.466 32.108 -13.992 1.00 0.00 H new ATOM 0 HD2 PRO A 111 83.790 32.365 -14.411 1.00 0.00 H new ATOM 0 HD3 PRO A 111 84.927 33.230 -15.426 1.00 0.00 H new ATOM 1470 N HIS A 112 83.510 28.758 -15.880 1.00 0.00 N ATOM 1471 CA HIS A 112 82.840 27.453 -15.814 1.00 0.00 C ATOM 1472 C HIS A 112 82.015 27.113 -17.071 1.00 0.00 C ATOM 1473 O HIS A 112 81.724 25.939 -17.313 1.00 0.00 O ATOM 1474 CB HIS A 112 81.954 27.436 -14.562 1.00 0.00 C ATOM 1475 CG HIS A 112 80.701 28.280 -14.657 1.00 0.00 C ATOM 1476 ND1 HIS A 112 80.629 29.626 -15.042 1.00 0.00 N ATOM 1477 CD2 HIS A 112 79.444 27.829 -14.389 1.00 0.00 C ATOM 1478 CE1 HIS A 112 79.326 29.954 -14.971 1.00 0.00 C ATOM 1479 NE2 HIS A 112 78.604 28.903 -14.565 1.00 0.00 N ATOM 0 H HIS A 112 82.955 29.507 -15.467 1.00 0.00 H new ATOM 0 HA HIS A 112 83.610 26.683 -15.762 1.00 0.00 H new ATOM 0 HB2 HIS A 112 81.666 26.406 -14.353 1.00 0.00 H new ATOM 0 HB3 HIS A 112 82.544 27.781 -13.713 1.00 0.00 H new ATOM 0 HD2 HIS A 112 79.163 26.828 -14.097 1.00 0.00 H new ATOM 0 HE1 HIS A 112 78.921 30.927 -15.208 1.00 0.00 H new ATOM 0 HE2 HIS A 112 77.596 28.899 -14.411 1.00 0.00 H new ATOM 1487 N LEU A 113 81.636 28.122 -17.868 1.00 0.00 N ATOM 1488 CA LEU A 113 80.719 28.020 -19.003 1.00 0.00 C ATOM 1489 C LEU A 113 81.430 27.766 -20.357 1.00 0.00 C ATOM 1490 O LEU A 113 80.786 27.385 -21.339 1.00 0.00 O ATOM 1491 CB LEU A 113 79.879 29.321 -18.993 1.00 0.00 C ATOM 1492 CG LEU A 113 78.360 29.163 -19.155 1.00 0.00 C ATOM 1493 CD1 LEU A 113 78.017 28.548 -20.504 1.00 0.00 C ATOM 1494 CD2 LEU A 113 77.726 28.328 -18.049 1.00 0.00 C ATOM 0 H LEU A 113 81.978 29.073 -17.729 1.00 0.00 H new ATOM 0 HA LEU A 113 80.081 27.143 -18.896 1.00 0.00 H new ATOM 0 HB2 LEU A 113 80.069 29.841 -18.054 1.00 0.00 H new ATOM 0 HB3 LEU A 113 80.241 29.966 -19.794 1.00 0.00 H new ATOM 0 HG LEU A 113 77.948 30.170 -19.089 1.00 0.00 H new ATOM 0 HD11 LEU A 113 76.935 28.447 -20.593 1.00 0.00 H new ATOM 0 HD12 LEU A 113 78.389 29.191 -21.302 1.00 0.00 H new ATOM 0 HD13 LEU A 113 78.481 27.565 -20.584 1.00 0.00 H new ATOM 0 HD21 LEU A 113 76.652 28.253 -18.220 1.00 0.00 H new ATOM 0 HD22 LEU A 113 78.164 27.330 -18.050 1.00 0.00 H new ATOM 0 HD23 LEU A 113 77.908 28.803 -17.085 1.00 0.00 H new ATOM 1506 N ARG A 114 82.755 27.954 -20.409 1.00 0.00 N ATOM 1507 CA ARG A 114 83.618 27.629 -21.564 1.00 0.00 C ATOM 1508 C ARG A 114 83.668 26.123 -21.890 1.00 0.00 C ATOM 1509 O ARG A 114 83.811 25.785 -23.088 1.00 0.00 O ATOM 1510 CB ARG A 114 85.024 28.225 -21.361 1.00 0.00 C ATOM 1511 CG ARG A 114 85.785 27.582 -20.190 1.00 0.00 C ATOM 1512 CD ARG A 114 87.090 28.316 -19.868 1.00 0.00 C ATOM 1513 NE ARG A 114 87.656 27.806 -18.606 1.00 0.00 N ATOM 1514 CZ ARG A 114 88.890 27.410 -18.360 1.00 0.00 C ATOM 1515 NH1 ARG A 114 89.833 27.451 -19.257 1.00 0.00 N ATOM 1516 NH2 ARG A 114 89.201 26.954 -17.182 1.00 0.00 N ATOM 1517 OXT ARG A 114 83.576 25.279 -20.966 1.00 0.00 O ATOM 0 H ARG A 114 83.277 28.349 -19.627 1.00 0.00 H new ATOM 0 HA ARG A 114 83.166 28.092 -22.442 1.00 0.00 H new ATOM 0 HB2 ARG A 114 85.602 28.098 -22.276 1.00 0.00 H new ATOM 0 HB3 ARG A 114 84.936 29.297 -21.185 1.00 0.00 H new ATOM 0 HG2 ARG A 114 85.147 27.575 -19.306 1.00 0.00 H new ATOM 0 HG3 ARG A 114 86.006 26.542 -20.431 1.00 0.00 H new ATOM 0 HD2 ARG A 114 87.805 28.177 -20.679 1.00 0.00 H new ATOM 0 HD3 ARG A 114 86.904 29.387 -19.786 1.00 0.00 H new ATOM 0 HE ARG A 114 87.008 27.752 -17.820 1.00 0.00 H new ATOM 0 HH11 ARG A 114 89.631 27.800 -20.194 1.00 0.00 H new ATOM 0 HH12 ARG A 114 90.774 27.134 -19.023 1.00 0.00 H new ATOM 0 HH21 ARG A 114 88.491 26.903 -16.451 1.00 0.00 H new ATOM 0 HH22 ARG A 114 90.154 26.647 -16.989 1.00 0.00 H new TER 1531 ARG A 114