USER MOD reduce.3.24.130724 H: found=0, std=0, add=794, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 792 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 77 THR OG1 : rot 180:sc= 0.00138 USER MOD Set 1.2: A 100 THR OG1 : rot -61:sc= 0.00148 USER MOD Set 2.1: A 6 SER OG : rot 83:sc= 1.16 USER MOD Set 2.2: A 88 MET CE :methyl -168:sc= -4.16! (180deg=-4.47!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 19:sc= 0.0591 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 12 CYS SG : rot -130:sc= -1.12 USER MOD Single : A 18 GLN : amide:sc= -0.0323 K(o=-0.032,f=-0.56) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.0213 X(o=-0.021,f=0) USER MOD Single : A 39 SER OG : rot 160:sc= -0.748 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 CYS SG : rot 26:sc= -2.27 USER MOD Single : A 44 TYR OH : rot 180:sc= -0.605 USER MOD Single : A 45 SER OG : rot 150:sc= 0.0611 USER MOD Single : A 48 MET CE :methyl -134:sc= -0.418 (180deg=-3.27!) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 69:sc= -0.603 USER MOD Single : A 61 GLN :FLIP amide:sc= -0.0374 F(o=-0.58,f=-0.037) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 CYS SG : rot -68:sc= 0.441 USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.956 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot -55:sc= 0.00431 USER MOD Single : A 76 LYS NZ :NH3+ -112:sc= -1.34 (180deg=-3.76!) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot -42:sc= 1.13 USER MOD Single : A 86 ASN : amide:sc= -0.387 K(o=-0.39,f=-12!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot 80:sc= -0.29 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 CYS SG : rot 6:sc= -0.317 USER MOD Single : A 101 THR OG1 : rot -151:sc= 1.05 USER MOD Single : A 105 SER OG : rot 111:sc= 0.00627 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 18.684 25.252 -8.745 1.00 0.00 N ATOM 2 CA GLY A 1 18.300 25.728 -7.429 1.00 0.00 C ATOM 3 C GLY A 1 19.034 25.007 -6.315 1.00 0.00 C ATOM 4 O GLY A 1 18.763 23.839 -6.038 1.00 0.00 O ATOM 0 H1 GLY A 1 18.155 25.776 -9.471 1.00 0.00 H new ATOM 0 H2 GLY A 1 19.704 25.401 -8.884 1.00 0.00 H new ATOM 0 H3 GLY A 1 18.469 24.238 -8.824 1.00 0.00 H new ATOM 0 HA2 GLY A 1 18.501 26.797 -7.360 1.00 0.00 H new ATOM 0 HA3 GLY A 1 17.226 25.596 -7.297 1.00 0.00 H new ATOM 8 N SER A 2 19.968 25.705 -5.676 1.00 0.00 N ATOM 9 CA SER A 2 20.748 25.123 -4.590 1.00 0.00 C ATOM 10 C SER A 2 19.925 25.055 -3.307 1.00 0.00 C ATOM 11 O SER A 2 20.047 25.913 -2.433 1.00 0.00 O ATOM 12 CB SER A 2 22.019 25.940 -4.352 1.00 0.00 C ATOM 13 OG SER A 2 22.856 25.925 -5.495 1.00 0.00 O ATOM 0 H SER A 2 20.203 26.674 -5.892 1.00 0.00 H new ATOM 0 HA SER A 2 21.026 24.109 -4.877 1.00 0.00 H new ATOM 0 HB2 SER A 2 21.753 26.968 -4.105 1.00 0.00 H new ATOM 0 HB3 SER A 2 22.560 25.536 -3.496 1.00 0.00 H new ATOM 0 HG SER A 2 23.661 26.456 -5.318 1.00 0.00 H new ATOM 19 N SER A 3 19.089 24.027 -3.201 1.00 0.00 N ATOM 20 CA SER A 3 18.243 23.848 -2.027 1.00 0.00 C ATOM 21 C SER A 3 19.061 23.967 -0.745 1.00 0.00 C ATOM 22 O SER A 3 20.136 23.381 -0.624 1.00 0.00 O ATOM 23 CB SER A 3 17.547 22.486 -2.077 1.00 0.00 C ATOM 24 OG SER A 3 18.491 21.430 -2.055 1.00 0.00 O ATOM 0 H SER A 3 18.980 23.306 -3.914 1.00 0.00 H new ATOM 0 HA SER A 3 17.488 24.634 -2.030 1.00 0.00 H new ATOM 0 HB2 SER A 3 16.869 22.389 -1.229 1.00 0.00 H new ATOM 0 HB3 SER A 3 16.940 22.417 -2.980 1.00 0.00 H new ATOM 0 HG SER A 3 19.346 21.763 -1.711 1.00 0.00 H new ATOM 30 N GLY A 4 18.543 24.732 0.211 1.00 0.00 N ATOM 31 CA GLY A 4 19.237 24.916 1.472 1.00 0.00 C ATOM 32 C GLY A 4 18.619 24.110 2.598 1.00 0.00 C ATOM 33 O GLY A 4 19.269 23.241 3.178 1.00 0.00 O ATOM 0 H GLY A 4 17.655 25.228 0.135 1.00 0.00 H new ATOM 0 HA2 GLY A 4 20.281 24.627 1.354 1.00 0.00 H new ATOM 0 HA3 GLY A 4 19.227 25.973 1.738 1.00 0.00 H new ATOM 37 N SER A 5 17.359 24.401 2.908 1.00 0.00 N ATOM 38 CA SER A 5 16.654 23.701 3.976 1.00 0.00 C ATOM 39 C SER A 5 15.601 22.757 3.403 1.00 0.00 C ATOM 40 O SER A 5 14.507 23.183 3.031 1.00 0.00 O ATOM 41 CB SER A 5 15.996 24.704 4.924 1.00 0.00 C ATOM 42 OG SER A 5 16.966 25.386 5.699 1.00 0.00 O ATOM 0 H SER A 5 16.806 25.116 2.435 1.00 0.00 H new ATOM 0 HA SER A 5 17.381 23.110 4.533 1.00 0.00 H new ATOM 0 HB2 SER A 5 15.414 25.424 4.349 1.00 0.00 H new ATOM 0 HB3 SER A 5 15.300 24.184 5.582 1.00 0.00 H new ATOM 0 HG SER A 5 16.520 26.023 6.296 1.00 0.00 H new ATOM 48 N SER A 6 15.938 21.474 3.336 1.00 0.00 N ATOM 49 CA SER A 6 15.024 20.469 2.806 1.00 0.00 C ATOM 50 C SER A 6 14.274 19.767 3.934 1.00 0.00 C ATOM 51 O SER A 6 14.571 19.968 5.111 1.00 0.00 O ATOM 52 CB SER A 6 15.790 19.441 1.971 1.00 0.00 C ATOM 53 OG SER A 6 16.709 18.717 2.771 1.00 0.00 O ATOM 0 H SER A 6 16.838 21.105 3.642 1.00 0.00 H new ATOM 0 HA SER A 6 14.298 20.975 2.170 1.00 0.00 H new ATOM 0 HB2 SER A 6 15.087 18.751 1.504 1.00 0.00 H new ATOM 0 HB3 SER A 6 16.323 19.946 1.166 1.00 0.00 H new ATOM 0 HG SER A 6 16.241 17.987 3.228 1.00 0.00 H new ATOM 59 N GLY A 7 13.299 18.942 3.565 1.00 0.00 N ATOM 60 CA GLY A 7 12.521 18.223 4.556 1.00 0.00 C ATOM 61 C GLY A 7 11.764 17.052 3.961 1.00 0.00 C ATOM 62 O GLY A 7 12.033 16.615 2.842 1.00 0.00 O ATOM 0 H GLY A 7 13.034 18.759 2.597 1.00 0.00 H new ATOM 0 HA2 GLY A 7 13.184 17.861 5.342 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.815 18.908 5.025 1.00 0.00 H new ATOM 66 N PRO A 8 10.793 16.523 4.720 1.00 0.00 N ATOM 67 CA PRO A 8 9.976 15.387 4.281 1.00 0.00 C ATOM 68 C PRO A 8 9.023 15.761 3.151 1.00 0.00 C ATOM 69 O PRO A 8 8.622 16.915 3.001 1.00 0.00 O ATOM 70 CB PRO A 8 9.190 15.009 5.540 1.00 0.00 C ATOM 71 CG PRO A 8 9.131 16.264 6.341 1.00 0.00 C ATOM 72 CD PRO A 8 10.417 16.992 6.064 1.00 0.00 C ATOM 0 HA PRO A 8 10.585 14.576 3.882 1.00 0.00 H new ATOM 0 HB2 PRO A 8 8.191 14.651 5.291 1.00 0.00 H new ATOM 0 HB3 PRO A 8 9.686 14.210 6.091 1.00 0.00 H new ATOM 0 HG2 PRO A 8 8.271 16.869 6.056 1.00 0.00 H new ATOM 0 HG3 PRO A 8 9.028 16.044 7.404 1.00 0.00 H new ATOM 0 HD2 PRO A 8 10.280 18.073 6.088 1.00 0.00 H new ATOM 0 HD3 PRO A 8 11.182 16.751 6.802 1.00 0.00 H new ATOM 80 N PRO A 9 8.651 14.763 2.335 1.00 0.00 N ATOM 81 CA PRO A 9 7.741 14.963 1.204 1.00 0.00 C ATOM 82 C PRO A 9 6.314 15.258 1.654 1.00 0.00 C ATOM 83 O PRO A 9 5.859 14.755 2.680 1.00 0.00 O ATOM 84 CB PRO A 9 7.801 13.626 0.460 1.00 0.00 C ATOM 85 CG PRO A 9 8.190 12.632 1.499 1.00 0.00 C ATOM 86 CD PRO A 9 9.091 13.363 2.455 1.00 0.00 C ATOM 0 HA PRO A 9 8.030 15.819 0.595 1.00 0.00 H new ATOM 0 HB2 PRO A 9 6.838 13.377 0.015 1.00 0.00 H new ATOM 0 HB3 PRO A 9 8.529 13.656 -0.351 1.00 0.00 H new ATOM 0 HG2 PRO A 9 7.312 12.240 2.012 1.00 0.00 H new ATOM 0 HG3 PRO A 9 8.704 11.781 1.052 1.00 0.00 H new ATOM 0 HD2 PRO A 9 8.980 12.993 3.474 1.00 0.00 H new ATOM 0 HD3 PRO A 9 10.141 13.247 2.186 1.00 0.00 H new ATOM 94 N GLY A 10 5.611 16.078 0.878 1.00 0.00 N ATOM 95 CA GLY A 10 4.243 16.426 1.213 1.00 0.00 C ATOM 96 C GLY A 10 3.312 15.230 1.164 1.00 0.00 C ATOM 97 O GLY A 10 3.742 14.088 1.003 1.00 0.00 O ATOM 0 H GLY A 10 5.965 16.507 0.023 1.00 0.00 H new ATOM 0 HA2 GLY A 10 4.216 16.863 2.211 1.00 0.00 H new ATOM 0 HA3 GLY A 10 3.886 17.189 0.522 1.00 0.00 H new ATOM 101 N PRO A 11 2.003 15.488 1.307 1.00 0.00 N ATOM 102 CA PRO A 11 0.982 14.436 1.282 1.00 0.00 C ATOM 103 C PRO A 11 0.811 13.827 -0.105 1.00 0.00 C ATOM 104 O PRO A 11 0.342 14.490 -1.031 1.00 0.00 O ATOM 105 CB PRO A 11 -0.293 15.170 1.705 1.00 0.00 C ATOM 106 CG PRO A 11 -0.055 16.591 1.327 1.00 0.00 C ATOM 107 CD PRO A 11 1.420 16.826 1.502 1.00 0.00 C ATOM 0 HA PRO A 11 1.243 13.599 1.929 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.169 14.767 1.197 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -0.471 15.070 2.776 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -0.360 16.777 0.297 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -0.635 17.265 1.958 1.00 0.00 H new ATOM 0 HD2 PRO A 11 1.802 17.541 0.774 1.00 0.00 H new ATOM 0 HD3 PRO A 11 1.649 17.224 2.490 1.00 0.00 H new ATOM 115 N CYS A 12 1.193 12.562 -0.241 1.00 0.00 N ATOM 116 CA CYS A 12 1.082 11.863 -1.517 1.00 0.00 C ATOM 117 C CYS A 12 -0.376 11.558 -1.844 1.00 0.00 C ATOM 118 O CYS A 12 -1.264 11.755 -1.014 1.00 0.00 O ATOM 119 CB CYS A 12 1.892 10.566 -1.483 1.00 0.00 C ATOM 120 SG CYS A 12 3.631 10.793 -1.045 1.00 0.00 S ATOM 0 H CYS A 12 1.582 12.000 0.516 1.00 0.00 H new ATOM 0 HA CYS A 12 1.482 12.512 -2.296 1.00 0.00 H new ATOM 0 HB2 CYS A 12 1.434 9.883 -0.767 1.00 0.00 H new ATOM 0 HB3 CYS A 12 1.834 10.088 -2.461 1.00 0.00 H new ATOM 0 HG CYS A 12 4.381 10.180 -1.912 1.00 0.00 H new ATOM 126 N LEU A 13 -0.616 11.079 -3.059 1.00 0.00 N ATOM 127 CA LEU A 13 -1.967 10.748 -3.498 1.00 0.00 C ATOM 128 C LEU A 13 -2.324 9.312 -3.129 1.00 0.00 C ATOM 129 O LEU A 13 -1.455 8.469 -2.904 1.00 0.00 O ATOM 130 CB LEU A 13 -2.096 10.945 -5.010 1.00 0.00 C ATOM 131 CG LEU A 13 -2.359 12.376 -5.480 1.00 0.00 C ATOM 132 CD1 LEU A 13 -2.118 12.498 -6.977 1.00 0.00 C ATOM 133 CD2 LEU A 13 -3.778 12.800 -5.130 1.00 0.00 C ATOM 0 H LEU A 13 0.107 10.911 -3.758 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.661 11.417 -2.990 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.179 10.592 -5.482 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.905 10.311 -5.371 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.665 13.041 -4.965 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.310 13.523 -7.294 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.084 12.236 -7.202 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.787 11.822 -7.510 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.947 13.821 -5.472 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.488 12.132 -5.617 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.916 12.751 -4.050 1.00 0.00 H new ATOM 145 N PRO A 14 -3.632 9.024 -3.066 1.00 0.00 N ATOM 146 CA PRO A 14 -4.134 7.689 -2.727 1.00 0.00 C ATOM 147 C PRO A 14 -3.863 6.670 -3.829 1.00 0.00 C ATOM 148 O PRO A 14 -3.973 6.964 -5.020 1.00 0.00 O ATOM 149 CB PRO A 14 -5.639 7.907 -2.559 1.00 0.00 C ATOM 150 CG PRO A 14 -5.944 9.104 -3.393 1.00 0.00 C ATOM 151 CD PRO A 14 -4.723 9.979 -3.321 1.00 0.00 C ATOM 0 HA PRO A 14 -3.647 7.284 -1.840 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -6.205 7.037 -2.893 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -5.900 8.075 -1.514 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -6.159 8.818 -4.423 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -6.823 9.628 -3.017 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -4.567 10.528 -4.250 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -4.805 10.718 -2.524 1.00 0.00 H new ATOM 159 N PRO A 15 -3.500 5.443 -3.426 1.00 0.00 N ATOM 160 CA PRO A 15 -3.207 4.356 -4.365 1.00 0.00 C ATOM 161 C PRO A 15 -4.457 3.858 -5.084 1.00 0.00 C ATOM 162 O PRO A 15 -5.427 3.446 -4.448 1.00 0.00 O ATOM 163 CB PRO A 15 -2.633 3.258 -3.468 1.00 0.00 C ATOM 164 CG PRO A 15 -3.209 3.529 -2.121 1.00 0.00 C ATOM 165 CD PRO A 15 -3.349 5.023 -2.023 1.00 0.00 C ATOM 0 HA PRO A 15 -2.531 4.674 -5.159 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -2.913 2.267 -3.826 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -1.544 3.293 -3.447 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -4.175 3.038 -2.004 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -2.559 3.146 -1.334 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -4.213 5.307 -1.423 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.475 5.479 -1.559 1.00 0.00 H new ATOM 173 N ARG A 16 -4.426 3.899 -6.412 1.00 0.00 N ATOM 174 CA ARG A 16 -5.557 3.453 -7.216 1.00 0.00 C ATOM 175 C ARG A 16 -5.635 1.929 -7.246 1.00 0.00 C ATOM 176 O ARG A 16 -4.614 1.243 -7.179 1.00 0.00 O ATOM 177 CB ARG A 16 -5.442 3.996 -8.642 1.00 0.00 C ATOM 178 CG ARG A 16 -4.427 3.254 -9.496 1.00 0.00 C ATOM 179 CD ARG A 16 -4.838 3.237 -10.960 1.00 0.00 C ATOM 180 NE ARG A 16 -4.290 4.373 -11.696 1.00 0.00 N ATOM 181 CZ ARG A 16 -4.301 4.466 -13.021 1.00 0.00 C ATOM 182 NH1 ARG A 16 -4.831 3.495 -13.752 1.00 0.00 N ATOM 183 NH2 ARG A 16 -3.782 5.532 -13.617 1.00 0.00 N ATOM 0 H ARG A 16 -3.630 4.236 -6.954 1.00 0.00 H new ATOM 0 HA ARG A 16 -6.469 3.838 -6.760 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -6.419 3.940 -9.123 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -5.167 5.050 -8.599 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -3.450 3.728 -9.397 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -4.324 2.231 -9.134 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -4.499 2.309 -11.421 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -5.926 3.250 -11.031 1.00 0.00 H new ATOM 0 HE ARG A 16 -3.876 5.138 -11.163 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -5.231 2.675 -13.297 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -4.838 3.568 -14.769 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -3.374 6.281 -13.058 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -3.791 5.602 -14.635 1.00 0.00 H new ATOM 197 N LEU A 17 -6.852 1.406 -7.345 1.00 0.00 N ATOM 198 CA LEU A 17 -7.064 -0.037 -7.382 1.00 0.00 C ATOM 199 C LEU A 17 -6.540 -0.630 -8.686 1.00 0.00 C ATOM 200 O LEU A 17 -7.058 -0.339 -9.764 1.00 0.00 O ATOM 201 CB LEU A 17 -8.551 -0.358 -7.224 1.00 0.00 C ATOM 202 CG LEU A 17 -8.916 -1.842 -7.169 1.00 0.00 C ATOM 203 CD1 LEU A 17 -8.090 -2.555 -6.109 1.00 0.00 C ATOM 204 CD2 LEU A 17 -10.402 -2.016 -6.895 1.00 0.00 C ATOM 0 H LEU A 17 -7.707 1.959 -7.401 1.00 0.00 H new ATOM 0 HA LEU A 17 -6.513 -0.482 -6.554 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -8.910 0.118 -6.311 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -9.091 0.098 -8.054 1.00 0.00 H new ATOM 0 HG LEU A 17 -8.691 -2.288 -8.138 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -8.363 -3.610 -6.084 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -7.031 -2.460 -6.348 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -8.284 -2.107 -5.134 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -10.643 -3.078 -6.859 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -10.652 -1.555 -5.940 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -10.977 -1.540 -7.689 1.00 0.00 H new ATOM 216 N GLN A 18 -5.512 -1.465 -8.579 1.00 0.00 N ATOM 217 CA GLN A 18 -4.919 -2.101 -9.750 1.00 0.00 C ATOM 218 C GLN A 18 -5.813 -3.221 -10.272 1.00 0.00 C ATOM 219 O GLN A 18 -6.192 -4.124 -9.527 1.00 0.00 O ATOM 220 CB GLN A 18 -3.534 -2.654 -9.410 1.00 0.00 C ATOM 221 CG GLN A 18 -2.580 -2.674 -10.593 1.00 0.00 C ATOM 222 CD GLN A 18 -1.453 -3.672 -10.417 1.00 0.00 C ATOM 223 OE1 GLN A 18 -1.681 -4.828 -10.059 1.00 0.00 O ATOM 224 NE2 GLN A 18 -0.226 -3.230 -10.668 1.00 0.00 N ATOM 0 H GLN A 18 -5.072 -1.717 -7.694 1.00 0.00 H new ATOM 0 HA GLN A 18 -4.819 -1.347 -10.531 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -3.098 -2.053 -8.612 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -3.641 -3.667 -9.023 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -3.136 -2.915 -11.499 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -2.160 -1.678 -10.733 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -0.082 -2.264 -10.962 1.00 0.00 H new ATOM 0 HE22 GLN A 18 0.572 -3.856 -10.566 1.00 0.00 H new ATOM 233 N GLY A 19 -6.146 -3.156 -11.557 1.00 0.00 N ATOM 234 CA GLY A 19 -6.993 -4.170 -12.157 1.00 0.00 C ATOM 235 C GLY A 19 -8.233 -4.452 -11.332 1.00 0.00 C ATOM 236 O GLY A 19 -9.144 -3.627 -11.268 1.00 0.00 O ATOM 0 H GLY A 19 -5.844 -2.419 -12.194 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -7.290 -3.847 -13.155 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -6.423 -5.091 -12.277 1.00 0.00 H new ATOM 240 N ARG A 20 -8.269 -5.620 -10.700 1.00 0.00 N ATOM 241 CA ARG A 20 -9.408 -6.009 -9.878 1.00 0.00 C ATOM 242 C ARG A 20 -8.944 -6.590 -8.545 1.00 0.00 C ATOM 243 O ARG A 20 -7.984 -7.358 -8.475 1.00 0.00 O ATOM 244 CB ARG A 20 -10.273 -7.031 -10.618 1.00 0.00 C ATOM 245 CG ARG A 20 -11.053 -6.441 -11.781 1.00 0.00 C ATOM 246 CD ARG A 20 -12.301 -5.714 -11.303 1.00 0.00 C ATOM 247 NE ARG A 20 -13.276 -5.537 -12.376 1.00 0.00 N ATOM 248 CZ ARG A 20 -13.162 -4.617 -13.328 1.00 0.00 C ATOM 249 NH1 ARG A 20 -12.121 -3.795 -13.339 1.00 0.00 N ATOM 250 NH2 ARG A 20 -14.090 -4.517 -14.270 1.00 0.00 N ATOM 0 H ARG A 20 -7.522 -6.314 -10.741 1.00 0.00 H new ATOM 0 HA ARG A 20 -10.002 -5.117 -9.679 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -9.635 -7.833 -10.989 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -10.973 -7.480 -9.913 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -10.417 -5.750 -12.334 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -11.335 -7.236 -12.472 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -12.757 -6.275 -10.487 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -12.022 -4.739 -10.902 1.00 0.00 H new ATOM 0 HE ARG A 20 -14.089 -6.153 -12.396 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -11.406 -3.868 -12.616 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -12.036 -3.090 -14.071 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -14.892 -5.147 -14.264 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -14.001 -3.810 -15.000 1.00 0.00 H new ATOM 264 N PRO A 21 -9.640 -6.215 -7.461 1.00 0.00 N ATOM 265 CA PRO A 21 -9.317 -6.686 -6.111 1.00 0.00 C ATOM 266 C PRO A 21 -9.633 -8.166 -5.923 1.00 0.00 C ATOM 267 O PRO A 21 -10.352 -8.765 -6.724 1.00 0.00 O ATOM 268 CB PRO A 21 -10.213 -5.830 -5.213 1.00 0.00 C ATOM 269 CG PRO A 21 -11.357 -5.437 -6.082 1.00 0.00 C ATOM 270 CD PRO A 21 -10.795 -5.302 -7.471 1.00 0.00 C ATOM 0 HA PRO A 21 -8.254 -6.592 -5.890 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -10.552 -6.391 -4.342 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -9.680 -4.955 -4.841 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -12.146 -6.188 -6.052 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -11.798 -4.498 -5.746 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -11.525 -5.585 -8.229 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -10.495 -4.276 -7.685 1.00 0.00 H new ATOM 278 N LYS A 22 -9.093 -8.751 -4.860 1.00 0.00 N ATOM 279 CA LYS A 22 -9.318 -10.161 -4.564 1.00 0.00 C ATOM 280 C LYS A 22 -10.176 -10.325 -3.313 1.00 0.00 C ATOM 281 O LYS A 22 -10.578 -9.341 -2.693 1.00 0.00 O ATOM 282 CB LYS A 22 -7.982 -10.884 -4.378 1.00 0.00 C ATOM 283 CG LYS A 22 -7.016 -10.683 -5.532 1.00 0.00 C ATOM 284 CD LYS A 22 -7.242 -11.704 -6.634 1.00 0.00 C ATOM 285 CE LYS A 22 -5.989 -11.909 -7.470 1.00 0.00 C ATOM 286 NZ LYS A 22 -5.702 -10.733 -8.338 1.00 0.00 N ATOM 0 H LYS A 22 -8.495 -8.270 -4.188 1.00 0.00 H new ATOM 0 HA LYS A 22 -9.849 -10.603 -5.407 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -7.514 -10.534 -3.458 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -8.170 -11.951 -4.254 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -7.135 -9.678 -5.936 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -5.992 -10.761 -5.168 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -7.547 -12.654 -6.194 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -8.059 -11.373 -7.276 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -5.139 -12.091 -6.812 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -6.108 -12.798 -8.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -4.840 -10.912 -8.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -6.502 -10.575 -8.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -5.563 -9.890 -7.745 1.00 0.00 H new ATOM 300 N ALA A 23 -10.450 -11.573 -2.948 1.00 0.00 N ATOM 301 CA ALA A 23 -11.256 -11.864 -1.770 1.00 0.00 C ATOM 302 C ALA A 23 -10.523 -11.472 -0.492 1.00 0.00 C ATOM 303 O ALA A 23 -11.092 -10.831 0.392 1.00 0.00 O ATOM 304 CB ALA A 23 -11.628 -13.339 -1.736 1.00 0.00 C ATOM 0 H ALA A 23 -10.125 -12.398 -3.452 1.00 0.00 H new ATOM 0 HA ALA A 23 -12.169 -11.271 -1.830 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -12.230 -13.542 -0.850 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -12.200 -13.591 -2.629 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -10.721 -13.942 -1.704 1.00 0.00 H new ATOM 310 N LYS A 24 -9.256 -11.862 -0.399 1.00 0.00 N ATOM 311 CA LYS A 24 -8.442 -11.551 0.770 1.00 0.00 C ATOM 312 C LYS A 24 -7.164 -10.824 0.367 1.00 0.00 C ATOM 313 O LYS A 24 -6.228 -10.711 1.157 1.00 0.00 O ATOM 314 CB LYS A 24 -8.095 -12.833 1.531 1.00 0.00 C ATOM 315 CG LYS A 24 -9.312 -13.624 1.978 1.00 0.00 C ATOM 316 CD LYS A 24 -8.979 -14.552 3.135 1.00 0.00 C ATOM 317 CE LYS A 24 -10.195 -14.807 4.012 1.00 0.00 C ATOM 318 NZ LYS A 24 -10.147 -16.152 4.649 1.00 0.00 N ATOM 0 H LYS A 24 -8.770 -12.395 -1.120 1.00 0.00 H new ATOM 0 HA LYS A 24 -9.021 -10.895 1.420 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -7.474 -13.465 0.896 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -7.498 -12.576 2.406 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -10.104 -12.937 2.277 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.696 -14.207 1.141 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -8.604 -15.499 2.747 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -8.181 -14.115 3.735 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -10.252 -14.041 4.785 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -11.100 -14.722 3.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -10.993 -16.287 5.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -10.118 -16.885 3.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -9.296 -16.225 5.243 1.00 0.00 H new ATOM 332 N GLU A 25 -7.133 -10.332 -0.868 1.00 0.00 N ATOM 333 CA GLU A 25 -5.968 -9.616 -1.375 1.00 0.00 C ATOM 334 C GLU A 25 -6.392 -8.442 -2.253 1.00 0.00 C ATOM 335 O GLU A 25 -7.498 -8.425 -2.794 1.00 0.00 O ATOM 336 CB GLU A 25 -5.066 -10.561 -2.170 1.00 0.00 C ATOM 337 CG GLU A 25 -4.458 -11.672 -1.329 1.00 0.00 C ATOM 338 CD GLU A 25 -4.091 -12.892 -2.152 1.00 0.00 C ATOM 339 OE1 GLU A 25 -5.012 -13.624 -2.570 1.00 0.00 O ATOM 340 OE2 GLU A 25 -2.883 -13.114 -2.377 1.00 0.00 O ATOM 0 H GLU A 25 -7.900 -10.416 -1.535 1.00 0.00 H new ATOM 0 HA GLU A 25 -5.412 -9.228 -0.521 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -5.644 -11.005 -2.981 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -4.264 -9.984 -2.629 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -3.567 -11.296 -0.826 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -5.164 -11.962 -0.551 1.00 0.00 H new ATOM 347 N ILE A 26 -5.505 -7.462 -2.390 1.00 0.00 N ATOM 348 CA ILE A 26 -5.786 -6.285 -3.202 1.00 0.00 C ATOM 349 C ILE A 26 -4.502 -5.690 -3.770 1.00 0.00 C ATOM 350 O ILE A 26 -3.486 -5.608 -3.080 1.00 0.00 O ATOM 351 CB ILE A 26 -6.524 -5.204 -2.391 1.00 0.00 C ATOM 352 CG1 ILE A 26 -7.754 -5.803 -1.703 1.00 0.00 C ATOM 353 CG2 ILE A 26 -6.926 -4.047 -3.292 1.00 0.00 C ATOM 354 CD1 ILE A 26 -8.669 -4.765 -1.093 1.00 0.00 C ATOM 0 H ILE A 26 -4.585 -7.460 -1.949 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.426 -6.613 -4.021 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.850 -4.823 -1.624 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -8.317 -6.390 -2.429 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -7.426 -6.490 -0.923 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.447 -3.291 -2.704 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.035 -3.608 -3.740 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -7.586 -4.411 -4.080 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -9.519 -5.260 -0.623 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -8.122 -4.193 -0.343 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -9.027 -4.092 -1.872 1.00 0.00 H new ATOM 366 N GLN A 27 -4.556 -5.274 -5.031 1.00 0.00 N ATOM 367 CA GLN A 27 -3.397 -4.685 -5.691 1.00 0.00 C ATOM 368 C GLN A 27 -3.546 -3.171 -5.803 1.00 0.00 C ATOM 369 O GLN A 27 -4.529 -2.672 -6.352 1.00 0.00 O ATOM 370 CB GLN A 27 -3.211 -5.295 -7.082 1.00 0.00 C ATOM 371 CG GLN A 27 -2.615 -6.693 -7.057 1.00 0.00 C ATOM 372 CD GLN A 27 -2.838 -7.445 -8.355 1.00 0.00 C ATOM 373 OE1 GLN A 27 -1.894 -7.721 -9.096 1.00 0.00 O ATOM 374 NE2 GLN A 27 -4.091 -7.781 -8.637 1.00 0.00 N ATOM 0 H GLN A 27 -5.390 -5.334 -5.616 1.00 0.00 H new ATOM 0 HA GLN A 27 -2.517 -4.902 -5.086 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -4.176 -5.329 -7.587 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -2.566 -4.644 -7.672 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -1.545 -6.624 -6.860 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -3.055 -7.257 -6.234 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -4.843 -7.532 -7.994 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -4.302 -8.288 -9.496 1.00 0.00 H new ATOM 383 N LEU A 28 -2.565 -2.445 -5.279 1.00 0.00 N ATOM 384 CA LEU A 28 -2.586 -0.987 -5.320 1.00 0.00 C ATOM 385 C LEU A 28 -1.620 -0.457 -6.375 1.00 0.00 C ATOM 386 O LEU A 28 -0.693 -1.154 -6.788 1.00 0.00 O ATOM 387 CB LEU A 28 -2.225 -0.414 -3.948 1.00 0.00 C ATOM 388 CG LEU A 28 -3.342 -0.416 -2.904 1.00 0.00 C ATOM 389 CD1 LEU A 28 -4.693 -0.200 -3.568 1.00 0.00 C ATOM 390 CD2 LEU A 28 -3.334 -1.719 -2.118 1.00 0.00 C ATOM 0 H LEU A 28 -1.745 -2.842 -4.821 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.594 -0.670 -5.586 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.383 -0.980 -3.550 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.884 0.612 -4.084 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.166 0.405 -2.209 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.476 -0.204 -2.810 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.695 0.759 -4.086 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -4.878 -1.000 -4.285 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.135 -1.703 -1.379 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.485 -2.556 -2.800 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.376 -1.832 -1.611 1.00 0.00 H new ATOM 402 N ARG A 29 -1.844 0.780 -6.806 1.00 0.00 N ATOM 403 CA ARG A 29 -0.993 1.403 -7.813 1.00 0.00 C ATOM 404 C ARG A 29 -0.960 2.918 -7.634 1.00 0.00 C ATOM 405 O ARG A 29 -1.971 3.597 -7.816 1.00 0.00 O ATOM 406 CB ARG A 29 -1.489 1.055 -9.217 1.00 0.00 C ATOM 407 CG ARG A 29 -0.771 1.813 -10.322 1.00 0.00 C ATOM 408 CD ARG A 29 0.475 1.075 -10.785 1.00 0.00 C ATOM 409 NE ARG A 29 0.884 1.480 -12.127 1.00 0.00 N ATOM 410 CZ ARG A 29 0.269 1.081 -13.235 1.00 0.00 C ATOM 411 NH1 ARG A 29 -0.778 0.271 -13.160 1.00 0.00 N ATOM 412 NH2 ARG A 29 0.701 1.493 -14.420 1.00 0.00 N ATOM 0 H ARG A 29 -2.607 1.370 -6.474 1.00 0.00 H new ATOM 0 HA ARG A 29 0.019 1.017 -7.687 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -1.365 -0.015 -9.382 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -2.557 1.265 -9.278 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -1.446 1.954 -11.166 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -0.496 2.805 -9.965 1.00 0.00 H new ATOM 0 HD2 ARG A 29 1.289 1.264 -10.085 1.00 0.00 H new ATOM 0 HD3 ARG A 29 0.286 0.002 -10.772 1.00 0.00 H new ATOM 0 HE ARG A 29 1.686 2.104 -12.219 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -1.113 -0.047 -12.250 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -1.249 -0.034 -14.012 1.00 0.00 H new ATOM 0 HH21 ARG A 29 1.506 2.117 -14.481 1.00 0.00 H new ATOM 0 HH22 ARG A 29 0.228 1.186 -15.270 1.00 0.00 H new ATOM 426 N TRP A 30 0.207 3.441 -7.277 1.00 0.00 N ATOM 427 CA TRP A 30 0.371 4.876 -7.073 1.00 0.00 C ATOM 428 C TRP A 30 1.628 5.385 -7.770 1.00 0.00 C ATOM 429 O TRP A 30 2.310 4.634 -8.466 1.00 0.00 O ATOM 430 CB TRP A 30 0.438 5.195 -5.578 1.00 0.00 C ATOM 431 CG TRP A 30 1.573 4.515 -4.875 1.00 0.00 C ATOM 432 CD1 TRP A 30 2.786 5.059 -4.562 1.00 0.00 C ATOM 433 CD2 TRP A 30 1.602 3.165 -4.400 1.00 0.00 C ATOM 434 NE1 TRP A 30 3.567 4.128 -3.921 1.00 0.00 N ATOM 435 CE2 TRP A 30 2.863 2.958 -3.809 1.00 0.00 C ATOM 436 CE3 TRP A 30 0.684 2.111 -4.415 1.00 0.00 C ATOM 437 CZ2 TRP A 30 3.227 1.740 -3.240 1.00 0.00 C ATOM 438 CZ3 TRP A 30 1.047 0.904 -3.850 1.00 0.00 C ATOM 439 CH2 TRP A 30 2.309 0.726 -3.269 1.00 0.00 C ATOM 0 H TRP A 30 1.054 2.893 -7.123 1.00 0.00 H new ATOM 0 HA TRP A 30 -0.492 5.380 -7.507 1.00 0.00 H new ATOM 0 HB2 TRP A 30 0.533 6.273 -5.448 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -0.500 4.899 -5.108 1.00 0.00 H new ATOM 0 HD1 TRP A 30 3.087 6.072 -4.785 1.00 0.00 H new ATOM 0 HE1 TRP A 30 4.517 4.283 -3.583 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -0.292 2.238 -4.860 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 4.200 1.601 -2.792 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 0.345 0.083 -3.856 1.00 0.00 H new ATOM 0 HH2 TRP A 30 2.562 -0.230 -2.836 1.00 0.00 H new ATOM 450 N GLY A 31 1.930 6.665 -7.577 1.00 0.00 N ATOM 451 CA GLY A 31 3.105 7.252 -8.195 1.00 0.00 C ATOM 452 C GLY A 31 3.812 8.233 -7.280 1.00 0.00 C ATOM 453 O GLY A 31 3.411 8.448 -6.136 1.00 0.00 O ATOM 0 H GLY A 31 1.382 7.306 -7.004 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.798 6.459 -8.477 1.00 0.00 H new ATOM 0 HA3 GLY A 31 2.813 7.762 -9.113 1.00 0.00 H new ATOM 457 N PRO A 32 4.892 8.846 -7.786 1.00 0.00 N ATOM 458 CA PRO A 32 5.680 9.819 -7.023 1.00 0.00 C ATOM 459 C PRO A 32 4.925 11.124 -6.794 1.00 0.00 C ATOM 460 O PRO A 32 4.270 11.656 -7.690 1.00 0.00 O ATOM 461 CB PRO A 32 6.904 10.058 -7.910 1.00 0.00 C ATOM 462 CG PRO A 32 6.440 9.739 -9.290 1.00 0.00 C ATOM 463 CD PRO A 32 5.428 8.638 -9.142 1.00 0.00 C ATOM 0 HA PRO A 32 5.924 9.453 -6.026 1.00 0.00 H new ATOM 0 HB2 PRO A 32 7.250 11.089 -7.837 1.00 0.00 H new ATOM 0 HB3 PRO A 32 7.737 9.420 -7.615 1.00 0.00 H new ATOM 0 HG2 PRO A 32 5.997 10.615 -9.765 1.00 0.00 H new ATOM 0 HG3 PRO A 32 7.272 9.422 -9.918 1.00 0.00 H new ATOM 0 HD2 PRO A 32 4.646 8.707 -9.898 1.00 0.00 H new ATOM 0 HD3 PRO A 32 5.886 7.655 -9.246 1.00 0.00 H new ATOM 471 N PRO A 33 5.018 11.653 -5.565 1.00 0.00 N ATOM 472 CA PRO A 33 4.351 12.904 -5.190 1.00 0.00 C ATOM 473 C PRO A 33 4.974 14.119 -5.868 1.00 0.00 C ATOM 474 O PRO A 33 6.153 14.108 -6.223 1.00 0.00 O ATOM 475 CB PRO A 33 4.555 12.974 -3.674 1.00 0.00 C ATOM 476 CG PRO A 33 5.784 12.171 -3.420 1.00 0.00 C ATOM 477 CD PRO A 33 5.782 11.073 -4.448 1.00 0.00 C ATOM 0 HA PRO A 33 3.304 12.915 -5.494 1.00 0.00 H new ATOM 0 HB2 PRO A 33 4.678 14.004 -3.338 1.00 0.00 H new ATOM 0 HB3 PRO A 33 3.697 12.565 -3.140 1.00 0.00 H new ATOM 0 HG2 PRO A 33 6.678 12.788 -3.510 1.00 0.00 H new ATOM 0 HG3 PRO A 33 5.780 11.760 -2.410 1.00 0.00 H new ATOM 0 HD2 PRO A 33 6.794 10.804 -4.750 1.00 0.00 H new ATOM 0 HD3 PRO A 33 5.311 10.167 -4.067 1.00 0.00 H new ATOM 485 N LEU A 34 4.176 15.167 -6.044 1.00 0.00 N ATOM 486 CA LEU A 34 4.650 16.391 -6.679 1.00 0.00 C ATOM 487 C LEU A 34 5.624 17.134 -5.770 1.00 0.00 C ATOM 488 O LEU A 34 6.506 17.851 -6.243 1.00 0.00 O ATOM 489 CB LEU A 34 3.468 17.298 -7.028 1.00 0.00 C ATOM 490 CG LEU A 34 2.850 17.092 -8.411 1.00 0.00 C ATOM 491 CD1 LEU A 34 1.411 17.584 -8.431 1.00 0.00 C ATOM 492 CD2 LEU A 34 3.673 17.803 -9.475 1.00 0.00 C ATOM 0 H LEU A 34 3.198 15.193 -5.756 1.00 0.00 H new ATOM 0 HA LEU A 34 5.173 16.117 -7.595 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.690 17.152 -6.279 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.796 18.335 -6.949 1.00 0.00 H new ATOM 0 HG LEU A 34 2.851 16.025 -8.633 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.987 17.429 -9.423 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.827 17.030 -7.697 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.386 18.646 -8.187 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.218 17.645 -10.453 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.705 18.871 -9.257 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.687 17.403 -9.478 1.00 0.00 H new ATOM 504 N VAL A 35 5.460 16.956 -4.463 1.00 0.00 N ATOM 505 CA VAL A 35 6.327 17.606 -3.488 1.00 0.00 C ATOM 506 C VAL A 35 7.139 16.581 -2.704 1.00 0.00 C ATOM 507 O VAL A 35 6.708 16.106 -1.653 1.00 0.00 O ATOM 508 CB VAL A 35 5.516 18.466 -2.501 1.00 0.00 C ATOM 509 CG1 VAL A 35 6.412 19.494 -1.826 1.00 0.00 C ATOM 510 CG2 VAL A 35 4.356 19.144 -3.214 1.00 0.00 C ATOM 0 H VAL A 35 4.734 16.367 -4.055 1.00 0.00 H new ATOM 0 HA VAL A 35 7.005 18.250 -4.048 1.00 0.00 H new ATOM 0 HB VAL A 35 5.107 17.814 -1.729 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.821 20.092 -1.132 1.00 0.00 H new ATOM 0 HG12 VAL A 35 7.205 18.983 -1.280 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.853 20.144 -2.581 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.794 19.748 -2.501 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.741 19.784 -4.008 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.701 18.387 -3.644 1.00 0.00 H new ATOM 520 N ASP A 36 8.315 16.245 -3.222 1.00 0.00 N ATOM 521 CA ASP A 36 9.189 15.276 -2.570 1.00 0.00 C ATOM 522 C ASP A 36 9.974 15.930 -1.437 1.00 0.00 C ATOM 523 O ASP A 36 10.930 15.355 -0.919 1.00 0.00 O ATOM 524 CB ASP A 36 10.152 14.661 -3.586 1.00 0.00 C ATOM 525 CG ASP A 36 9.440 14.157 -4.827 1.00 0.00 C ATOM 526 OD1 ASP A 36 8.284 13.702 -4.704 1.00 0.00 O ATOM 527 OD2 ASP A 36 10.040 14.219 -5.920 1.00 0.00 O ATOM 0 H ASP A 36 8.685 16.629 -4.091 1.00 0.00 H new ATOM 0 HA ASP A 36 8.566 14.487 -2.149 1.00 0.00 H new ATOM 0 HB2 ASP A 36 10.895 15.404 -3.874 1.00 0.00 H new ATOM 0 HB3 ASP A 36 10.690 13.836 -3.119 1.00 0.00 H new ATOM 532 N GLY A 37 9.564 17.137 -1.059 1.00 0.00 N ATOM 533 CA GLY A 37 10.241 17.849 0.009 1.00 0.00 C ATOM 534 C GLY A 37 11.577 18.416 -0.428 1.00 0.00 C ATOM 535 O GLY A 37 12.474 18.612 0.391 1.00 0.00 O ATOM 0 H GLY A 37 8.776 17.634 -1.473 1.00 0.00 H new ATOM 0 HA2 GLY A 37 9.604 18.660 0.362 1.00 0.00 H new ATOM 0 HA3 GLY A 37 10.394 17.174 0.851 1.00 0.00 H new ATOM 539 N GLY A 38 11.711 18.679 -1.725 1.00 0.00 N ATOM 540 CA GLY A 38 12.951 19.222 -2.247 1.00 0.00 C ATOM 541 C GLY A 38 13.991 18.149 -2.505 1.00 0.00 C ATOM 542 O GLY A 38 14.933 18.359 -3.270 1.00 0.00 O ATOM 0 H GLY A 38 10.983 18.526 -2.423 1.00 0.00 H new ATOM 0 HA2 GLY A 38 12.748 19.757 -3.175 1.00 0.00 H new ATOM 0 HA3 GLY A 38 13.351 19.949 -1.541 1.00 0.00 H new ATOM 546 N SER A 39 13.822 16.997 -1.865 1.00 0.00 N ATOM 547 CA SER A 39 14.756 15.889 -2.025 1.00 0.00 C ATOM 548 C SER A 39 14.124 14.756 -2.828 1.00 0.00 C ATOM 549 O SER A 39 12.905 14.580 -2.848 1.00 0.00 O ATOM 550 CB SER A 39 15.204 15.371 -0.657 1.00 0.00 C ATOM 551 OG SER A 39 16.246 16.171 -0.125 1.00 0.00 O ATOM 0 H SER A 39 13.047 16.806 -1.230 1.00 0.00 H new ATOM 0 HA SER A 39 15.626 16.256 -2.570 1.00 0.00 H new ATOM 0 HB2 SER A 39 14.357 15.368 0.029 1.00 0.00 H new ATOM 0 HB3 SER A 39 15.544 14.339 -0.749 1.00 0.00 H new ATOM 0 HG SER A 39 16.298 16.038 0.845 1.00 0.00 H new ATOM 557 N PRO A 40 14.971 13.970 -3.508 1.00 0.00 N ATOM 558 CA PRO A 40 14.519 12.840 -4.326 1.00 0.00 C ATOM 559 C PRO A 40 13.977 11.692 -3.480 1.00 0.00 C ATOM 560 O PRO A 40 14.691 11.131 -2.649 1.00 0.00 O ATOM 561 CB PRO A 40 15.788 12.407 -5.065 1.00 0.00 C ATOM 562 CG PRO A 40 16.907 12.855 -4.190 1.00 0.00 C ATOM 563 CD PRO A 40 16.435 14.121 -3.530 1.00 0.00 C ATOM 0 HA PRO A 40 13.698 13.118 -4.987 1.00 0.00 H new ATOM 0 HB2 PRO A 40 15.810 11.328 -5.215 1.00 0.00 H new ATOM 0 HB3 PRO A 40 15.848 12.867 -6.051 1.00 0.00 H new ATOM 0 HG2 PRO A 40 17.150 12.095 -3.447 1.00 0.00 H new ATOM 0 HG3 PRO A 40 17.811 13.032 -4.773 1.00 0.00 H new ATOM 0 HD2 PRO A 40 16.843 14.226 -2.525 1.00 0.00 H new ATOM 0 HD3 PRO A 40 16.739 15.004 -4.092 1.00 0.00 H new ATOM 571 N ILE A 41 12.712 11.349 -3.698 1.00 0.00 N ATOM 572 CA ILE A 41 12.076 10.267 -2.957 1.00 0.00 C ATOM 573 C ILE A 41 12.901 8.987 -3.036 1.00 0.00 C ATOM 574 O ILE A 41 13.281 8.547 -4.121 1.00 0.00 O ATOM 575 CB ILE A 41 10.656 9.983 -3.483 1.00 0.00 C ATOM 576 CG1 ILE A 41 9.817 11.262 -3.465 1.00 0.00 C ATOM 577 CG2 ILE A 41 9.992 8.895 -2.653 1.00 0.00 C ATOM 578 CD1 ILE A 41 9.480 11.745 -2.071 1.00 0.00 C ATOM 0 H ILE A 41 12.107 11.805 -4.382 1.00 0.00 H new ATOM 0 HA ILE A 41 12.012 10.591 -1.918 1.00 0.00 H new ATOM 0 HB ILE A 41 10.729 9.633 -4.513 1.00 0.00 H new ATOM 0 HG12 ILE A 41 10.357 12.048 -3.992 1.00 0.00 H new ATOM 0 HG13 ILE A 41 8.892 11.087 -4.014 1.00 0.00 H new ATOM 0 HG21 ILE A 41 8.990 8.705 -3.037 1.00 0.00 H new ATOM 0 HG22 ILE A 41 10.582 7.981 -2.713 1.00 0.00 H new ATOM 0 HG23 ILE A 41 9.928 9.218 -1.614 1.00 0.00 H new ATOM 0 HD11 ILE A 41 8.884 12.655 -2.136 1.00 0.00 H new ATOM 0 HD12 ILE A 41 8.912 10.976 -1.547 1.00 0.00 H new ATOM 0 HD13 ILE A 41 10.401 11.952 -1.525 1.00 0.00 H new ATOM 590 N SER A 42 13.173 8.393 -1.878 1.00 0.00 N ATOM 591 CA SER A 42 13.955 7.164 -1.816 1.00 0.00 C ATOM 592 C SER A 42 13.044 5.940 -1.803 1.00 0.00 C ATOM 593 O SER A 42 13.223 5.011 -2.591 1.00 0.00 O ATOM 594 CB SER A 42 14.845 7.164 -0.571 1.00 0.00 C ATOM 595 OG SER A 42 15.634 5.988 -0.508 1.00 0.00 O ATOM 0 H SER A 42 12.864 8.743 -0.971 1.00 0.00 H new ATOM 0 HA SER A 42 14.584 7.118 -2.705 1.00 0.00 H new ATOM 0 HB2 SER A 42 15.493 8.040 -0.583 1.00 0.00 H new ATOM 0 HB3 SER A 42 14.226 7.238 0.323 1.00 0.00 H new ATOM 0 HG SER A 42 16.195 6.013 0.295 1.00 0.00 H new ATOM 601 N CYS A 43 12.066 5.948 -0.903 1.00 0.00 N ATOM 602 CA CYS A 43 11.126 4.839 -0.786 1.00 0.00 C ATOM 603 C CYS A 43 9.745 5.338 -0.376 1.00 0.00 C ATOM 604 O CYS A 43 9.557 6.525 -0.107 1.00 0.00 O ATOM 605 CB CYS A 43 11.636 3.817 0.231 1.00 0.00 C ATOM 606 SG CYS A 43 12.706 2.543 -0.476 1.00 0.00 S ATOM 0 H CYS A 43 11.904 6.710 -0.244 1.00 0.00 H new ATOM 0 HA CYS A 43 11.044 4.360 -1.762 1.00 0.00 H new ATOM 0 HB2 CYS A 43 12.183 4.342 1.014 1.00 0.00 H new ATOM 0 HB3 CYS A 43 10.781 3.336 0.706 1.00 0.00 H new ATOM 0 HG CYS A 43 13.277 3.003 -1.550 1.00 0.00 H new ATOM 612 N TYR A 44 8.781 4.425 -0.331 1.00 0.00 N ATOM 613 CA TYR A 44 7.415 4.774 0.043 1.00 0.00 C ATOM 614 C TYR A 44 6.892 3.838 1.129 1.00 0.00 C ATOM 615 O TYR A 44 7.619 2.977 1.625 1.00 0.00 O ATOM 616 CB TYR A 44 6.499 4.716 -1.181 1.00 0.00 C ATOM 617 CG TYR A 44 6.859 5.718 -2.254 1.00 0.00 C ATOM 618 CD1 TYR A 44 6.481 7.050 -2.144 1.00 0.00 C ATOM 619 CD2 TYR A 44 7.578 5.332 -3.379 1.00 0.00 C ATOM 620 CE1 TYR A 44 6.807 7.969 -3.122 1.00 0.00 C ATOM 621 CE2 TYR A 44 7.909 6.244 -4.362 1.00 0.00 C ATOM 622 CZ TYR A 44 7.521 7.561 -4.230 1.00 0.00 C ATOM 623 OH TYR A 44 7.849 8.474 -5.206 1.00 0.00 O ATOM 0 H TYR A 44 8.920 3.438 -0.549 1.00 0.00 H new ATOM 0 HA TYR A 44 7.421 5.790 0.437 1.00 0.00 H new ATOM 0 HB2 TYR A 44 6.536 3.713 -1.605 1.00 0.00 H new ATOM 0 HB3 TYR A 44 5.471 4.890 -0.864 1.00 0.00 H new ATOM 0 HD1 TYR A 44 5.922 7.373 -1.278 1.00 0.00 H new ATOM 0 HD2 TYR A 44 7.883 4.302 -3.486 1.00 0.00 H new ATOM 0 HE1 TYR A 44 6.505 9.001 -3.020 1.00 0.00 H new ATOM 0 HE2 TYR A 44 8.469 5.928 -5.230 1.00 0.00 H new ATOM 0 HH TYR A 44 8.353 8.026 -5.917 1.00 0.00 H new ATOM 633 N SER A 45 5.626 4.013 1.492 1.00 0.00 N ATOM 634 CA SER A 45 5.004 3.188 2.520 1.00 0.00 C ATOM 635 C SER A 45 3.484 3.224 2.401 1.00 0.00 C ATOM 636 O SER A 45 2.872 4.293 2.432 1.00 0.00 O ATOM 637 CB SER A 45 5.430 3.663 3.911 1.00 0.00 C ATOM 638 OG SER A 45 4.690 3.003 4.924 1.00 0.00 O ATOM 0 H SER A 45 5.010 4.719 1.089 1.00 0.00 H new ATOM 0 HA SER A 45 5.337 2.160 2.377 1.00 0.00 H new ATOM 0 HB2 SER A 45 6.494 3.475 4.053 1.00 0.00 H new ATOM 0 HB3 SER A 45 5.283 4.740 3.992 1.00 0.00 H new ATOM 0 HG SER A 45 5.239 2.926 5.732 1.00 0.00 H new ATOM 644 N VAL A 46 2.879 2.049 2.265 1.00 0.00 N ATOM 645 CA VAL A 46 1.430 1.944 2.142 1.00 0.00 C ATOM 646 C VAL A 46 0.805 1.423 3.432 1.00 0.00 C ATOM 647 O VAL A 46 1.051 0.287 3.837 1.00 0.00 O ATOM 648 CB VAL A 46 1.030 1.016 0.980 1.00 0.00 C ATOM 649 CG1 VAL A 46 -0.483 0.903 0.883 1.00 0.00 C ATOM 650 CG2 VAL A 46 1.621 1.519 -0.329 1.00 0.00 C ATOM 0 H VAL A 46 3.370 1.155 2.237 1.00 0.00 H new ATOM 0 HA VAL A 46 1.057 2.948 1.940 1.00 0.00 H new ATOM 0 HB VAL A 46 1.432 0.022 1.176 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.746 0.243 0.056 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.878 0.494 1.813 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.911 1.890 0.710 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.329 0.852 -1.140 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.250 2.523 -0.534 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.708 1.542 -0.252 1.00 0.00 H new ATOM 660 N GLU A 47 -0.005 2.261 4.072 1.00 0.00 N ATOM 661 CA GLU A 47 -0.665 1.884 5.316 1.00 0.00 C ATOM 662 C GLU A 47 -2.161 1.678 5.098 1.00 0.00 C ATOM 663 O GLU A 47 -2.913 2.638 4.932 1.00 0.00 O ATOM 664 CB GLU A 47 -0.437 2.954 6.385 1.00 0.00 C ATOM 665 CG GLU A 47 -1.063 2.617 7.728 1.00 0.00 C ATOM 666 CD GLU A 47 -0.803 3.681 8.776 1.00 0.00 C ATOM 667 OE1 GLU A 47 -1.580 4.658 8.834 1.00 0.00 O ATOM 668 OE2 GLU A 47 0.175 3.538 9.539 1.00 0.00 O ATOM 0 H GLU A 47 -0.220 3.205 3.750 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.232 0.943 5.656 1.00 0.00 H new ATOM 0 HB2 GLU A 47 0.635 3.098 6.520 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.844 3.901 6.031 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.138 2.491 7.602 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.670 1.663 8.079 1.00 0.00 H new ATOM 675 N MET A 48 -2.585 0.419 5.098 1.00 0.00 N ATOM 676 CA MET A 48 -3.991 0.086 4.901 1.00 0.00 C ATOM 677 C MET A 48 -4.710 -0.054 6.239 1.00 0.00 C ATOM 678 O MET A 48 -4.117 -0.479 7.231 1.00 0.00 O ATOM 679 CB MET A 48 -4.124 -1.210 4.099 1.00 0.00 C ATOM 680 CG MET A 48 -5.552 -1.720 4.000 1.00 0.00 C ATOM 681 SD MET A 48 -5.636 -3.500 3.723 1.00 0.00 S ATOM 682 CE MET A 48 -5.234 -4.116 5.356 1.00 0.00 C ATOM 0 H MET A 48 -1.975 -0.388 5.232 1.00 0.00 H new ATOM 0 HA MET A 48 -4.455 0.899 4.343 1.00 0.00 H new ATOM 0 HB2 MET A 48 -3.735 -1.047 3.094 1.00 0.00 H new ATOM 0 HB3 MET A 48 -3.504 -1.978 4.560 1.00 0.00 H new ATOM 0 HG2 MET A 48 -6.086 -1.473 4.918 1.00 0.00 H new ATOM 0 HG3 MET A 48 -6.062 -1.205 3.186 1.00 0.00 H new ATOM 0 HE1 MET A 48 -4.500 -4.917 5.272 1.00 0.00 H new ATOM 0 HE2 MET A 48 -4.821 -3.307 5.959 1.00 0.00 H new ATOM 0 HE3 MET A 48 -6.136 -4.499 5.833 1.00 0.00 H new ATOM 692 N SER A 49 -5.989 0.306 6.260 1.00 0.00 N ATOM 693 CA SER A 49 -6.787 0.224 7.477 1.00 0.00 C ATOM 694 C SER A 49 -8.247 -0.073 7.151 1.00 0.00 C ATOM 695 O SER A 49 -8.838 0.510 6.242 1.00 0.00 O ATOM 696 CB SER A 49 -6.685 1.530 8.268 1.00 0.00 C ATOM 697 OG SER A 49 -7.860 1.760 9.027 1.00 0.00 O ATOM 0 H SER A 49 -6.495 0.658 5.447 1.00 0.00 H new ATOM 0 HA SER A 49 -6.395 -0.592 8.084 1.00 0.00 H new ATOM 0 HB2 SER A 49 -5.821 1.490 8.932 1.00 0.00 H new ATOM 0 HB3 SER A 49 -6.522 2.362 7.583 1.00 0.00 H new ATOM 0 HG SER A 49 -7.769 2.600 9.524 1.00 0.00 H new ATOM 703 N PRO A 50 -8.844 -1.004 7.910 1.00 0.00 N ATOM 704 CA PRO A 50 -10.243 -1.401 7.722 1.00 0.00 C ATOM 705 C PRO A 50 -11.218 -0.302 8.131 1.00 0.00 C ATOM 706 O PRO A 50 -11.472 -0.094 9.318 1.00 0.00 O ATOM 707 CB PRO A 50 -10.393 -2.617 8.640 1.00 0.00 C ATOM 708 CG PRO A 50 -9.352 -2.431 9.689 1.00 0.00 C ATOM 709 CD PRO A 50 -8.200 -1.740 9.011 1.00 0.00 C ATOM 0 HA PRO A 50 -10.471 -1.608 6.676 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -11.391 -2.663 9.076 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -10.241 -3.547 8.093 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -9.734 -1.833 10.516 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -9.042 -3.389 10.105 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -7.677 -1.068 9.692 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -7.464 -2.454 8.641 1.00 0.00 H new ATOM 717 N ILE A 51 -11.761 0.399 7.141 1.00 0.00 N ATOM 718 CA ILE A 51 -12.709 1.476 7.398 1.00 0.00 C ATOM 719 C ILE A 51 -13.581 1.162 8.609 1.00 0.00 C ATOM 720 O ILE A 51 -13.911 2.049 9.394 1.00 0.00 O ATOM 721 CB ILE A 51 -13.614 1.732 6.179 1.00 0.00 C ATOM 722 CG1 ILE A 51 -14.922 2.393 6.618 1.00 0.00 C ATOM 723 CG2 ILE A 51 -13.892 0.430 5.443 1.00 0.00 C ATOM 724 CD1 ILE A 51 -15.604 3.174 5.517 1.00 0.00 C ATOM 0 H ILE A 51 -11.561 0.240 6.154 1.00 0.00 H new ATOM 0 HA ILE A 51 -12.122 2.373 7.598 1.00 0.00 H new ATOM 0 HB ILE A 51 -13.098 2.408 5.497 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -15.603 1.624 6.983 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -14.719 3.062 7.454 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -14.533 0.627 4.584 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -12.952 -0.003 5.102 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -14.391 -0.268 6.115 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -16.524 3.615 5.900 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -14.941 3.965 5.168 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -15.839 2.506 4.689 1.00 0.00 H new ATOM 736 N GLU A 52 -13.951 -0.107 8.752 1.00 0.00 N ATOM 737 CA GLU A 52 -14.785 -0.538 9.868 1.00 0.00 C ATOM 738 C GLU A 52 -14.155 -0.145 11.201 1.00 0.00 C ATOM 739 O GLU A 52 -14.821 0.407 12.077 1.00 0.00 O ATOM 740 CB GLU A 52 -14.998 -2.052 9.819 1.00 0.00 C ATOM 741 CG GLU A 52 -13.724 -2.839 9.565 1.00 0.00 C ATOM 742 CD GLU A 52 -13.958 -4.337 9.537 1.00 0.00 C ATOM 743 OE1 GLU A 52 -14.905 -4.802 10.204 1.00 0.00 O ATOM 744 OE2 GLU A 52 -13.194 -5.043 8.846 1.00 0.00 O ATOM 0 H GLU A 52 -13.687 -0.854 8.110 1.00 0.00 H new ATOM 0 HA GLU A 52 -15.750 -0.039 9.781 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -15.435 -2.379 10.762 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -15.720 -2.283 9.036 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -13.291 -2.525 8.615 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -12.995 -2.604 10.341 1.00 0.00 H new ATOM 751 N LYS A 53 -12.866 -0.434 11.348 1.00 0.00 N ATOM 752 CA LYS A 53 -12.144 -0.111 12.573 1.00 0.00 C ATOM 753 C LYS A 53 -10.790 0.516 12.257 1.00 0.00 C ATOM 754 O LYS A 53 -10.157 0.178 11.257 1.00 0.00 O ATOM 755 CB LYS A 53 -11.950 -1.370 13.422 1.00 0.00 C ATOM 756 CG LYS A 53 -10.857 -2.289 12.904 1.00 0.00 C ATOM 757 CD LYS A 53 -10.841 -3.612 13.652 1.00 0.00 C ATOM 758 CE LYS A 53 -11.888 -4.572 13.108 1.00 0.00 C ATOM 759 NZ LYS A 53 -12.152 -5.696 14.049 1.00 0.00 N ATOM 0 H LYS A 53 -12.300 -0.892 10.633 1.00 0.00 H new ATOM 0 HA LYS A 53 -12.736 0.611 13.135 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -11.712 -1.076 14.444 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -12.890 -1.921 13.460 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -11.009 -2.473 11.840 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -9.889 -1.799 13.008 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -9.853 -4.065 13.571 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -11.024 -3.434 14.712 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -12.815 -4.030 12.920 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -11.553 -4.971 12.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -12.871 -6.328 13.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -11.273 -6.229 14.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -12.497 -5.317 14.954 1.00 0.00 H new ATOM 773 N ASP A 54 -10.351 1.429 13.117 1.00 0.00 N ATOM 774 CA ASP A 54 -9.071 2.101 12.930 1.00 0.00 C ATOM 775 C ASP A 54 -7.913 1.179 13.300 1.00 0.00 C ATOM 776 O ASP A 54 -7.453 1.172 14.441 1.00 0.00 O ATOM 777 CB ASP A 54 -9.012 3.376 13.774 1.00 0.00 C ATOM 778 CG ASP A 54 -7.659 4.057 13.701 1.00 0.00 C ATOM 779 OD1 ASP A 54 -7.130 4.206 12.580 1.00 0.00 O ATOM 780 OD2 ASP A 54 -7.130 4.440 14.765 1.00 0.00 O ATOM 0 H ASP A 54 -10.863 1.720 13.950 1.00 0.00 H new ATOM 0 HA ASP A 54 -8.979 2.366 11.877 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -9.783 4.068 13.435 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -9.237 3.132 14.812 1.00 0.00 H new ATOM 785 N GLU A 55 -7.450 0.400 12.327 1.00 0.00 N ATOM 786 CA GLU A 55 -6.348 -0.528 12.552 1.00 0.00 C ATOM 787 C GLU A 55 -5.296 -0.400 11.454 1.00 0.00 C ATOM 788 O GLU A 55 -5.021 -1.341 10.710 1.00 0.00 O ATOM 789 CB GLU A 55 -6.867 -1.966 12.611 1.00 0.00 C ATOM 790 CG GLU A 55 -5.827 -2.970 13.080 1.00 0.00 C ATOM 791 CD GLU A 55 -6.449 -4.219 13.674 1.00 0.00 C ATOM 792 OE1 GLU A 55 -6.737 -4.219 14.889 1.00 0.00 O ATOM 793 OE2 GLU A 55 -6.647 -5.197 12.923 1.00 0.00 O ATOM 0 H GLU A 55 -7.821 0.393 11.377 1.00 0.00 H new ATOM 0 HA GLU A 55 -5.885 -0.277 13.506 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -7.726 -2.006 13.281 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -7.220 -2.257 11.622 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -5.192 -3.249 12.239 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -5.183 -2.500 13.824 1.00 0.00 H new ATOM 800 N PRO A 56 -4.693 0.794 11.350 1.00 0.00 N ATOM 801 CA PRO A 56 -3.662 1.075 10.346 1.00 0.00 C ATOM 802 C PRO A 56 -2.360 0.332 10.629 1.00 0.00 C ATOM 803 O PRO A 56 -1.951 0.194 11.782 1.00 0.00 O ATOM 804 CB PRO A 56 -3.452 2.586 10.466 1.00 0.00 C ATOM 805 CG PRO A 56 -3.860 2.916 11.861 1.00 0.00 C ATOM 806 CD PRO A 56 -4.971 1.961 12.203 1.00 0.00 C ATOM 0 HA PRO A 56 -3.964 0.751 9.350 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -2.412 2.857 10.283 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -4.055 3.129 9.738 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -3.023 2.804 12.550 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -4.197 3.950 11.935 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -4.962 1.697 13.260 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -5.950 2.390 11.990 1.00 0.00 H new ATOM 814 N ARG A 57 -1.714 -0.144 9.570 1.00 0.00 N ATOM 815 CA ARG A 57 -0.458 -0.873 9.705 1.00 0.00 C ATOM 816 C ARG A 57 0.250 -0.989 8.358 1.00 0.00 C ATOM 817 O ARG A 57 -0.351 -1.391 7.363 1.00 0.00 O ATOM 818 CB ARG A 57 -0.713 -2.267 10.281 1.00 0.00 C ATOM 819 CG ARG A 57 -1.172 -3.280 9.245 1.00 0.00 C ATOM 820 CD ARG A 57 -2.532 -2.913 8.671 1.00 0.00 C ATOM 821 NE ARG A 57 -3.273 -4.090 8.224 1.00 0.00 N ATOM 822 CZ ARG A 57 -3.933 -4.898 9.046 1.00 0.00 C ATOM 823 NH1 ARG A 57 -3.944 -4.658 10.350 1.00 0.00 N ATOM 824 NH2 ARG A 57 -4.584 -5.949 8.564 1.00 0.00 N ATOM 0 H ARG A 57 -2.039 -0.038 8.609 1.00 0.00 H new ATOM 0 HA ARG A 57 0.185 -0.317 10.388 1.00 0.00 H new ATOM 0 HB2 ARG A 57 0.201 -2.629 10.751 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -1.467 -2.195 11.065 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -0.439 -3.336 8.440 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -1.223 -4.269 9.700 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -3.113 -2.384 9.426 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -2.399 -2.228 7.833 1.00 0.00 H new ATOM 0 HE ARG A 57 -3.284 -4.303 7.227 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -3.445 -3.851 10.724 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -4.452 -5.280 10.979 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -4.578 -6.137 7.561 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -5.091 -6.569 9.196 1.00 0.00 H new ATOM 838 N GLU A 58 1.531 -0.634 8.337 1.00 0.00 N ATOM 839 CA GLU A 58 2.321 -0.697 7.113 1.00 0.00 C ATOM 840 C GLU A 58 2.190 -2.067 6.452 1.00 0.00 C ATOM 841 O GLU A 58 2.755 -3.053 6.925 1.00 0.00 O ATOM 842 CB GLU A 58 3.792 -0.401 7.412 1.00 0.00 C ATOM 843 CG GLU A 58 4.732 -0.786 6.282 1.00 0.00 C ATOM 844 CD GLU A 58 6.186 -0.802 6.713 1.00 0.00 C ATOM 845 OE1 GLU A 58 6.631 0.185 7.336 1.00 0.00 O ATOM 846 OE2 GLU A 58 6.879 -1.801 6.428 1.00 0.00 O ATOM 0 H GLU A 58 2.043 -0.300 9.153 1.00 0.00 H new ATOM 0 HA GLU A 58 1.940 0.058 6.425 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.905 0.663 7.621 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.085 -0.936 8.315 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.458 -1.772 5.906 1.00 0.00 H new ATOM 0 HG3 GLU A 58 4.609 -0.084 5.457 1.00 0.00 H new ATOM 853 N VAL A 59 1.441 -2.119 5.355 1.00 0.00 N ATOM 854 CA VAL A 59 1.236 -3.366 4.628 1.00 0.00 C ATOM 855 C VAL A 59 2.243 -3.511 3.492 1.00 0.00 C ATOM 856 O VAL A 59 2.316 -4.555 2.843 1.00 0.00 O ATOM 857 CB VAL A 59 -0.189 -3.451 4.051 1.00 0.00 C ATOM 858 CG1 VAL A 59 -1.216 -3.517 5.171 1.00 0.00 C ATOM 859 CG2 VAL A 59 -0.464 -2.269 3.134 1.00 0.00 C ATOM 0 H VAL A 59 0.966 -1.312 4.950 1.00 0.00 H new ATOM 0 HA VAL A 59 1.379 -4.177 5.342 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.269 -4.365 3.462 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.217 -3.577 4.744 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.030 -4.399 5.784 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -1.138 -2.623 5.789 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.476 -2.345 2.735 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.365 -1.341 3.697 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.251 -2.272 2.312 1.00 0.00 H new ATOM 869 N TYR A 60 3.017 -2.458 3.256 1.00 0.00 N ATOM 870 CA TYR A 60 4.018 -2.467 2.197 1.00 0.00 C ATOM 871 C TYR A 60 5.033 -1.345 2.396 1.00 0.00 C ATOM 872 O TYR A 60 4.722 -0.312 2.988 1.00 0.00 O ATOM 873 CB TYR A 60 3.346 -2.324 0.830 1.00 0.00 C ATOM 874 CG TYR A 60 4.324 -2.267 -0.322 1.00 0.00 C ATOM 875 CD1 TYR A 60 4.820 -3.431 -0.897 1.00 0.00 C ATOM 876 CD2 TYR A 60 4.752 -1.049 -0.836 1.00 0.00 C ATOM 877 CE1 TYR A 60 5.714 -3.384 -1.949 1.00 0.00 C ATOM 878 CE2 TYR A 60 5.645 -0.992 -1.889 1.00 0.00 C ATOM 879 CZ TYR A 60 6.123 -2.162 -2.442 1.00 0.00 C ATOM 880 OH TYR A 60 7.013 -2.109 -3.490 1.00 0.00 O ATOM 0 H TYR A 60 2.970 -1.587 3.784 1.00 0.00 H new ATOM 0 HA TYR A 60 4.545 -3.421 2.239 1.00 0.00 H new ATOM 0 HB2 TYR A 60 2.667 -3.163 0.678 1.00 0.00 H new ATOM 0 HB3 TYR A 60 2.739 -1.419 0.826 1.00 0.00 H new ATOM 0 HD1 TYR A 60 4.501 -4.389 -0.515 1.00 0.00 H new ATOM 0 HD2 TYR A 60 4.380 -0.131 -0.405 1.00 0.00 H new ATOM 0 HE1 TYR A 60 6.091 -4.298 -2.383 1.00 0.00 H new ATOM 0 HE2 TYR A 60 5.967 -0.037 -2.277 1.00 0.00 H new ATOM 0 HH TYR A 60 6.577 -2.433 -4.306 1.00 0.00 H new ATOM 890 N GLN A 61 6.246 -1.559 1.898 1.00 0.00 N ATOM 891 CA GLN A 61 7.308 -0.566 2.022 1.00 0.00 C ATOM 892 C GLN A 61 8.498 -0.929 1.140 1.00 0.00 C ATOM 893 O GLN A 61 9.146 -1.955 1.346 1.00 0.00 O ATOM 894 CB GLN A 61 7.756 -0.446 3.479 1.00 0.00 C ATOM 895 CG GLN A 61 8.643 0.759 3.746 1.00 0.00 C ATOM 896 CD GLN A 61 8.974 0.926 5.216 1.00 0.00 C ATOM 897 OE1 GLN A 61 8.269 1.833 5.882 1.00 0.00 O flip ATOM 898 NE2 GLN A 61 9.853 0.248 5.748 1.00 0.00 N flip ATOM 0 H GLN A 61 6.518 -2.410 1.405 1.00 0.00 H new ATOM 0 HA GLN A 61 6.913 0.394 1.691 1.00 0.00 H new ATOM 0 HB2 GLN A 61 6.875 -0.386 4.118 1.00 0.00 H new ATOM 0 HB3 GLN A 61 8.293 -1.352 3.761 1.00 0.00 H new ATOM 0 HG2 GLN A 61 9.568 0.657 3.179 1.00 0.00 H new ATOM 0 HG3 GLN A 61 8.145 1.659 3.385 1.00 0.00 H new ATOM 0 HE21 GLN A 61 10.371 -0.438 5.199 1.00 0.00 H new ATOM 0 HE22 GLN A 61 10.064 0.372 6.738 1.00 0.00 H new ATOM 907 N GLY A 62 8.780 -0.081 0.156 1.00 0.00 N ATOM 908 CA GLY A 62 9.891 -0.330 -0.743 1.00 0.00 C ATOM 909 C GLY A 62 10.222 0.872 -1.605 1.00 0.00 C ATOM 910 O GLY A 62 10.035 2.015 -1.186 1.00 0.00 O ATOM 0 H GLY A 62 8.258 0.775 -0.035 1.00 0.00 H new ATOM 0 HA2 GLY A 62 10.770 -0.608 -0.161 1.00 0.00 H new ATOM 0 HA3 GLY A 62 9.652 -1.178 -1.385 1.00 0.00 H new ATOM 914 N SER A 63 10.715 0.616 -2.812 1.00 0.00 N ATOM 915 CA SER A 63 11.077 1.687 -3.733 1.00 0.00 C ATOM 916 C SER A 63 10.058 1.799 -4.863 1.00 0.00 C ATOM 917 O SER A 63 10.000 2.810 -5.562 1.00 0.00 O ATOM 918 CB SER A 63 12.472 1.441 -4.311 1.00 0.00 C ATOM 919 OG SER A 63 12.476 0.317 -5.174 1.00 0.00 O ATOM 0 H SER A 63 10.873 -0.324 -3.175 1.00 0.00 H new ATOM 0 HA SER A 63 11.082 2.625 -3.177 1.00 0.00 H new ATOM 0 HB2 SER A 63 12.803 2.324 -4.857 1.00 0.00 H new ATOM 0 HB3 SER A 63 13.182 1.283 -3.500 1.00 0.00 H new ATOM 0 HG SER A 63 13.378 0.182 -5.531 1.00 0.00 H new ATOM 925 N GLU A 64 9.257 0.752 -5.036 1.00 0.00 N ATOM 926 CA GLU A 64 8.241 0.733 -6.081 1.00 0.00 C ATOM 927 C GLU A 64 7.026 1.562 -5.675 1.00 0.00 C ATOM 928 O GLU A 64 6.948 2.061 -4.552 1.00 0.00 O ATOM 929 CB GLU A 64 7.814 -0.705 -6.381 1.00 0.00 C ATOM 930 CG GLU A 64 8.647 -1.376 -7.460 1.00 0.00 C ATOM 931 CD GLU A 64 8.106 -1.126 -8.855 1.00 0.00 C ATOM 932 OE1 GLU A 64 8.225 0.017 -9.342 1.00 0.00 O ATOM 933 OE2 GLU A 64 7.565 -2.076 -9.459 1.00 0.00 O ATOM 0 H GLU A 64 9.292 -0.093 -4.466 1.00 0.00 H new ATOM 0 HA GLU A 64 8.673 1.172 -6.980 1.00 0.00 H new ATOM 0 HB2 GLU A 64 7.880 -1.293 -5.465 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.768 -0.708 -6.687 1.00 0.00 H new ATOM 0 HG2 GLU A 64 9.673 -1.011 -7.401 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.679 -2.450 -7.274 1.00 0.00 H new ATOM 940 N VAL A 65 6.080 1.706 -6.598 1.00 0.00 N ATOM 941 CA VAL A 65 4.868 2.473 -6.337 1.00 0.00 C ATOM 942 C VAL A 65 3.625 1.602 -6.476 1.00 0.00 C ATOM 943 O VAL A 65 2.510 2.110 -6.592 1.00 0.00 O ATOM 944 CB VAL A 65 4.749 3.676 -7.292 1.00 0.00 C ATOM 945 CG1 VAL A 65 5.989 4.552 -7.205 1.00 0.00 C ATOM 946 CG2 VAL A 65 4.521 3.201 -8.719 1.00 0.00 C ATOM 0 H VAL A 65 6.130 1.301 -7.533 1.00 0.00 H new ATOM 0 HA VAL A 65 4.939 2.838 -5.312 1.00 0.00 H new ATOM 0 HB VAL A 65 3.889 4.274 -6.990 1.00 0.00 H new ATOM 0 HG11 VAL A 65 5.886 5.396 -7.887 1.00 0.00 H new ATOM 0 HG12 VAL A 65 6.103 4.920 -6.186 1.00 0.00 H new ATOM 0 HG13 VAL A 65 6.867 3.968 -7.480 1.00 0.00 H new ATOM 0 HG21 VAL A 65 4.439 4.063 -9.381 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.360 2.580 -9.034 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.601 2.619 -8.766 1.00 0.00 H new ATOM 956 N GLU A 66 3.825 0.288 -6.462 1.00 0.00 N ATOM 957 CA GLU A 66 2.719 -0.654 -6.587 1.00 0.00 C ATOM 958 C GLU A 66 2.974 -1.907 -5.755 1.00 0.00 C ATOM 959 O GLU A 66 4.001 -2.569 -5.910 1.00 0.00 O ATOM 960 CB GLU A 66 2.509 -1.037 -8.054 1.00 0.00 C ATOM 961 CG GLU A 66 3.529 -2.036 -8.573 1.00 0.00 C ATOM 962 CD GLU A 66 3.090 -3.474 -8.376 1.00 0.00 C ATOM 963 OE1 GLU A 66 1.873 -3.741 -8.474 1.00 0.00 O ATOM 964 OE2 GLU A 66 3.961 -4.332 -8.122 1.00 0.00 O ATOM 0 H GLU A 66 4.742 -0.148 -6.365 1.00 0.00 H new ATOM 0 HA GLU A 66 1.818 -0.168 -6.213 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.510 -1.456 -8.172 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.551 -0.136 -8.666 1.00 0.00 H new ATOM 0 HG2 GLU A 66 3.702 -1.855 -9.634 1.00 0.00 H new ATOM 0 HG3 GLU A 66 4.479 -1.877 -8.063 1.00 0.00 H new ATOM 971 N CYS A 67 2.035 -2.224 -4.871 1.00 0.00 N ATOM 972 CA CYS A 67 2.158 -3.397 -4.012 1.00 0.00 C ATOM 973 C CYS A 67 0.885 -4.237 -4.053 1.00 0.00 C ATOM 974 O CYS A 67 -0.122 -3.831 -4.635 1.00 0.00 O ATOM 975 CB CYS A 67 2.456 -2.972 -2.574 1.00 0.00 C ATOM 976 SG CYS A 67 1.091 -2.109 -1.760 1.00 0.00 S ATOM 0 H CYS A 67 1.180 -1.686 -4.730 1.00 0.00 H new ATOM 0 HA CYS A 67 2.984 -4.004 -4.383 1.00 0.00 H new ATOM 0 HB2 CYS A 67 2.711 -3.857 -1.991 1.00 0.00 H new ATOM 0 HB3 CYS A 67 3.333 -2.325 -2.572 1.00 0.00 H new ATOM 0 HG CYS A 67 0.912 -0.951 -2.323 1.00 0.00 H new ATOM 982 N THR A 68 0.938 -5.412 -3.433 1.00 0.00 N ATOM 983 CA THR A 68 -0.209 -6.311 -3.402 1.00 0.00 C ATOM 984 C THR A 68 -0.538 -6.733 -1.974 1.00 0.00 C ATOM 985 O THR A 68 0.153 -7.566 -1.388 1.00 0.00 O ATOM 986 CB THR A 68 0.041 -7.570 -4.252 1.00 0.00 C ATOM 987 OG1 THR A 68 0.231 -7.205 -5.624 1.00 0.00 O ATOM 988 CG2 THR A 68 -1.125 -8.541 -4.137 1.00 0.00 C ATOM 0 H THR A 68 1.763 -5.763 -2.946 1.00 0.00 H new ATOM 0 HA THR A 68 -1.053 -5.761 -3.820 1.00 0.00 H new ATOM 0 HB THR A 68 0.940 -8.061 -3.879 1.00 0.00 H new ATOM 0 HG1 THR A 68 0.391 -8.011 -6.158 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.926 -9.423 -4.746 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.249 -8.839 -3.096 1.00 0.00 H new ATOM 0 HG23 THR A 68 -2.037 -8.057 -4.486 1.00 0.00 H new ATOM 996 N VAL A 69 -1.597 -6.153 -1.419 1.00 0.00 N ATOM 997 CA VAL A 69 -2.019 -6.470 -0.060 1.00 0.00 C ATOM 998 C VAL A 69 -2.616 -7.871 0.017 1.00 0.00 C ATOM 999 O VAL A 69 -3.028 -8.437 -0.995 1.00 0.00 O ATOM 1000 CB VAL A 69 -3.053 -5.454 0.458 1.00 0.00 C ATOM 1001 CG1 VAL A 69 -3.442 -5.773 1.894 1.00 0.00 C ATOM 1002 CG2 VAL A 69 -2.510 -4.037 0.347 1.00 0.00 C ATOM 0 H VAL A 69 -2.179 -5.460 -1.890 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.129 -6.422 0.567 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.948 -5.525 -0.160 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -4.174 -5.044 2.243 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -3.875 -6.772 1.940 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -2.557 -5.731 2.529 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -3.254 -3.332 0.718 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.600 -3.949 0.940 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -2.287 -3.814 -0.696 1.00 0.00 H new ATOM 1012 N SER A 70 -2.659 -8.424 1.225 1.00 0.00 N ATOM 1013 CA SER A 70 -3.202 -9.761 1.434 1.00 0.00 C ATOM 1014 C SER A 70 -3.664 -9.939 2.878 1.00 0.00 C ATOM 1015 O SER A 70 -3.400 -9.096 3.734 1.00 0.00 O ATOM 1016 CB SER A 70 -2.155 -10.820 1.088 1.00 0.00 C ATOM 1017 OG SER A 70 -1.221 -10.978 2.142 1.00 0.00 O ATOM 0 H SER A 70 -2.324 -7.967 2.073 1.00 0.00 H new ATOM 0 HA SER A 70 -4.063 -9.884 0.777 1.00 0.00 H new ATOM 0 HB2 SER A 70 -2.648 -11.772 0.889 1.00 0.00 H new ATOM 0 HB3 SER A 70 -1.633 -10.535 0.175 1.00 0.00 H new ATOM 0 HG SER A 70 -0.563 -11.662 1.897 1.00 0.00 H new ATOM 1023 N SER A 71 -4.357 -11.043 3.138 1.00 0.00 N ATOM 1024 CA SER A 71 -4.859 -11.332 4.476 1.00 0.00 C ATOM 1025 C SER A 71 -6.048 -10.438 4.814 1.00 0.00 C ATOM 1026 O SER A 71 -6.281 -10.107 5.978 1.00 0.00 O ATOM 1027 CB SER A 71 -3.751 -11.140 5.513 1.00 0.00 C ATOM 1028 OG SER A 71 -3.997 -11.917 6.672 1.00 0.00 O ATOM 0 H SER A 71 -4.583 -11.752 2.440 1.00 0.00 H new ATOM 0 HA SER A 71 -5.189 -12.371 4.497 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.791 -11.421 5.080 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.682 -10.087 5.785 1.00 0.00 H new ATOM 0 HG SER A 71 -4.885 -11.703 7.027 1.00 0.00 H new ATOM 1034 N LEU A 72 -6.799 -10.050 3.789 1.00 0.00 N ATOM 1035 CA LEU A 72 -7.965 -9.193 3.976 1.00 0.00 C ATOM 1036 C LEU A 72 -9.253 -10.008 3.922 1.00 0.00 C ATOM 1037 O LEU A 72 -9.231 -11.205 3.634 1.00 0.00 O ATOM 1038 CB LEU A 72 -7.995 -8.099 2.907 1.00 0.00 C ATOM 1039 CG LEU A 72 -6.649 -7.458 2.565 1.00 0.00 C ATOM 1040 CD1 LEU A 72 -6.832 -6.349 1.540 1.00 0.00 C ATOM 1041 CD2 LEU A 72 -5.979 -6.921 3.821 1.00 0.00 C ATOM 0 H LEU A 72 -6.622 -10.315 2.820 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.891 -8.729 4.960 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.416 -8.522 1.995 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -8.675 -7.314 3.238 1.00 0.00 H new ATOM 0 HG LEU A 72 -6.003 -8.222 2.132 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -5.864 -5.904 1.309 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.268 -6.762 0.631 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.495 -5.585 1.945 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -5.023 -6.469 3.558 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.621 -6.171 4.283 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -5.813 -7.738 4.523 1.00 0.00 H new ATOM 1053 N LEU A 73 -10.374 -9.351 4.197 1.00 0.00 N ATOM 1054 CA LEU A 73 -11.674 -10.014 4.178 1.00 0.00 C ATOM 1055 C LEU A 73 -12.465 -9.625 2.933 1.00 0.00 C ATOM 1056 O LEU A 73 -12.531 -8.457 2.550 1.00 0.00 O ATOM 1057 CB LEU A 73 -12.470 -9.656 5.435 1.00 0.00 C ATOM 1058 CG LEU A 73 -11.772 -9.922 6.769 1.00 0.00 C ATOM 1059 CD1 LEU A 73 -12.599 -9.376 7.922 1.00 0.00 C ATOM 1060 CD2 LEU A 73 -11.519 -11.412 6.951 1.00 0.00 C ATOM 0 H LEU A 73 -10.410 -8.360 4.436 1.00 0.00 H new ATOM 0 HA LEU A 73 -11.505 -11.091 4.157 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -12.729 -8.598 5.388 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -13.406 -10.215 5.420 1.00 0.00 H new ATOM 0 HG LEU A 73 -10.811 -9.408 6.763 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -12.087 -9.575 8.863 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -12.729 -8.301 7.799 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -13.575 -9.861 7.931 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -11.022 -11.583 7.906 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -12.469 -11.947 6.936 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -10.885 -11.775 6.142 1.00 0.00 H new ATOM 1072 N PRO A 74 -13.083 -10.625 2.288 1.00 0.00 N ATOM 1073 CA PRO A 74 -13.884 -10.411 1.079 1.00 0.00 C ATOM 1074 C PRO A 74 -15.182 -9.665 1.367 1.00 0.00 C ATOM 1075 O PRO A 74 -15.694 -9.700 2.485 1.00 0.00 O ATOM 1076 CB PRO A 74 -14.180 -11.833 0.594 1.00 0.00 C ATOM 1077 CG PRO A 74 -14.099 -12.675 1.820 1.00 0.00 C ATOM 1078 CD PRO A 74 -13.048 -12.041 2.689 1.00 0.00 C ATOM 0 HA PRO A 74 -13.361 -9.796 0.347 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -15.166 -11.897 0.134 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -13.457 -12.154 -0.156 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -15.060 -12.711 2.333 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -13.832 -13.702 1.571 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -13.274 -12.164 3.748 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -12.066 -12.483 2.519 1.00 0.00 H new ATOM 1086 N GLY A 75 -15.709 -8.990 0.350 1.00 0.00 N ATOM 1087 CA GLY A 75 -16.944 -8.245 0.516 1.00 0.00 C ATOM 1088 C GLY A 75 -16.850 -7.204 1.614 1.00 0.00 C ATOM 1089 O GLY A 75 -17.856 -6.839 2.222 1.00 0.00 O ATOM 0 H GLY A 75 -15.304 -8.946 -0.585 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -17.198 -7.755 -0.424 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -17.754 -8.937 0.744 1.00 0.00 H new ATOM 1093 N LYS A 76 -15.638 -6.724 1.870 1.00 0.00 N ATOM 1094 CA LYS A 76 -15.415 -5.720 2.903 1.00 0.00 C ATOM 1095 C LYS A 76 -14.567 -4.569 2.369 1.00 0.00 C ATOM 1096 O LYS A 76 -13.676 -4.772 1.543 1.00 0.00 O ATOM 1097 CB LYS A 76 -14.730 -6.350 4.118 1.00 0.00 C ATOM 1098 CG LYS A 76 -15.666 -7.177 4.982 1.00 0.00 C ATOM 1099 CD LYS A 76 -16.582 -6.295 5.815 1.00 0.00 C ATOM 1100 CE LYS A 76 -15.808 -5.549 6.892 1.00 0.00 C ATOM 1101 NZ LYS A 76 -15.257 -4.261 6.387 1.00 0.00 N ATOM 0 H LYS A 76 -14.794 -7.015 1.376 1.00 0.00 H new ATOM 0 HA LYS A 76 -16.385 -5.325 3.205 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -13.911 -6.983 3.776 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -14.290 -5.560 4.727 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -16.266 -7.830 4.348 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -15.082 -7.820 5.640 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -17.088 -5.579 5.167 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -17.355 -6.907 6.279 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -16.463 -5.356 7.742 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -14.993 -6.176 7.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -14.219 -4.320 6.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -15.631 -4.073 5.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -15.535 -3.490 7.027 1.00 0.00 H new ATOM 1115 N THR A 77 -14.848 -3.361 2.846 1.00 0.00 N ATOM 1116 CA THR A 77 -14.112 -2.179 2.417 1.00 0.00 C ATOM 1117 C THR A 77 -12.898 -1.935 3.306 1.00 0.00 C ATOM 1118 O THR A 77 -12.885 -2.320 4.475 1.00 0.00 O ATOM 1119 CB THR A 77 -15.005 -0.924 2.432 1.00 0.00 C ATOM 1120 OG1 THR A 77 -16.127 -1.111 1.563 1.00 0.00 O ATOM 1121 CG2 THR A 77 -14.220 0.304 1.998 1.00 0.00 C ATOM 0 H THR A 77 -15.581 -3.175 3.531 1.00 0.00 H new ATOM 0 HA THR A 77 -13.780 -2.367 1.396 1.00 0.00 H new ATOM 0 HB THR A 77 -15.358 -0.768 3.452 1.00 0.00 H new ATOM 0 HG1 THR A 77 -16.691 -0.309 1.579 1.00 0.00 H new ATOM 0 HG21 THR A 77 -14.872 1.178 2.017 1.00 0.00 H new ATOM 0 HG22 THR A 77 -13.384 0.461 2.679 1.00 0.00 H new ATOM 0 HG23 THR A 77 -13.841 0.155 0.987 1.00 0.00 H new ATOM 1129 N TYR A 78 -11.879 -1.293 2.745 1.00 0.00 N ATOM 1130 CA TYR A 78 -10.659 -0.999 3.487 1.00 0.00 C ATOM 1131 C TYR A 78 -10.033 0.308 3.010 1.00 0.00 C ATOM 1132 O TYR A 78 -9.825 0.509 1.813 1.00 0.00 O ATOM 1133 CB TYR A 78 -9.656 -2.144 3.334 1.00 0.00 C ATOM 1134 CG TYR A 78 -10.008 -3.369 4.147 1.00 0.00 C ATOM 1135 CD1 TYR A 78 -11.038 -4.215 3.756 1.00 0.00 C ATOM 1136 CD2 TYR A 78 -9.308 -3.682 5.307 1.00 0.00 C ATOM 1137 CE1 TYR A 78 -11.363 -5.335 4.496 1.00 0.00 C ATOM 1138 CE2 TYR A 78 -9.625 -4.800 6.052 1.00 0.00 C ATOM 1139 CZ TYR A 78 -10.654 -5.624 5.643 1.00 0.00 C ATOM 1140 OH TYR A 78 -10.974 -6.739 6.383 1.00 0.00 O ATOM 0 H TYR A 78 -11.874 -0.966 1.779 1.00 0.00 H new ATOM 0 HA TYR A 78 -10.921 -0.892 4.540 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -9.592 -2.422 2.282 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -8.668 -1.793 3.631 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -11.595 -3.993 2.857 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -8.503 -3.039 5.631 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -12.168 -5.981 4.178 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -9.071 -5.029 6.950 1.00 0.00 H new ATOM 0 HH TYR A 78 -10.379 -6.799 7.159 1.00 0.00 H new ATOM 1150 N SER A 79 -9.733 1.193 3.955 1.00 0.00 N ATOM 1151 CA SER A 79 -9.133 2.482 3.633 1.00 0.00 C ATOM 1152 C SER A 79 -7.621 2.354 3.478 1.00 0.00 C ATOM 1153 O SER A 79 -6.912 2.035 4.433 1.00 0.00 O ATOM 1154 CB SER A 79 -9.461 3.507 4.720 1.00 0.00 C ATOM 1155 OG SER A 79 -8.734 3.242 5.907 1.00 0.00 O ATOM 0 H SER A 79 -9.896 1.041 4.950 1.00 0.00 H new ATOM 0 HA SER A 79 -9.550 2.822 2.685 1.00 0.00 H new ATOM 0 HB2 SER A 79 -9.226 4.509 4.362 1.00 0.00 H new ATOM 0 HB3 SER A 79 -10.530 3.487 4.932 1.00 0.00 H new ATOM 0 HG SER A 79 -8.735 2.278 6.083 1.00 0.00 H new ATOM 1161 N PHE A 80 -7.133 2.606 2.268 1.00 0.00 N ATOM 1162 CA PHE A 80 -5.704 2.518 1.987 1.00 0.00 C ATOM 1163 C PHE A 80 -5.078 3.908 1.914 1.00 0.00 C ATOM 1164 O PHE A 80 -5.709 4.862 1.460 1.00 0.00 O ATOM 1165 CB PHE A 80 -5.467 1.771 0.673 1.00 0.00 C ATOM 1166 CG PHE A 80 -5.880 0.327 0.721 1.00 0.00 C ATOM 1167 CD1 PHE A 80 -7.192 -0.040 0.471 1.00 0.00 C ATOM 1168 CD2 PHE A 80 -4.956 -0.662 1.017 1.00 0.00 C ATOM 1169 CE1 PHE A 80 -7.575 -1.368 0.516 1.00 0.00 C ATOM 1170 CE2 PHE A 80 -5.333 -1.991 1.063 1.00 0.00 C ATOM 1171 CZ PHE A 80 -6.644 -2.344 0.811 1.00 0.00 C ATOM 0 H PHE A 80 -7.705 2.873 1.467 1.00 0.00 H new ATOM 0 HA PHE A 80 -5.232 1.968 2.801 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -6.016 2.271 -0.124 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -4.409 1.830 0.417 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -7.924 0.719 0.238 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -3.929 -0.391 1.214 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -8.601 -1.641 0.321 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -4.603 -2.752 1.296 1.00 0.00 H new ATOM 0 HZ PHE A 80 -6.941 -3.382 0.845 1.00 0.00 H new ATOM 1181 N ARG A 81 -3.833 4.013 2.366 1.00 0.00 N ATOM 1182 CA ARG A 81 -3.121 5.285 2.354 1.00 0.00 C ATOM 1183 C ARG A 81 -1.769 5.146 1.661 1.00 0.00 C ATOM 1184 O ARG A 81 -1.417 4.070 1.173 1.00 0.00 O ATOM 1185 CB ARG A 81 -2.922 5.796 3.783 1.00 0.00 C ATOM 1186 CG ARG A 81 -4.115 6.566 4.325 1.00 0.00 C ATOM 1187 CD ARG A 81 -4.236 6.416 5.834 1.00 0.00 C ATOM 1188 NE ARG A 81 -3.498 7.454 6.548 1.00 0.00 N ATOM 1189 CZ ARG A 81 -3.780 7.834 7.789 1.00 0.00 C ATOM 1190 NH1 ARG A 81 -4.778 7.265 8.450 1.00 0.00 N ATOM 1191 NH2 ARG A 81 -3.062 8.786 8.372 1.00 0.00 N ATOM 0 H ARG A 81 -3.296 3.233 2.745 1.00 0.00 H new ATOM 0 HA ARG A 81 -3.723 6.003 1.798 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -2.719 4.949 4.438 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -2.042 6.439 3.811 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -4.015 7.621 4.070 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -5.028 6.208 3.848 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -5.287 6.457 6.119 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -3.863 5.436 6.132 1.00 0.00 H new ATOM 0 HE ARG A 81 -2.724 7.912 6.068 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -5.332 6.533 8.006 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -4.992 7.559 9.403 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -2.293 9.226 7.867 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -3.279 9.077 9.325 1.00 0.00 H new ATOM 1205 N LEU A 82 -1.015 6.239 1.619 1.00 0.00 N ATOM 1206 CA LEU A 82 0.298 6.239 0.984 1.00 0.00 C ATOM 1207 C LEU A 82 1.165 7.371 1.527 1.00 0.00 C ATOM 1208 O LEU A 82 0.685 8.484 1.744 1.00 0.00 O ATOM 1209 CB LEU A 82 0.153 6.375 -0.532 1.00 0.00 C ATOM 1210 CG LEU A 82 1.434 6.699 -1.302 1.00 0.00 C ATOM 1211 CD1 LEU A 82 2.381 5.510 -1.288 1.00 0.00 C ATOM 1212 CD2 LEU A 82 1.108 7.107 -2.732 1.00 0.00 C ATOM 0 H LEU A 82 -1.291 7.137 2.017 1.00 0.00 H new ATOM 0 HA LEU A 82 0.785 5.291 1.212 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.256 5.443 -0.923 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -0.579 7.156 -0.738 1.00 0.00 H new ATOM 0 HG LEU A 82 1.929 7.536 -0.810 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.287 5.760 -1.841 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.641 5.264 -0.258 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.896 4.653 -1.755 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.031 7.334 -3.265 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.590 6.290 -3.234 1.00 0.00 H new ATOM 0 HD23 LEU A 82 0.469 7.990 -2.722 1.00 0.00 H new ATOM 1224 N ARG A 83 2.443 7.080 1.742 1.00 0.00 N ATOM 1225 CA ARG A 83 3.377 8.073 2.258 1.00 0.00 C ATOM 1226 C ARG A 83 4.788 7.817 1.735 1.00 0.00 C ATOM 1227 O ARG A 83 5.260 6.681 1.725 1.00 0.00 O ATOM 1228 CB ARG A 83 3.379 8.057 3.787 1.00 0.00 C ATOM 1229 CG ARG A 83 4.160 6.898 4.384 1.00 0.00 C ATOM 1230 CD ARG A 83 4.341 7.061 5.885 1.00 0.00 C ATOM 1231 NE ARG A 83 4.882 5.855 6.505 1.00 0.00 N ATOM 1232 CZ ARG A 83 5.334 5.810 7.754 1.00 0.00 C ATOM 1233 NH1 ARG A 83 5.310 6.899 8.511 1.00 0.00 N ATOM 1234 NH2 ARG A 83 5.811 4.675 8.248 1.00 0.00 N ATOM 0 H ARG A 83 2.856 6.164 1.567 1.00 0.00 H new ATOM 0 HA ARG A 83 3.052 9.054 1.912 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.801 8.994 4.151 1.00 0.00 H new ATOM 0 HB3 ARG A 83 2.350 8.012 4.143 1.00 0.00 H new ATOM 0 HG2 ARG A 83 3.639 5.963 4.179 1.00 0.00 H new ATOM 0 HG3 ARG A 83 5.136 6.831 3.904 1.00 0.00 H new ATOM 0 HD2 ARG A 83 5.009 7.900 6.081 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.382 7.304 6.342 1.00 0.00 H new ATOM 0 HE ARG A 83 4.915 5.000 5.949 1.00 0.00 H new ATOM 0 HH11 ARG A 83 4.944 7.774 8.135 1.00 0.00 H new ATOM 0 HH12 ARG A 83 5.657 6.862 9.469 1.00 0.00 H new ATOM 0 HH21 ARG A 83 5.831 3.835 7.669 1.00 0.00 H new ATOM 0 HH22 ARG A 83 6.158 4.642 9.207 1.00 0.00 H new ATOM 1248 N ALA A 84 5.454 8.881 1.299 1.00 0.00 N ATOM 1249 CA ALA A 84 6.810 8.772 0.776 1.00 0.00 C ATOM 1250 C ALA A 84 7.835 9.234 1.807 1.00 0.00 C ATOM 1251 O ALA A 84 7.486 9.870 2.801 1.00 0.00 O ATOM 1252 CB ALA A 84 6.948 9.579 -0.506 1.00 0.00 C ATOM 0 H ALA A 84 5.076 9.829 1.298 1.00 0.00 H new ATOM 0 HA ALA A 84 7.004 7.723 0.554 1.00 0.00 H new ATOM 0 HB1 ALA A 84 7.966 9.488 -0.885 1.00 0.00 H new ATOM 0 HB2 ALA A 84 6.248 9.201 -1.251 1.00 0.00 H new ATOM 0 HB3 ALA A 84 6.729 10.627 -0.302 1.00 0.00 H new ATOM 1258 N ALA A 85 9.100 8.909 1.563 1.00 0.00 N ATOM 1259 CA ALA A 85 10.176 9.292 2.469 1.00 0.00 C ATOM 1260 C ALA A 85 11.426 9.699 1.697 1.00 0.00 C ATOM 1261 O ALA A 85 11.624 9.286 0.555 1.00 0.00 O ATOM 1262 CB ALA A 85 10.492 8.151 3.425 1.00 0.00 C ATOM 0 H ALA A 85 9.405 8.381 0.745 1.00 0.00 H new ATOM 0 HA ALA A 85 9.841 10.154 3.046 1.00 0.00 H new ATOM 0 HB1 ALA A 85 11.297 8.451 4.096 1.00 0.00 H new ATOM 0 HB2 ALA A 85 9.604 7.909 4.009 1.00 0.00 H new ATOM 0 HB3 ALA A 85 10.801 7.274 2.856 1.00 0.00 H new ATOM 1268 N ASN A 86 12.267 10.513 2.327 1.00 0.00 N ATOM 1269 CA ASN A 86 13.498 10.977 1.698 1.00 0.00 C ATOM 1270 C ASN A 86 14.615 11.120 2.727 1.00 0.00 C ATOM 1271 O ASN A 86 14.404 10.910 3.922 1.00 0.00 O ATOM 1272 CB ASN A 86 13.263 12.316 0.995 1.00 0.00 C ATOM 1273 CG ASN A 86 12.633 13.347 1.912 1.00 0.00 C ATOM 1274 OD1 ASN A 86 12.622 13.184 3.132 1.00 0.00 O ATOM 1275 ND2 ASN A 86 12.106 14.416 1.326 1.00 0.00 N ATOM 0 H ASN A 86 12.118 10.865 3.273 1.00 0.00 H new ATOM 0 HA ASN A 86 13.801 10.234 0.960 1.00 0.00 H new ATOM 0 HB2 ASN A 86 14.213 12.698 0.621 1.00 0.00 H new ATOM 0 HB3 ASN A 86 12.618 12.161 0.130 1.00 0.00 H new ATOM 0 HD21 ASN A 86 11.669 15.144 1.891 1.00 0.00 H new ATOM 0 HD22 ASN A 86 12.138 14.509 0.311 1.00 0.00 H new ATOM 1282 N LYS A 87 15.804 11.478 2.256 1.00 0.00 N ATOM 1283 CA LYS A 87 16.955 11.651 3.133 1.00 0.00 C ATOM 1284 C LYS A 87 16.545 12.314 4.445 1.00 0.00 C ATOM 1285 O LYS A 87 17.183 12.114 5.478 1.00 0.00 O ATOM 1286 CB LYS A 87 18.030 12.492 2.440 1.00 0.00 C ATOM 1287 CG LYS A 87 17.475 13.692 1.693 1.00 0.00 C ATOM 1288 CD LYS A 87 18.526 14.327 0.798 1.00 0.00 C ATOM 1289 CE LYS A 87 19.321 15.391 1.539 1.00 0.00 C ATOM 1290 NZ LYS A 87 20.647 15.635 0.906 1.00 0.00 N ATOM 0 H LYS A 87 15.996 11.654 1.270 1.00 0.00 H new ATOM 0 HA LYS A 87 17.361 10.664 3.355 1.00 0.00 H new ATOM 0 HB2 LYS A 87 18.746 12.838 3.186 1.00 0.00 H new ATOM 0 HB3 LYS A 87 18.578 11.861 1.741 1.00 0.00 H new ATOM 0 HG2 LYS A 87 16.621 13.383 1.090 1.00 0.00 H new ATOM 0 HG3 LYS A 87 17.111 14.430 2.408 1.00 0.00 H new ATOM 0 HD2 LYS A 87 19.203 13.557 0.428 1.00 0.00 H new ATOM 0 HD3 LYS A 87 18.043 14.772 -0.072 1.00 0.00 H new ATOM 0 HE2 LYS A 87 18.752 16.321 1.560 1.00 0.00 H new ATOM 0 HE3 LYS A 87 19.464 15.082 2.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 21.158 16.366 1.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 21.200 14.754 0.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 20.510 15.955 -0.074 1.00 0.00 H new ATOM 1304 N MET A 88 15.475 13.100 4.396 1.00 0.00 N ATOM 1305 CA MET A 88 14.978 13.789 5.581 1.00 0.00 C ATOM 1306 C MET A 88 14.165 12.844 6.459 1.00 0.00 C ATOM 1307 O MET A 88 14.518 12.591 7.610 1.00 0.00 O ATOM 1308 CB MET A 88 14.123 14.992 5.177 1.00 0.00 C ATOM 1309 CG MET A 88 14.791 15.898 4.156 1.00 0.00 C ATOM 1310 SD MET A 88 16.124 16.882 4.868 1.00 0.00 S ATOM 1311 CE MET A 88 17.554 15.926 4.369 1.00 0.00 C ATOM 0 H MET A 88 14.935 13.276 3.548 1.00 0.00 H new ATOM 0 HA MET A 88 15.837 14.139 6.154 1.00 0.00 H new ATOM 0 HB2 MET A 88 13.177 14.635 4.769 1.00 0.00 H new ATOM 0 HB3 MET A 88 13.886 15.574 6.067 1.00 0.00 H new ATOM 0 HG2 MET A 88 15.187 15.291 3.342 1.00 0.00 H new ATOM 0 HG3 MET A 88 14.044 16.564 3.723 1.00 0.00 H new ATOM 0 HE1 MET A 88 18.434 16.280 4.906 1.00 0.00 H new ATOM 0 HE2 MET A 88 17.387 14.874 4.600 1.00 0.00 H new ATOM 0 HE3 MET A 88 17.713 16.041 3.297 1.00 0.00 H new ATOM 1321 N GLY A 89 13.073 12.323 5.907 1.00 0.00 N ATOM 1322 CA GLY A 89 12.226 11.411 6.654 1.00 0.00 C ATOM 1323 C GLY A 89 10.927 11.105 5.936 1.00 0.00 C ATOM 1324 O GLY A 89 10.777 11.411 4.752 1.00 0.00 O ATOM 0 H GLY A 89 12.760 12.516 4.956 1.00 0.00 H new ATOM 0 HA2 GLY A 89 12.767 10.481 6.832 1.00 0.00 H new ATOM 0 HA3 GLY A 89 12.005 11.843 7.630 1.00 0.00 H new ATOM 1328 N PHE A 90 9.986 10.498 6.651 1.00 0.00 N ATOM 1329 CA PHE A 90 8.694 10.148 6.073 1.00 0.00 C ATOM 1330 C PHE A 90 7.690 11.281 6.259 1.00 0.00 C ATOM 1331 O PHE A 90 7.630 11.905 7.317 1.00 0.00 O ATOM 1332 CB PHE A 90 8.156 8.866 6.713 1.00 0.00 C ATOM 1333 CG PHE A 90 8.647 7.612 6.046 1.00 0.00 C ATOM 1334 CD1 PHE A 90 9.888 7.083 6.363 1.00 0.00 C ATOM 1335 CD2 PHE A 90 7.867 6.962 5.103 1.00 0.00 C ATOM 1336 CE1 PHE A 90 10.342 5.931 5.751 1.00 0.00 C ATOM 1337 CE2 PHE A 90 8.316 5.809 4.488 1.00 0.00 C ATOM 1338 CZ PHE A 90 9.555 5.292 4.813 1.00 0.00 C ATOM 0 H PHE A 90 10.094 10.238 7.631 1.00 0.00 H new ATOM 0 HA PHE A 90 8.835 9.982 5.005 1.00 0.00 H new ATOM 0 HB2 PHE A 90 8.444 8.846 7.764 1.00 0.00 H new ATOM 0 HB3 PHE A 90 7.067 8.883 6.681 1.00 0.00 H new ATOM 0 HD1 PHE A 90 10.507 7.577 7.097 1.00 0.00 H new ATOM 0 HD2 PHE A 90 6.897 7.361 4.846 1.00 0.00 H new ATOM 0 HE1 PHE A 90 11.312 5.530 6.006 1.00 0.00 H new ATOM 0 HE2 PHE A 90 7.699 5.312 3.754 1.00 0.00 H new ATOM 0 HZ PHE A 90 9.908 4.390 4.335 1.00 0.00 H new ATOM 1348 N GLY A 91 6.902 11.543 5.219 1.00 0.00 N ATOM 1349 CA GLY A 91 5.912 12.601 5.287 1.00 0.00 C ATOM 1350 C GLY A 91 4.531 12.082 5.633 1.00 0.00 C ATOM 1351 O GLY A 91 4.358 10.925 6.017 1.00 0.00 O ATOM 0 H GLY A 91 6.933 11.041 4.332 1.00 0.00 H new ATOM 0 HA2 GLY A 91 6.219 13.334 6.033 1.00 0.00 H new ATOM 0 HA3 GLY A 91 5.872 13.119 4.329 1.00 0.00 H new ATOM 1355 N PRO A 92 3.517 12.949 5.499 1.00 0.00 N ATOM 1356 CA PRO A 92 2.126 12.594 5.797 1.00 0.00 C ATOM 1357 C PRO A 92 1.549 11.612 4.783 1.00 0.00 C ATOM 1358 O PRO A 92 1.958 11.591 3.622 1.00 0.00 O ATOM 1359 CB PRO A 92 1.393 13.936 5.720 1.00 0.00 C ATOM 1360 CG PRO A 92 2.227 14.772 4.812 1.00 0.00 C ATOM 1361 CD PRO A 92 3.650 14.344 5.046 1.00 0.00 C ATOM 0 HA PRO A 92 2.030 12.096 6.762 1.00 0.00 H new ATOM 0 HB2 PRO A 92 0.383 13.813 5.329 1.00 0.00 H new ATOM 0 HB3 PRO A 92 1.300 14.393 6.705 1.00 0.00 H new ATOM 0 HG2 PRO A 92 1.941 14.622 3.771 1.00 0.00 H new ATOM 0 HG3 PRO A 92 2.098 15.832 5.029 1.00 0.00 H new ATOM 0 HD2 PRO A 92 4.246 14.416 4.136 1.00 0.00 H new ATOM 0 HD3 PRO A 92 4.138 14.965 5.797 1.00 0.00 H new ATOM 1369 N PHE A 93 0.596 10.801 5.229 1.00 0.00 N ATOM 1370 CA PHE A 93 -0.038 9.816 4.360 1.00 0.00 C ATOM 1371 C PHE A 93 -1.012 10.487 3.396 1.00 0.00 C ATOM 1372 O PHE A 93 -1.411 11.634 3.598 1.00 0.00 O ATOM 1373 CB PHE A 93 -0.772 8.765 5.195 1.00 0.00 C ATOM 1374 CG PHE A 93 0.081 7.582 5.555 1.00 0.00 C ATOM 1375 CD1 PHE A 93 0.446 6.656 4.591 1.00 0.00 C ATOM 1376 CD2 PHE A 93 0.516 7.395 6.857 1.00 0.00 C ATOM 1377 CE1 PHE A 93 1.232 5.567 4.918 1.00 0.00 C ATOM 1378 CE2 PHE A 93 1.302 6.308 7.190 1.00 0.00 C ATOM 1379 CZ PHE A 93 1.659 5.392 6.219 1.00 0.00 C ATOM 0 H PHE A 93 0.246 10.806 6.187 1.00 0.00 H new ATOM 0 HA PHE A 93 0.743 9.327 3.778 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -1.138 9.231 6.110 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -1.645 8.418 4.642 1.00 0.00 H new ATOM 0 HD1 PHE A 93 0.112 6.787 3.572 1.00 0.00 H new ATOM 0 HD2 PHE A 93 0.238 8.107 7.620 1.00 0.00 H new ATOM 0 HE1 PHE A 93 1.512 4.854 4.157 1.00 0.00 H new ATOM 0 HE2 PHE A 93 1.637 6.175 8.208 1.00 0.00 H new ATOM 0 HZ PHE A 93 2.271 4.541 6.478 1.00 0.00 H new ATOM 1389 N SER A 94 -1.391 9.764 2.348 1.00 0.00 N ATOM 1390 CA SER A 94 -2.315 10.290 1.349 1.00 0.00 C ATOM 1391 C SER A 94 -3.755 10.212 1.848 1.00 0.00 C ATOM 1392 O SER A 94 -4.006 9.840 2.993 1.00 0.00 O ATOM 1393 CB SER A 94 -2.175 9.517 0.037 1.00 0.00 C ATOM 1394 OG SER A 94 -2.678 8.198 0.165 1.00 0.00 O ATOM 0 H SER A 94 -1.073 8.812 2.168 1.00 0.00 H new ATOM 0 HA SER A 94 -2.065 11.336 1.174 1.00 0.00 H new ATOM 0 HB2 SER A 94 -2.712 10.039 -0.755 1.00 0.00 H new ATOM 0 HB3 SER A 94 -1.126 9.482 -0.258 1.00 0.00 H new ATOM 0 HG SER A 94 -3.655 8.212 0.091 1.00 0.00 H new ATOM 1400 N GLU A 95 -4.695 10.567 0.978 1.00 0.00 N ATOM 1401 CA GLU A 95 -6.110 10.538 1.329 1.00 0.00 C ATOM 1402 C GLU A 95 -6.610 9.102 1.457 1.00 0.00 C ATOM 1403 O GLU A 95 -6.298 8.247 0.627 1.00 0.00 O ATOM 1404 CB GLU A 95 -6.934 11.285 0.279 1.00 0.00 C ATOM 1405 CG GLU A 95 -6.964 12.790 0.485 1.00 0.00 C ATOM 1406 CD GLU A 95 -8.135 13.240 1.336 1.00 0.00 C ATOM 1407 OE1 GLU A 95 -7.986 13.287 2.575 1.00 0.00 O ATOM 1408 OE2 GLU A 95 -9.202 13.545 0.763 1.00 0.00 O ATOM 0 H GLU A 95 -4.503 10.878 0.026 1.00 0.00 H new ATOM 0 HA GLU A 95 -6.229 11.033 2.293 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -6.528 11.070 -0.709 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -7.955 10.905 0.293 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -6.034 13.107 0.957 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -7.014 13.285 -0.485 1.00 0.00 H new ATOM 1415 N LYS A 96 -7.387 8.843 2.503 1.00 0.00 N ATOM 1416 CA LYS A 96 -7.932 7.512 2.742 1.00 0.00 C ATOM 1417 C LYS A 96 -8.866 7.096 1.610 1.00 0.00 C ATOM 1418 O LYS A 96 -9.959 7.644 1.461 1.00 0.00 O ATOM 1419 CB LYS A 96 -8.682 7.477 4.075 1.00 0.00 C ATOM 1420 CG LYS A 96 -7.789 7.708 5.282 1.00 0.00 C ATOM 1421 CD LYS A 96 -8.599 7.830 6.561 1.00 0.00 C ATOM 1422 CE LYS A 96 -9.500 9.056 6.535 1.00 0.00 C ATOM 1423 NZ LYS A 96 -9.806 9.548 7.907 1.00 0.00 N ATOM 0 H LYS A 96 -7.654 9.538 3.200 1.00 0.00 H new ATOM 0 HA LYS A 96 -7.101 6.808 2.782 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -9.464 8.236 4.062 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -9.176 6.511 4.179 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -7.082 6.884 5.375 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -7.203 8.615 5.134 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -9.205 6.934 6.696 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -7.925 7.890 7.416 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -9.018 9.849 5.964 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -10.430 8.813 6.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -10.422 10.384 7.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -10.289 8.800 8.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -8.921 9.804 8.389 1.00 0.00 H new ATOM 1437 N CYS A 97 -8.430 6.123 0.817 1.00 0.00 N ATOM 1438 CA CYS A 97 -9.228 5.633 -0.301 1.00 0.00 C ATOM 1439 C CYS A 97 -9.970 4.356 0.079 1.00 0.00 C ATOM 1440 O CYS A 97 -9.373 3.408 0.590 1.00 0.00 O ATOM 1441 CB CYS A 97 -8.337 5.377 -1.517 1.00 0.00 C ATOM 1442 SG CYS A 97 -7.615 3.719 -1.567 1.00 0.00 S ATOM 0 H CYS A 97 -7.529 5.658 0.928 1.00 0.00 H new ATOM 0 HA CYS A 97 -9.963 6.397 -0.553 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -8.923 5.534 -2.423 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -7.533 6.112 -1.526 1.00 0.00 H new ATOM 0 HG CYS A 97 -8.106 3.003 -0.599 1.00 0.00 H new ATOM 1448 N ASP A 98 -11.275 4.339 -0.172 1.00 0.00 N ATOM 1449 CA ASP A 98 -12.099 3.179 0.145 1.00 0.00 C ATOM 1450 C ASP A 98 -12.105 2.184 -1.012 1.00 0.00 C ATOM 1451 O ASP A 98 -12.498 2.519 -2.129 1.00 0.00 O ATOM 1452 CB ASP A 98 -13.530 3.615 0.466 1.00 0.00 C ATOM 1453 CG ASP A 98 -14.381 3.768 -0.780 1.00 0.00 C ATOM 1454 OD1 ASP A 98 -14.190 4.762 -1.511 1.00 0.00 O ATOM 1455 OD2 ASP A 98 -15.238 2.893 -1.023 1.00 0.00 O ATOM 0 H ASP A 98 -11.784 5.116 -0.594 1.00 0.00 H new ATOM 0 HA ASP A 98 -11.672 2.689 1.020 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -13.990 2.882 1.129 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -13.506 4.562 1.005 1.00 0.00 H new ATOM 1460 N ILE A 99 -11.664 0.961 -0.736 1.00 0.00 N ATOM 1461 CA ILE A 99 -11.618 -0.082 -1.753 1.00 0.00 C ATOM 1462 C ILE A 99 -12.350 -1.336 -1.288 1.00 0.00 C ATOM 1463 O ILE A 99 -12.013 -1.919 -0.257 1.00 0.00 O ATOM 1464 CB ILE A 99 -10.168 -0.452 -2.115 1.00 0.00 C ATOM 1465 CG1 ILE A 99 -9.475 0.726 -2.805 1.00 0.00 C ATOM 1466 CG2 ILE A 99 -10.143 -1.684 -3.007 1.00 0.00 C ATOM 1467 CD1 ILE A 99 -8.001 0.497 -3.056 1.00 0.00 C ATOM 0 H ILE A 99 -11.334 0.668 0.184 1.00 0.00 H new ATOM 0 HA ILE A 99 -12.114 0.318 -2.638 1.00 0.00 H new ATOM 0 HB ILE A 99 -9.627 -0.681 -1.197 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -9.971 0.923 -3.756 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -9.596 1.619 -2.191 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -9.111 -1.933 -3.254 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -10.603 -2.522 -2.483 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -10.697 -1.481 -3.924 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -7.575 1.372 -3.547 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -7.492 0.330 -2.107 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -7.872 -0.376 -3.695 1.00 0.00 H new ATOM 1479 N THR A 100 -13.354 -1.748 -2.056 1.00 0.00 N ATOM 1480 CA THR A 100 -14.134 -2.934 -1.724 1.00 0.00 C ATOM 1481 C THR A 100 -13.534 -4.182 -2.361 1.00 0.00 C ATOM 1482 O THR A 100 -13.402 -4.267 -3.583 1.00 0.00 O ATOM 1483 CB THR A 100 -15.597 -2.790 -2.181 1.00 0.00 C ATOM 1484 OG1 THR A 100 -16.118 -1.522 -1.767 1.00 0.00 O ATOM 1485 CG2 THR A 100 -16.455 -3.908 -1.609 1.00 0.00 C ATOM 0 H THR A 100 -13.646 -1.278 -2.913 1.00 0.00 H new ATOM 0 HA THR A 100 -14.109 -3.036 -0.639 1.00 0.00 H new ATOM 0 HB THR A 100 -15.622 -2.854 -3.269 1.00 0.00 H new ATOM 0 HG1 THR A 100 -16.096 -1.463 -0.789 1.00 0.00 H new ATOM 0 HG21 THR A 100 -17.484 -3.785 -1.946 1.00 0.00 H new ATOM 0 HG22 THR A 100 -16.074 -4.870 -1.951 1.00 0.00 H new ATOM 0 HG23 THR A 100 -16.422 -3.871 -0.520 1.00 0.00 H new ATOM 1493 N THR A 101 -13.173 -5.152 -1.526 1.00 0.00 N ATOM 1494 CA THR A 101 -12.587 -6.396 -2.008 1.00 0.00 C ATOM 1495 C THR A 101 -13.593 -7.197 -2.828 1.00 0.00 C ATOM 1496 O THR A 101 -14.706 -6.738 -3.081 1.00 0.00 O ATOM 1497 CB THR A 101 -12.082 -7.268 -0.843 1.00 0.00 C ATOM 1498 OG1 THR A 101 -13.127 -7.454 0.118 1.00 0.00 O ATOM 1499 CG2 THR A 101 -10.876 -6.628 -0.171 1.00 0.00 C ATOM 0 H THR A 101 -13.276 -5.099 -0.513 1.00 0.00 H new ATOM 0 HA THR A 101 -11.742 -6.123 -2.640 1.00 0.00 H new ATOM 0 HB THR A 101 -11.783 -8.236 -1.246 1.00 0.00 H new ATOM 0 HG1 THR A 101 -12.735 -7.576 1.008 1.00 0.00 H new ATOM 0 HG21 THR A 101 -10.537 -7.262 0.648 1.00 0.00 H new ATOM 0 HG22 THR A 101 -10.072 -6.514 -0.898 1.00 0.00 H new ATOM 0 HG23 THR A 101 -11.154 -5.649 0.219 1.00 0.00 H new ATOM 1507 N ALA A 102 -13.194 -8.396 -3.239 1.00 0.00 N ATOM 1508 CA ALA A 102 -14.062 -9.261 -4.027 1.00 0.00 C ATOM 1509 C ALA A 102 -15.055 -10.000 -3.137 1.00 0.00 C ATOM 1510 O ALA A 102 -14.765 -10.338 -1.989 1.00 0.00 O ATOM 1511 CB ALA A 102 -13.232 -10.251 -4.831 1.00 0.00 C ATOM 0 H ALA A 102 -12.275 -8.790 -3.039 1.00 0.00 H new ATOM 0 HA ALA A 102 -14.628 -8.635 -4.716 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -13.894 -10.891 -5.415 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -12.567 -9.708 -5.502 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -12.640 -10.865 -4.152 1.00 0.00 H new ATOM 1517 N PRO A 103 -16.256 -10.258 -3.677 1.00 0.00 N ATOM 1518 CA PRO A 103 -17.317 -10.960 -2.948 1.00 0.00 C ATOM 1519 C PRO A 103 -16.991 -12.433 -2.726 1.00 0.00 C ATOM 1520 O PRO A 103 -17.799 -13.183 -2.180 1.00 0.00 O ATOM 1521 CB PRO A 103 -18.533 -10.814 -3.865 1.00 0.00 C ATOM 1522 CG PRO A 103 -17.961 -10.634 -5.228 1.00 0.00 C ATOM 1523 CD PRO A 103 -16.670 -9.885 -5.040 1.00 0.00 C ATOM 0 HA PRO A 103 -17.467 -10.549 -1.950 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -19.173 -11.695 -3.817 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -19.146 -9.960 -3.577 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -17.787 -11.597 -5.708 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -18.645 -10.077 -5.868 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -15.925 -10.176 -5.780 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -16.812 -8.809 -5.137 1.00 0.00 H new ATOM 1531 N GLY A 104 -15.800 -12.842 -3.154 1.00 0.00 N ATOM 1532 CA GLY A 104 -15.388 -14.224 -2.992 1.00 0.00 C ATOM 1533 C GLY A 104 -15.664 -15.060 -4.226 1.00 0.00 C ATOM 1534 O GLY A 104 -14.827 -15.862 -4.641 1.00 0.00 O ATOM 0 H GLY A 104 -15.114 -12.241 -3.610 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -14.322 -14.258 -2.765 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -15.910 -14.658 -2.139 1.00 0.00 H new ATOM 1538 N SER A 105 -16.841 -14.872 -4.815 1.00 0.00 N ATOM 1539 CA SER A 105 -17.227 -15.619 -6.007 1.00 0.00 C ATOM 1540 C SER A 105 -17.248 -14.712 -7.233 1.00 0.00 C ATOM 1541 O SER A 105 -18.304 -14.238 -7.651 1.00 0.00 O ATOM 1542 CB SER A 105 -18.601 -16.261 -5.809 1.00 0.00 C ATOM 1543 OG SER A 105 -18.719 -17.456 -6.562 1.00 0.00 O ATOM 0 H SER A 105 -17.543 -14.209 -4.487 1.00 0.00 H new ATOM 0 HA SER A 105 -16.488 -16.403 -6.170 1.00 0.00 H new ATOM 0 HB2 SER A 105 -18.756 -16.477 -4.752 1.00 0.00 H new ATOM 0 HB3 SER A 105 -19.380 -15.560 -6.109 1.00 0.00 H new ATOM 0 HG SER A 105 -18.738 -18.225 -5.955 1.00 0.00 H new ATOM 1549 N GLY A 106 -16.072 -14.474 -7.806 1.00 0.00 N ATOM 1550 CA GLY A 106 -15.976 -13.624 -8.979 1.00 0.00 C ATOM 1551 C GLY A 106 -15.073 -14.210 -10.047 1.00 0.00 C ATOM 1552 O GLY A 106 -15.534 -14.782 -11.034 1.00 0.00 O ATOM 0 H GLY A 106 -15.184 -14.855 -7.479 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -16.972 -13.469 -9.394 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -15.598 -12.645 -8.685 1.00 0.00 H new ATOM 1556 N PRO A 107 -13.753 -14.066 -9.855 1.00 0.00 N ATOM 1557 CA PRO A 107 -12.756 -14.578 -10.800 1.00 0.00 C ATOM 1558 C PRO A 107 -12.689 -16.101 -10.804 1.00 0.00 C ATOM 1559 O PRO A 107 -12.189 -16.707 -11.751 1.00 0.00 O ATOM 1560 CB PRO A 107 -11.442 -13.986 -10.283 1.00 0.00 C ATOM 1561 CG PRO A 107 -11.678 -13.750 -8.831 1.00 0.00 C ATOM 1562 CD PRO A 107 -13.133 -13.395 -8.701 1.00 0.00 C ATOM 0 HA PRO A 107 -12.989 -14.302 -11.828 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -10.609 -14.671 -10.442 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -11.195 -13.059 -10.800 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -11.439 -14.639 -8.247 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -11.045 -12.945 -8.458 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -13.550 -13.749 -7.758 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -13.288 -12.317 -8.733 1.00 0.00 H new ATOM 1570 N SER A 108 -13.197 -16.714 -9.740 1.00 0.00 N ATOM 1571 CA SER A 108 -13.192 -18.167 -9.620 1.00 0.00 C ATOM 1572 C SER A 108 -14.607 -18.701 -9.421 1.00 0.00 C ATOM 1573 O SER A 108 -15.251 -18.421 -8.410 1.00 0.00 O ATOM 1574 CB SER A 108 -12.302 -18.601 -8.453 1.00 0.00 C ATOM 1575 OG SER A 108 -10.965 -18.171 -8.644 1.00 0.00 O ATOM 0 H SER A 108 -13.617 -16.227 -8.948 1.00 0.00 H new ATOM 0 HA SER A 108 -12.793 -18.581 -10.546 1.00 0.00 H new ATOM 0 HB2 SER A 108 -12.691 -18.188 -7.522 1.00 0.00 H new ATOM 0 HB3 SER A 108 -12.328 -19.686 -8.356 1.00 0.00 H new ATOM 0 HG SER A 108 -10.417 -18.459 -7.884 1.00 0.00 H new ATOM 1581 N SER A 109 -15.084 -19.472 -10.393 1.00 0.00 N ATOM 1582 CA SER A 109 -16.424 -20.043 -10.328 1.00 0.00 C ATOM 1583 C SER A 109 -16.506 -21.115 -9.246 1.00 0.00 C ATOM 1584 O SER A 109 -15.750 -22.085 -9.260 1.00 0.00 O ATOM 1585 CB SER A 109 -16.815 -20.637 -11.682 1.00 0.00 C ATOM 1586 OG SER A 109 -17.438 -19.666 -12.505 1.00 0.00 O ATOM 0 H SER A 109 -14.562 -19.716 -11.235 1.00 0.00 H new ATOM 0 HA SER A 109 -17.121 -19.244 -10.076 1.00 0.00 H new ATOM 0 HB2 SER A 109 -15.928 -21.026 -12.182 1.00 0.00 H new ATOM 0 HB3 SER A 109 -17.491 -21.479 -11.532 1.00 0.00 H new ATOM 0 HG SER A 109 -17.677 -20.071 -13.365 1.00 0.00 H new ATOM 1592 N GLY A 110 -17.431 -20.933 -8.308 1.00 0.00 N ATOM 1593 CA GLY A 110 -17.596 -21.891 -7.232 1.00 0.00 C ATOM 1594 C GLY A 110 -17.823 -21.223 -5.890 1.00 0.00 C ATOM 1595 O GLY A 110 -18.841 -20.563 -5.682 1.00 0.00 O ATOM 0 H GLY A 110 -18.069 -20.138 -8.275 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -18.440 -22.543 -7.457 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -16.710 -22.524 -7.174 1.00 0.00 H new TER 1599 GLY A 110