USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 674 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 89 TYR OH : rot 180:sc= -1.1 USER MOD Set 1.2: A 96 SER OG : rot -140:sc= 0.488 USER MOD Set 2.1: A 48 ASN : amide:sc= -0.169 X(o=-1.4,f=-1.1) USER MOD Set 2.2: A 73 ASN : amide:sc= -1.22 K(o=-1.4,f=-5.9!) USER MOD Set 3.1: A 16 LYS NZ :NH3+ 140:sc= 0.25 (180deg=0) USER MOD Set 3.2: A 17 ASN : amide:sc= -3.7 K(o=-3.5,f=-5.4!) USER MOD Single : A 1 GLY N :NH3+ -118:sc= 1.24 (180deg=-0.361) USER MOD Single : A 5 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.033) USER MOD Single : A 6 HIS : no HE2:sc= -5.21! C(o=-5.2!,f=-15!) USER MOD Single : A 11 THR OG1 : rot -150:sc= 0 USER MOD Single : A 27 THR OG1 : rot 126:sc= 0.667 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -158:sc= 0.314 (180deg=-0.884!) USER MOD Single : A 42 ASN : amide:sc= -0.249 X(o=-0.25,f=-0.6) USER MOD Single : A 43 THR OG1 : rot 43:sc= -1.12 USER MOD Single : A 47 ASN : amide:sc= -2.78 X(o=-2.8,f=-3) USER MOD Single : A 49 ASN : amide:sc= -0.28 K(o=-0.28,f=-0.87) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.45 K(o=-0.45,f=-1.3!) USER MOD Single : A 56 ASN : amide:sc= -6.77! C(o=-6.8!,f=-11!) USER MOD Single : A 62 THR OG1 : rot -87:sc= 1.31 USER MOD Single : A 64 SER OG : rot 180:sc= -2.95! USER MOD Single : A 66 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 67 ASN : amide:sc= 0.247 K(o=0.25,f=-1.9!) USER MOD Single : A 70 SER OG : rot 170:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 113:sc= 1.26 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 169:sc= 1.22 (180deg=1.07) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -159:sc= -0.189 (180deg=-0.632) USER MOD Single : A 85 THR OG1 : rot 17:sc= -0.0284 USER MOD Single : A 87 ASN : amide:sc= -6.04! C(o=-6!,f=-3.5!) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot -52:sc= 0.516 USER MOD Single : A 99 SER OG : rot 38:sc= 0.062 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 17.028 -2.095 -3.251 1.00 0.00 N ATOM 2 CA GLY A 1 15.922 -3.015 -2.887 1.00 0.00 C ATOM 3 C GLY A 1 15.902 -3.342 -1.411 1.00 0.00 C ATOM 4 O GLY A 1 15.443 -2.532 -0.605 1.00 0.00 O ATOM 0 H1 GLY A 1 16.633 -1.212 -3.632 1.00 0.00 H new ATOM 0 H2 GLY A 1 17.596 -1.884 -2.406 1.00 0.00 H new ATOM 0 H3 GLY A 1 17.630 -2.544 -3.970 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.971 -2.563 -3.169 1.00 0.00 H new ATOM 0 HA3 GLY A 1 16.018 -3.938 -3.459 1.00 0.00 H new ATOM 10 N VAL A 2 16.407 -4.539 -1.084 1.00 0.00 N ATOM 11 CA VAL A 2 16.492 -5.076 0.280 1.00 0.00 C ATOM 12 C VAL A 2 15.110 -5.403 0.855 1.00 0.00 C ATOM 13 O VAL A 2 14.085 -5.068 0.263 1.00 0.00 O ATOM 14 CB VAL A 2 17.270 -4.148 1.248 1.00 0.00 C ATOM 15 CG1 VAL A 2 16.328 -3.236 2.021 1.00 0.00 C ATOM 16 CG2 VAL A 2 18.130 -4.973 2.194 1.00 0.00 C ATOM 0 H VAL A 2 16.779 -5.180 -1.784 1.00 0.00 H new ATOM 0 HA VAL A 2 17.058 -6.004 0.193 1.00 0.00 H new ATOM 0 HB VAL A 2 17.924 -3.510 0.653 1.00 0.00 H new ATOM 0 HG11 VAL A 2 16.906 -2.599 2.690 1.00 0.00 H new ATOM 0 HG12 VAL A 2 15.768 -2.615 1.322 1.00 0.00 H new ATOM 0 HG13 VAL A 2 15.634 -3.841 2.605 1.00 0.00 H new ATOM 0 HG21 VAL A 2 18.670 -4.308 2.868 1.00 0.00 H new ATOM 0 HG22 VAL A 2 17.494 -5.640 2.776 1.00 0.00 H new ATOM 0 HG23 VAL A 2 18.843 -5.563 1.617 1.00 0.00 H new ATOM 26 N ASP A 3 15.102 -6.085 2.003 1.00 0.00 N ATOM 27 CA ASP A 3 13.873 -6.438 2.702 1.00 0.00 C ATOM 28 C ASP A 3 13.002 -5.204 2.911 1.00 0.00 C ATOM 29 O ASP A 3 13.407 -4.235 3.549 1.00 0.00 O ATOM 30 CB ASP A 3 14.196 -7.128 4.030 1.00 0.00 C ATOM 31 CG ASP A 3 14.975 -6.270 5.005 1.00 0.00 C ATOM 32 OD1 ASP A 3 16.106 -5.856 4.674 1.00 0.00 O ATOM 33 OD2 ASP A 3 14.471 -6.042 6.123 1.00 0.00 O ATOM 0 H ASP A 3 15.950 -6.406 2.471 1.00 0.00 H new ATOM 0 HA ASP A 3 13.308 -7.140 2.089 1.00 0.00 H new ATOM 0 HB2 ASP A 3 13.263 -7.438 4.501 1.00 0.00 H new ATOM 0 HB3 ASP A 3 14.766 -8.034 3.826 1.00 0.00 H new ATOM 38 N PRO A 4 11.793 -5.236 2.327 1.00 0.00 N ATOM 39 CA PRO A 4 10.871 -4.083 2.228 1.00 0.00 C ATOM 40 C PRO A 4 10.642 -3.221 3.497 1.00 0.00 C ATOM 41 O PRO A 4 10.117 -2.116 3.373 1.00 0.00 O ATOM 42 CB PRO A 4 9.544 -4.719 1.800 1.00 0.00 C ATOM 43 CG PRO A 4 9.766 -6.192 1.745 1.00 0.00 C ATOM 44 CD PRO A 4 11.232 -6.415 1.637 1.00 0.00 C ATOM 0 HA PRO A 4 11.313 -3.360 1.542 1.00 0.00 H new ATOM 0 HB2 PRO A 4 8.753 -4.474 2.508 1.00 0.00 H new ATOM 0 HB3 PRO A 4 9.230 -4.339 0.828 1.00 0.00 H new ATOM 0 HG2 PRO A 4 9.369 -6.674 2.638 1.00 0.00 H new ATOM 0 HG3 PRO A 4 9.247 -6.627 0.891 1.00 0.00 H new ATOM 0 HD2 PRO A 4 11.536 -7.346 2.115 1.00 0.00 H new ATOM 0 HD3 PRO A 4 11.558 -6.469 0.598 1.00 0.00 H new ATOM 52 N LYS A 5 11.035 -3.670 4.693 1.00 0.00 N ATOM 53 CA LYS A 5 10.680 -2.926 5.920 1.00 0.00 C ATOM 54 C LYS A 5 11.518 -1.669 6.150 1.00 0.00 C ATOM 55 O LYS A 5 11.451 -1.074 7.221 1.00 0.00 O ATOM 56 CB LYS A 5 10.721 -3.807 7.175 1.00 0.00 C ATOM 57 CG LYS A 5 12.005 -4.608 7.391 1.00 0.00 C ATOM 58 CD LYS A 5 13.190 -3.742 7.803 1.00 0.00 C ATOM 59 CE LYS A 5 12.915 -2.929 9.064 1.00 0.00 C ATOM 60 NZ LYS A 5 12.530 -3.773 10.226 1.00 0.00 N ATOM 0 H LYS A 5 11.582 -4.517 4.844 1.00 0.00 H new ATOM 0 HA LYS A 5 9.653 -2.605 5.745 1.00 0.00 H new ATOM 0 HB2 LYS A 5 10.562 -3.171 8.046 1.00 0.00 H new ATOM 0 HB3 LYS A 5 9.884 -4.504 7.133 1.00 0.00 H new ATOM 0 HG2 LYS A 5 11.830 -5.362 8.158 1.00 0.00 H new ATOM 0 HG3 LYS A 5 12.253 -5.139 6.472 1.00 0.00 H new ATOM 0 HD2 LYS A 5 14.060 -4.378 7.968 1.00 0.00 H new ATOM 0 HD3 LYS A 5 13.441 -3.065 6.987 1.00 0.00 H new ATOM 0 HE2 LYS A 5 13.804 -2.353 9.319 1.00 0.00 H new ATOM 0 HE3 LYS A 5 12.118 -2.213 8.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 12.438 -3.177 11.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 11.621 -4.239 10.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 13.261 -4.495 10.388 1.00 0.00 H new ATOM 74 N HIS A 6 12.276 -1.251 5.156 1.00 0.00 N ATOM 75 CA HIS A 6 13.121 -0.058 5.280 1.00 0.00 C ATOM 76 C HIS A 6 12.286 1.228 5.231 1.00 0.00 C ATOM 77 O HIS A 6 12.822 2.315 5.018 1.00 0.00 O ATOM 78 CB HIS A 6 14.208 -0.041 4.201 1.00 0.00 C ATOM 79 CG HIS A 6 13.721 -0.475 2.867 1.00 0.00 C ATOM 80 ND1 HIS A 6 13.494 -1.791 2.540 1.00 0.00 N ATOM 81 CD2 HIS A 6 13.364 0.243 1.796 1.00 0.00 C ATOM 82 CE1 HIS A 6 13.010 -1.862 1.321 1.00 0.00 C ATOM 83 NE2 HIS A 6 12.922 -0.639 0.838 1.00 0.00 N ATOM 0 H HIS A 6 12.331 -1.714 4.249 1.00 0.00 H new ATOM 0 HA HIS A 6 13.608 -0.101 6.254 1.00 0.00 H new ATOM 0 HB2 HIS A 6 14.614 0.967 4.121 1.00 0.00 H new ATOM 0 HB3 HIS A 6 15.027 -0.691 4.510 1.00 0.00 H new ATOM 0 HD1 HIS A 6 13.674 -2.589 3.150 1.00 0.00 H new ATOM 0 HD2 HIS A 6 13.414 1.318 1.701 1.00 0.00 H new ATOM 0 HE1 HIS A 6 12.732 -2.768 0.803 1.00 0.00 H new ATOM 92 N VAL A 7 10.973 1.062 5.429 1.00 0.00 N ATOM 93 CA VAL A 7 10.001 2.152 5.566 1.00 0.00 C ATOM 94 C VAL A 7 10.193 3.280 4.545 1.00 0.00 C ATOM 95 O VAL A 7 10.552 3.031 3.393 1.00 0.00 O ATOM 96 CB VAL A 7 9.963 2.696 7.023 1.00 0.00 C ATOM 97 CG1 VAL A 7 9.627 1.565 7.985 1.00 0.00 C ATOM 98 CG2 VAL A 7 11.267 3.370 7.431 1.00 0.00 C ATOM 0 H VAL A 7 10.546 0.139 5.500 1.00 0.00 H new ATOM 0 HA VAL A 7 9.028 1.716 5.340 1.00 0.00 H new ATOM 0 HB VAL A 7 9.187 3.461 7.066 1.00 0.00 H new ATOM 0 HG11 VAL A 7 9.601 1.950 9.004 1.00 0.00 H new ATOM 0 HG12 VAL A 7 8.653 1.148 7.730 1.00 0.00 H new ATOM 0 HG13 VAL A 7 10.386 0.786 7.910 1.00 0.00 H new ATOM 0 HG21 VAL A 7 11.185 3.731 8.456 1.00 0.00 H new ATOM 0 HG22 VAL A 7 12.084 2.652 7.363 1.00 0.00 H new ATOM 0 HG23 VAL A 7 11.466 4.210 6.766 1.00 0.00 H new ATOM 108 N CYS A 8 9.891 4.507 4.949 1.00 0.00 N ATOM 109 CA CYS A 8 9.848 5.623 4.024 1.00 0.00 C ATOM 110 C CYS A 8 10.007 6.964 4.707 1.00 0.00 C ATOM 111 O CYS A 8 9.714 7.123 5.893 1.00 0.00 O ATOM 112 CB CYS A 8 8.501 5.611 3.335 1.00 0.00 C ATOM 113 SG CYS A 8 8.070 7.157 2.468 1.00 0.00 S ATOM 0 H CYS A 8 9.672 4.751 5.915 1.00 0.00 H new ATOM 0 HA CYS A 8 10.678 5.504 3.328 1.00 0.00 H new ATOM 0 HB2 CYS A 8 8.484 4.791 2.617 1.00 0.00 H new ATOM 0 HB3 CYS A 8 7.731 5.401 4.077 1.00 0.00 H new ATOM 118 N VAL A 9 10.469 7.914 3.917 1.00 0.00 N ATOM 119 CA VAL A 9 10.365 9.321 4.216 1.00 0.00 C ATOM 120 C VAL A 9 10.144 10.024 2.887 1.00 0.00 C ATOM 121 O VAL A 9 11.076 10.244 2.111 1.00 0.00 O ATOM 122 CB VAL A 9 11.661 9.825 4.865 1.00 0.00 C ATOM 123 CG1 VAL A 9 11.670 9.542 6.358 1.00 0.00 C ATOM 124 CG2 VAL A 9 12.833 9.143 4.182 1.00 0.00 C ATOM 0 H VAL A 9 10.936 7.720 3.031 1.00 0.00 H new ATOM 0 HA VAL A 9 9.550 9.516 4.913 1.00 0.00 H new ATOM 0 HB VAL A 9 11.736 10.905 4.742 1.00 0.00 H new ATOM 0 HG11 VAL A 9 12.600 9.910 6.792 1.00 0.00 H new ATOM 0 HG12 VAL A 9 10.826 10.045 6.829 1.00 0.00 H new ATOM 0 HG13 VAL A 9 11.591 8.468 6.525 1.00 0.00 H new ATOM 0 HG21 VAL A 9 13.765 9.488 4.629 1.00 0.00 H new ATOM 0 HG22 VAL A 9 12.748 8.063 4.306 1.00 0.00 H new ATOM 0 HG23 VAL A 9 12.828 9.388 3.120 1.00 0.00 H new ATOM 134 N ASP A 10 8.909 10.357 2.628 1.00 0.00 N ATOM 135 CA ASP A 10 8.515 10.896 1.345 1.00 0.00 C ATOM 136 C ASP A 10 7.705 12.166 1.534 1.00 0.00 C ATOM 137 O ASP A 10 7.407 12.519 2.670 1.00 0.00 O ATOM 138 CB ASP A 10 7.743 9.820 0.569 1.00 0.00 C ATOM 139 CG ASP A 10 7.087 10.311 -0.713 1.00 0.00 C ATOM 140 OD1 ASP A 10 7.801 10.860 -1.579 1.00 0.00 O ATOM 141 OD2 ASP A 10 5.853 10.172 -0.849 1.00 0.00 O ATOM 0 H ASP A 10 8.144 10.264 3.297 1.00 0.00 H new ATOM 0 HA ASP A 10 9.395 11.169 0.762 1.00 0.00 H new ATOM 0 HB2 ASP A 10 8.427 9.007 0.323 1.00 0.00 H new ATOM 0 HB3 ASP A 10 6.973 9.404 1.219 1.00 0.00 H new ATOM 146 N THR A 11 7.455 12.863 0.425 1.00 0.00 N ATOM 147 CA THR A 11 6.384 13.852 0.275 1.00 0.00 C ATOM 148 C THR A 11 5.932 14.537 1.575 1.00 0.00 C ATOM 149 O THR A 11 5.378 13.923 2.485 1.00 0.00 O ATOM 150 CB THR A 11 5.193 13.156 -0.396 1.00 0.00 C ATOM 151 OG1 THR A 11 5.477 12.921 -1.782 1.00 0.00 O ATOM 152 CG2 THR A 11 3.909 13.942 -0.248 1.00 0.00 C ATOM 0 H THR A 11 8.011 12.752 -0.423 1.00 0.00 H new ATOM 0 HA THR A 11 6.787 14.663 -0.331 1.00 0.00 H new ATOM 0 HB THR A 11 5.045 12.203 0.112 1.00 0.00 H new ATOM 0 HG1 THR A 11 4.642 12.939 -2.295 1.00 0.00 H new ATOM 0 HG21 THR A 11 3.096 13.407 -0.740 1.00 0.00 H new ATOM 0 HG22 THR A 11 3.676 14.063 0.810 1.00 0.00 H new ATOM 0 HG23 THR A 11 4.028 14.923 -0.707 1.00 0.00 H new ATOM 160 N ARG A 12 6.092 15.847 1.594 1.00 0.00 N ATOM 161 CA ARG A 12 5.859 16.647 2.788 1.00 0.00 C ATOM 162 C ARG A 12 4.411 16.523 3.250 1.00 0.00 C ATOM 163 O ARG A 12 4.119 16.570 4.445 1.00 0.00 O ATOM 164 CB ARG A 12 6.190 18.108 2.512 1.00 0.00 C ATOM 165 CG ARG A 12 7.289 18.304 1.476 1.00 0.00 C ATOM 166 CD ARG A 12 8.563 17.550 1.836 1.00 0.00 C ATOM 167 NE ARG A 12 9.404 17.317 0.664 1.00 0.00 N ATOM 168 CZ ARG A 12 10.213 16.266 0.522 1.00 0.00 C ATOM 169 NH1 ARG A 12 10.341 15.388 1.508 1.00 0.00 N ATOM 170 NH2 ARG A 12 10.900 16.100 -0.600 1.00 0.00 N ATOM 0 H ARG A 12 6.387 16.390 0.782 1.00 0.00 H new ATOM 0 HA ARG A 12 6.508 16.274 3.580 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.288 18.617 2.172 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.493 18.585 3.444 1.00 0.00 H new ATOM 0 HG2 ARG A 12 6.932 17.967 0.503 1.00 0.00 H new ATOM 0 HG3 ARG A 12 7.512 19.367 1.383 1.00 0.00 H new ATOM 0 HD2 ARG A 12 9.124 18.117 2.579 1.00 0.00 H new ATOM 0 HD3 ARG A 12 8.304 16.595 2.293 1.00 0.00 H new ATOM 0 HE ARG A 12 9.370 18.000 -0.092 1.00 0.00 H new ATOM 0 HH11 ARG A 12 9.821 15.516 2.376 1.00 0.00 H new ATOM 0 HH12 ARG A 12 10.960 14.585 1.398 1.00 0.00 H new ATOM 0 HH21 ARG A 12 10.811 16.777 -1.358 1.00 0.00 H new ATOM 0 HH22 ARG A 12 11.518 15.295 -0.705 1.00 0.00 H new ATOM 184 N ASP A 13 3.509 16.366 2.293 1.00 0.00 N ATOM 185 CA ASP A 13 2.094 16.186 2.606 1.00 0.00 C ATOM 186 C ASP A 13 1.525 14.963 1.894 1.00 0.00 C ATOM 187 O ASP A 13 0.945 15.068 0.812 1.00 0.00 O ATOM 188 CB ASP A 13 1.297 17.437 2.226 1.00 0.00 C ATOM 189 CG ASP A 13 -0.166 17.345 2.624 1.00 0.00 C ATOM 190 OD1 ASP A 13 -0.468 17.474 3.826 1.00 0.00 O ATOM 191 OD2 ASP A 13 -1.022 17.163 1.730 1.00 0.00 O ATOM 0 H ASP A 13 3.727 16.359 1.297 1.00 0.00 H new ATOM 0 HA ASP A 13 2.007 16.026 3.681 1.00 0.00 H new ATOM 0 HB2 ASP A 13 1.745 18.307 2.705 1.00 0.00 H new ATOM 0 HB3 ASP A 13 1.367 17.594 1.150 1.00 0.00 H new ATOM 196 N ILE A 14 1.727 13.801 2.495 1.00 0.00 N ATOM 197 CA ILE A 14 1.138 12.567 1.999 1.00 0.00 C ATOM 198 C ILE A 14 -0.294 12.467 2.496 1.00 0.00 C ATOM 199 O ILE A 14 -0.581 12.817 3.641 1.00 0.00 O ATOM 200 CB ILE A 14 1.953 11.338 2.467 1.00 0.00 C ATOM 201 CG1 ILE A 14 3.343 11.381 1.856 1.00 0.00 C ATOM 202 CG2 ILE A 14 1.266 10.029 2.092 1.00 0.00 C ATOM 203 CD1 ILE A 14 4.429 11.009 2.822 1.00 0.00 C ATOM 0 H ILE A 14 2.298 13.687 3.332 1.00 0.00 H new ATOM 0 HA ILE A 14 1.150 12.580 0.909 1.00 0.00 H new ATOM 0 HB ILE A 14 2.024 11.379 3.554 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.378 10.704 1.003 1.00 0.00 H new ATOM 0 HG13 ILE A 14 3.534 12.384 1.475 1.00 0.00 H new ATOM 0 HG21 ILE A 14 1.869 9.189 2.438 1.00 0.00 H new ATOM 0 HG22 ILE A 14 0.283 9.987 2.561 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.154 9.974 1.009 1.00 0.00 H new ATOM 0 HD11 ILE A 14 5.395 11.060 2.320 1.00 0.00 H new ATOM 0 HD12 ILE A 14 4.420 11.701 3.664 1.00 0.00 H new ATOM 0 HD13 ILE A 14 4.262 9.995 3.184 1.00 0.00 H new ATOM 215 N PRO A 15 -1.212 12.016 1.634 1.00 0.00 N ATOM 216 CA PRO A 15 -2.632 11.910 1.971 1.00 0.00 C ATOM 217 C PRO A 15 -2.863 11.055 3.214 1.00 0.00 C ATOM 218 O PRO A 15 -2.100 10.138 3.508 1.00 0.00 O ATOM 219 CB PRO A 15 -3.227 11.245 0.737 1.00 0.00 C ATOM 220 CG PRO A 15 -2.297 11.607 -0.359 1.00 0.00 C ATOM 221 CD PRO A 15 -0.946 11.552 0.260 1.00 0.00 C ATOM 0 HA PRO A 15 -3.079 12.875 2.207 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -3.294 10.164 0.861 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -4.236 11.606 0.538 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -2.379 10.911 -1.194 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -2.513 12.601 -0.750 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -0.532 10.544 0.244 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -0.235 12.197 -0.257 1.00 0.00 H new ATOM 229 N LYS A 16 -3.938 11.365 3.926 1.00 0.00 N ATOM 230 CA LYS A 16 -4.225 10.770 5.224 1.00 0.00 C ATOM 231 C LYS A 16 -4.484 9.279 5.119 1.00 0.00 C ATOM 232 O LYS A 16 -4.065 8.498 5.969 1.00 0.00 O ATOM 233 CB LYS A 16 -5.425 11.487 5.846 1.00 0.00 C ATOM 234 CG LYS A 16 -5.904 10.884 7.153 1.00 0.00 C ATOM 235 CD LYS A 16 -7.098 9.966 6.943 1.00 0.00 C ATOM 236 CE LYS A 16 -7.606 9.368 8.244 1.00 0.00 C ATOM 237 NZ LYS A 16 -8.791 8.491 8.024 1.00 0.00 N ATOM 0 H LYS A 16 -4.639 12.039 3.618 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.350 10.892 5.863 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.161 12.531 6.016 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.249 11.478 5.132 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -5.091 10.324 7.615 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -6.175 11.682 7.844 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -7.903 10.525 6.465 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -6.819 9.162 6.262 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -6.810 8.792 8.715 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -7.870 10.170 8.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -8.718 7.650 8.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -9.658 9.014 8.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -8.825 8.197 7.027 1.00 0.00 H new ATOM 251 N ASN A 17 -5.166 8.901 4.068 1.00 0.00 N ATOM 252 CA ASN A 17 -5.523 7.513 3.841 1.00 0.00 C ATOM 253 C ASN A 17 -4.523 6.923 2.872 1.00 0.00 C ATOM 254 O ASN A 17 -4.803 5.997 2.113 1.00 0.00 O ATOM 255 CB ASN A 17 -6.939 7.445 3.284 1.00 0.00 C ATOM 256 CG ASN A 17 -7.901 8.266 4.114 1.00 0.00 C ATOM 257 OD1 ASN A 17 -8.632 7.749 4.955 1.00 0.00 O ATOM 258 ND2 ASN A 17 -7.851 9.570 3.909 1.00 0.00 N ATOM 0 H ASN A 17 -5.492 9.541 3.343 1.00 0.00 H new ATOM 0 HA ASN A 17 -5.499 6.943 4.770 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -6.944 7.806 2.256 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -7.272 6.407 3.259 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -8.437 10.196 4.462 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -7.227 9.951 3.198 1.00 0.00 H new ATOM 265 N ALA A 18 -3.351 7.514 2.903 1.00 0.00 N ATOM 266 CA ALA A 18 -2.262 7.140 2.036 1.00 0.00 C ATOM 267 C ALA A 18 -1.010 6.886 2.840 1.00 0.00 C ATOM 268 O ALA A 18 -0.835 7.422 3.935 1.00 0.00 O ATOM 269 CB ALA A 18 -1.997 8.230 1.020 1.00 0.00 C ATOM 0 H ALA A 18 -3.126 8.278 3.540 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.543 6.225 1.514 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.172 7.932 0.373 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -2.891 8.391 0.417 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.737 9.154 1.537 1.00 0.00 H new ATOM 275 N GLY A 19 -0.157 6.058 2.296 1.00 0.00 N ATOM 276 CA GLY A 19 1.112 5.796 2.912 1.00 0.00 C ATOM 277 C GLY A 19 2.233 5.961 1.932 1.00 0.00 C ATOM 278 O GLY A 19 2.051 5.760 0.734 1.00 0.00 O ATOM 0 H GLY A 19 -0.321 5.553 1.425 1.00 0.00 H new ATOM 0 HA2 GLY A 19 1.258 6.474 3.753 1.00 0.00 H new ATOM 0 HA3 GLY A 19 1.122 4.783 3.313 1.00 0.00 H new ATOM 282 N CYS A 20 3.394 6.309 2.435 1.00 0.00 N ATOM 283 CA CYS A 20 4.517 6.619 1.587 1.00 0.00 C ATOM 284 C CYS A 20 5.543 5.515 1.659 1.00 0.00 C ATOM 285 O CYS A 20 5.639 4.803 2.663 1.00 0.00 O ATOM 286 CB CYS A 20 5.162 7.935 2.003 1.00 0.00 C ATOM 287 SG CYS A 20 6.358 7.785 3.376 1.00 0.00 S ATOM 0 H CYS A 20 3.584 6.384 3.434 1.00 0.00 H new ATOM 0 HA CYS A 20 4.152 6.712 0.564 1.00 0.00 H new ATOM 0 HB2 CYS A 20 5.669 8.366 1.140 1.00 0.00 H new ATOM 0 HB3 CYS A 20 4.378 8.634 2.294 1.00 0.00 H new ATOM 292 N PHE A 21 6.270 5.340 0.582 1.00 0.00 N ATOM 293 CA PHE A 21 7.394 4.439 0.572 1.00 0.00 C ATOM 294 C PHE A 21 8.631 5.100 0.004 1.00 0.00 C ATOM 295 O PHE A 21 8.566 5.846 -0.957 1.00 0.00 O ATOM 296 CB PHE A 21 7.095 3.179 -0.199 1.00 0.00 C ATOM 297 CG PHE A 21 8.302 2.328 -0.379 1.00 0.00 C ATOM 298 CD1 PHE A 21 8.918 1.837 0.726 1.00 0.00 C ATOM 299 CD2 PHE A 21 8.816 2.019 -1.625 1.00 0.00 C ATOM 300 CE1 PHE A 21 10.029 1.047 0.632 1.00 0.00 C ATOM 301 CE2 PHE A 21 9.935 1.226 -1.733 1.00 0.00 C ATOM 302 CZ PHE A 21 10.539 0.738 -0.590 1.00 0.00 C ATOM 0 H PHE A 21 6.100 5.814 -0.305 1.00 0.00 H new ATOM 0 HA PHE A 21 7.584 4.172 1.611 1.00 0.00 H new ATOM 0 HB2 PHE A 21 6.326 2.610 0.323 1.00 0.00 H new ATOM 0 HB3 PHE A 21 6.689 3.441 -1.176 1.00 0.00 H new ATOM 0 HD1 PHE A 21 8.521 2.076 1.702 1.00 0.00 H new ATOM 0 HD2 PHE A 21 8.338 2.401 -2.515 1.00 0.00 H new ATOM 0 HE1 PHE A 21 10.501 0.669 1.527 1.00 0.00 H new ATOM 0 HE2 PHE A 21 10.339 0.986 -2.705 1.00 0.00 H new ATOM 0 HZ PHE A 21 11.415 0.112 -0.667 1.00 0.00 H new ATOM 312 N ARG A 22 9.748 4.821 0.634 1.00 0.00 N ATOM 313 CA ARG A 22 11.029 5.291 0.172 1.00 0.00 C ATOM 314 C ARG A 22 12.034 4.180 0.352 1.00 0.00 C ATOM 315 O ARG A 22 12.415 3.853 1.475 1.00 0.00 O ATOM 316 CB ARG A 22 11.457 6.546 0.921 1.00 0.00 C ATOM 317 CG ARG A 22 12.892 6.958 0.636 1.00 0.00 C ATOM 318 CD ARG A 22 13.744 6.813 1.876 1.00 0.00 C ATOM 319 NE ARG A 22 14.952 6.042 1.615 1.00 0.00 N ATOM 320 CZ ARG A 22 16.095 6.177 2.289 1.00 0.00 C ATOM 321 NH1 ARG A 22 16.215 7.120 3.220 1.00 0.00 N ATOM 322 NH2 ARG A 22 17.118 5.375 2.018 1.00 0.00 N ATOM 0 H ARG A 22 9.792 4.259 1.484 1.00 0.00 H new ATOM 0 HA ARG A 22 10.964 5.561 -0.882 1.00 0.00 H new ATOM 0 HB2 ARG A 22 10.791 7.366 0.652 1.00 0.00 H new ATOM 0 HB3 ARG A 22 11.340 6.379 1.992 1.00 0.00 H new ATOM 0 HG2 ARG A 22 13.300 6.343 -0.166 1.00 0.00 H new ATOM 0 HG3 ARG A 22 12.917 7.991 0.290 1.00 0.00 H new ATOM 0 HD2 ARG A 22 14.016 7.801 2.247 1.00 0.00 H new ATOM 0 HD3 ARG A 22 13.164 6.326 2.660 1.00 0.00 H new ATOM 0 HE ARG A 22 14.922 5.351 0.865 1.00 0.00 H new ATOM 0 HH11 ARG A 22 15.432 7.742 3.420 1.00 0.00 H new ATOM 0 HH12 ARG A 22 17.090 7.221 3.734 1.00 0.00 H new ATOM 0 HH21 ARG A 22 17.028 4.659 1.297 1.00 0.00 H new ATOM 0 HH22 ARG A 22 17.994 5.475 2.531 1.00 0.00 H new ATOM 336 N ASP A 23 12.447 3.581 -0.744 1.00 0.00 N ATOM 337 CA ASP A 23 13.240 2.377 -0.655 1.00 0.00 C ATOM 338 C ASP A 23 14.685 2.678 -0.274 1.00 0.00 C ATOM 339 O ASP A 23 15.039 3.830 -0.010 1.00 0.00 O ATOM 340 CB ASP A 23 13.170 1.541 -1.936 1.00 0.00 C ATOM 341 CG ASP A 23 13.778 2.208 -3.154 1.00 0.00 C ATOM 342 OD1 ASP A 23 14.493 3.209 -3.000 1.00 0.00 O ATOM 343 OD2 ASP A 23 13.533 1.730 -4.276 1.00 0.00 O ATOM 0 H ASP A 23 12.250 3.902 -1.692 1.00 0.00 H new ATOM 0 HA ASP A 23 12.804 1.778 0.145 1.00 0.00 H new ATOM 0 HB2 ASP A 23 13.679 0.593 -1.764 1.00 0.00 H new ATOM 0 HB3 ASP A 23 12.126 1.309 -2.147 1.00 0.00 H new ATOM 348 N ASP A 24 15.521 1.651 -0.260 1.00 0.00 N ATOM 349 CA ASP A 24 16.917 1.813 0.126 1.00 0.00 C ATOM 350 C ASP A 24 17.678 2.592 -0.946 1.00 0.00 C ATOM 351 O ASP A 24 18.712 3.200 -0.681 1.00 0.00 O ATOM 352 CB ASP A 24 17.558 0.447 0.359 1.00 0.00 C ATOM 353 CG ASP A 24 18.955 0.545 0.932 1.00 0.00 C ATOM 354 OD1 ASP A 24 19.110 1.130 2.026 1.00 0.00 O ATOM 355 OD2 ASP A 24 19.896 0.016 0.310 1.00 0.00 O ATOM 0 H ASP A 24 15.259 0.698 -0.511 1.00 0.00 H new ATOM 0 HA ASP A 24 16.963 2.380 1.056 1.00 0.00 H new ATOM 0 HB2 ASP A 24 16.932 -0.132 1.038 1.00 0.00 H new ATOM 0 HB3 ASP A 24 17.595 -0.098 -0.584 1.00 0.00 H new ATOM 360 N ASP A 25 17.127 2.597 -2.149 1.00 0.00 N ATOM 361 CA ASP A 25 17.733 3.278 -3.278 1.00 0.00 C ATOM 362 C ASP A 25 17.474 4.778 -3.204 1.00 0.00 C ATOM 363 O ASP A 25 18.262 5.583 -3.706 1.00 0.00 O ATOM 364 CB ASP A 25 17.153 2.726 -4.579 1.00 0.00 C ATOM 365 CG ASP A 25 17.363 1.234 -4.726 1.00 0.00 C ATOM 366 OD1 ASP A 25 16.675 0.458 -4.025 1.00 0.00 O ATOM 367 OD2 ASP A 25 18.204 0.822 -5.552 1.00 0.00 O ATOM 0 H ASP A 25 16.248 2.129 -2.369 1.00 0.00 H new ATOM 0 HA ASP A 25 18.809 3.107 -3.250 1.00 0.00 H new ATOM 0 HB2 ASP A 25 16.086 2.944 -4.617 1.00 0.00 H new ATOM 0 HB3 ASP A 25 17.614 3.238 -5.424 1.00 0.00 H new ATOM 372 N GLY A 26 16.369 5.146 -2.573 1.00 0.00 N ATOM 373 CA GLY A 26 15.982 6.538 -2.487 1.00 0.00 C ATOM 374 C GLY A 26 14.716 6.803 -3.272 1.00 0.00 C ATOM 375 O GLY A 26 14.315 7.951 -3.455 1.00 0.00 O ATOM 0 H GLY A 26 15.728 4.498 -2.115 1.00 0.00 H new ATOM 0 HA2 GLY A 26 15.830 6.812 -1.443 1.00 0.00 H new ATOM 0 HA3 GLY A 26 16.787 7.166 -2.867 1.00 0.00 H new ATOM 379 N THR A 27 14.099 5.730 -3.741 1.00 0.00 N ATOM 380 CA THR A 27 12.852 5.810 -4.482 1.00 0.00 C ATOM 381 C THR A 27 11.693 6.143 -3.548 1.00 0.00 C ATOM 382 O THR A 27 11.389 5.374 -2.638 1.00 0.00 O ATOM 383 CB THR A 27 12.565 4.461 -5.156 1.00 0.00 C ATOM 384 OG1 THR A 27 13.726 4.014 -5.868 1.00 0.00 O ATOM 385 CG2 THR A 27 11.377 4.545 -6.101 1.00 0.00 C ATOM 0 H THR A 27 14.449 4.780 -3.618 1.00 0.00 H new ATOM 0 HA THR A 27 12.949 6.595 -5.232 1.00 0.00 H new ATOM 0 HB THR A 27 12.317 3.744 -4.373 1.00 0.00 H new ATOM 0 HG1 THR A 27 13.963 3.110 -5.573 1.00 0.00 H new ATOM 0 HG21 THR A 27 11.206 3.570 -6.558 1.00 0.00 H new ATOM 0 HG22 THR A 27 10.489 4.845 -5.544 1.00 0.00 H new ATOM 0 HG23 THR A 27 11.583 5.280 -6.879 1.00 0.00 H new ATOM 393 N GLU A 28 11.042 7.268 -3.784 1.00 0.00 N ATOM 394 CA GLU A 28 9.942 7.711 -2.938 1.00 0.00 C ATOM 395 C GLU A 28 8.627 7.736 -3.709 1.00 0.00 C ATOM 396 O GLU A 28 8.522 8.359 -4.766 1.00 0.00 O ATOM 397 CB GLU A 28 10.250 9.095 -2.365 1.00 0.00 C ATOM 398 CG GLU A 28 11.322 9.097 -1.282 1.00 0.00 C ATOM 399 CD GLU A 28 11.979 10.452 -1.120 1.00 0.00 C ATOM 400 OE1 GLU A 28 11.268 11.478 -1.140 1.00 0.00 O ATOM 401 OE2 GLU A 28 13.224 10.504 -0.996 1.00 0.00 O ATOM 0 H GLU A 28 11.256 7.896 -4.558 1.00 0.00 H new ATOM 0 HA GLU A 28 9.834 7.000 -2.119 1.00 0.00 H new ATOM 0 HB2 GLU A 28 10.568 9.750 -3.177 1.00 0.00 H new ATOM 0 HB3 GLU A 28 9.333 9.518 -1.954 1.00 0.00 H new ATOM 0 HG2 GLU A 28 10.876 8.797 -0.334 1.00 0.00 H new ATOM 0 HG3 GLU A 28 12.082 8.355 -1.526 1.00 0.00 H new ATOM 408 N GLU A 29 7.643 7.021 -3.182 1.00 0.00 N ATOM 409 CA GLU A 29 6.320 6.953 -3.778 1.00 0.00 C ATOM 410 C GLU A 29 5.281 6.753 -2.695 1.00 0.00 C ATOM 411 O GLU A 29 5.449 5.896 -1.834 1.00 0.00 O ATOM 412 CB GLU A 29 6.245 5.788 -4.763 1.00 0.00 C ATOM 413 CG GLU A 29 4.825 5.377 -5.133 1.00 0.00 C ATOM 414 CD GLU A 29 4.793 4.126 -5.981 1.00 0.00 C ATOM 415 OE1 GLU A 29 4.932 3.021 -5.417 1.00 0.00 O ATOM 416 OE2 GLU A 29 4.621 4.236 -7.212 1.00 0.00 O ATOM 0 H GLU A 29 7.742 6.472 -2.328 1.00 0.00 H new ATOM 0 HA GLU A 29 6.127 7.886 -4.307 1.00 0.00 H new ATOM 0 HB2 GLU A 29 6.782 6.060 -5.672 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.760 4.929 -4.333 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.248 5.211 -4.223 1.00 0.00 H new ATOM 0 HG3 GLU A 29 4.342 6.192 -5.673 1.00 0.00 H new ATOM 423 N TRP A 30 4.217 7.525 -2.722 1.00 0.00 N ATOM 424 CA TRP A 30 3.118 7.257 -1.827 1.00 0.00 C ATOM 425 C TRP A 30 1.967 6.610 -2.585 1.00 0.00 C ATOM 426 O TRP A 30 1.792 6.818 -3.786 1.00 0.00 O ATOM 427 CB TRP A 30 2.662 8.511 -1.074 1.00 0.00 C ATOM 428 CG TRP A 30 2.094 9.603 -1.920 1.00 0.00 C ATOM 429 CD1 TRP A 30 2.699 10.775 -2.250 1.00 0.00 C ATOM 430 CD2 TRP A 30 0.796 9.637 -2.518 1.00 0.00 C ATOM 431 NE1 TRP A 30 1.855 11.544 -3.015 1.00 0.00 N ATOM 432 CE2 TRP A 30 0.680 10.862 -3.194 1.00 0.00 C ATOM 433 CE3 TRP A 30 -0.278 8.746 -2.548 1.00 0.00 C ATOM 434 CZ2 TRP A 30 -0.473 11.223 -3.886 1.00 0.00 C ATOM 435 CZ3 TRP A 30 -1.419 9.105 -3.240 1.00 0.00 C ATOM 436 CH2 TRP A 30 -1.507 10.334 -3.900 1.00 0.00 C ATOM 0 H TRP A 30 4.091 8.326 -3.340 1.00 0.00 H new ATOM 0 HA TRP A 30 3.471 6.557 -1.069 1.00 0.00 H new ATOM 0 HB2 TRP A 30 1.912 8.219 -0.339 1.00 0.00 H new ATOM 0 HB3 TRP A 30 3.512 8.910 -0.521 1.00 0.00 H new ATOM 0 HD1 TRP A 30 3.698 11.060 -1.954 1.00 0.00 H new ATOM 0 HE1 TRP A 30 2.068 12.469 -3.388 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -0.218 7.795 -2.040 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -0.546 12.173 -4.394 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -2.257 8.424 -3.271 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -2.413 10.585 -4.432 1.00 0.00 H new ATOM 447 N ARG A 31 1.203 5.820 -1.863 1.00 0.00 N ATOM 448 CA ARG A 31 0.088 5.063 -2.412 1.00 0.00 C ATOM 449 C ARG A 31 -1.087 5.171 -1.467 1.00 0.00 C ATOM 450 O ARG A 31 -0.992 5.811 -0.424 1.00 0.00 O ATOM 451 CB ARG A 31 0.430 3.586 -2.612 1.00 0.00 C ATOM 452 CG ARG A 31 1.544 3.319 -3.604 1.00 0.00 C ATOM 453 CD ARG A 31 1.615 1.845 -3.976 1.00 0.00 C ATOM 454 NE ARG A 31 2.814 1.544 -4.754 1.00 0.00 N ATOM 455 CZ ARG A 31 3.033 0.407 -5.406 1.00 0.00 C ATOM 456 NH1 ARG A 31 2.211 -0.628 -5.265 1.00 0.00 N ATOM 457 NH2 ARG A 31 4.106 0.297 -6.172 1.00 0.00 N ATOM 0 H ARG A 31 1.337 5.680 -0.862 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.150 5.483 -3.389 1.00 0.00 H new ATOM 0 HB2 ARG A 31 0.710 3.159 -1.649 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -0.466 3.062 -2.944 1.00 0.00 H new ATOM 0 HG2 ARG A 31 1.384 3.915 -4.502 1.00 0.00 H new ATOM 0 HG3 ARG A 31 2.496 3.634 -3.178 1.00 0.00 H new ATOM 0 HD2 ARG A 31 1.607 1.240 -3.070 1.00 0.00 H new ATOM 0 HD3 ARG A 31 0.730 1.571 -4.550 1.00 0.00 H new ATOM 0 HE ARG A 31 3.538 2.261 -4.800 1.00 0.00 H new ATOM 0 HH11 ARG A 31 1.400 -0.555 -4.650 1.00 0.00 H new ATOM 0 HH12 ARG A 31 2.391 -1.495 -5.771 1.00 0.00 H new ATOM 0 HH21 ARG A 31 4.754 1.080 -6.257 1.00 0.00 H new ATOM 0 HH22 ARG A 31 4.285 -0.571 -6.677 1.00 0.00 H new ATOM 471 N CYS A 32 -2.171 4.505 -1.803 1.00 0.00 N ATOM 472 CA CYS A 32 -3.387 4.597 -1.020 1.00 0.00 C ATOM 473 C CYS A 32 -3.578 3.283 -0.312 1.00 0.00 C ATOM 474 O CYS A 32 -3.490 2.221 -0.925 1.00 0.00 O ATOM 475 CB CYS A 32 -4.599 4.850 -1.924 1.00 0.00 C ATOM 476 SG CYS A 32 -4.440 6.324 -2.977 1.00 0.00 S ATOM 0 H CYS A 32 -2.236 3.892 -2.616 1.00 0.00 H new ATOM 0 HA CYS A 32 -3.303 5.423 -0.314 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -4.755 3.978 -2.559 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -5.488 4.954 -1.302 1.00 0.00 H new ATOM 481 N LEU A 33 -3.787 3.374 0.998 1.00 0.00 N ATOM 482 CA LEU A 33 -3.787 2.209 1.860 1.00 0.00 C ATOM 483 C LEU A 33 -4.843 1.210 1.417 1.00 0.00 C ATOM 484 O LEU A 33 -5.740 1.528 0.640 1.00 0.00 O ATOM 485 CB LEU A 33 -4.017 2.604 3.321 1.00 0.00 C ATOM 486 CG LEU A 33 -3.110 3.699 3.898 1.00 0.00 C ATOM 487 CD1 LEU A 33 -3.101 3.625 5.414 1.00 0.00 C ATOM 488 CD2 LEU A 33 -1.694 3.616 3.359 1.00 0.00 C ATOM 0 H LEU A 33 -3.960 4.254 1.484 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.806 1.740 1.781 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.051 2.932 3.424 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.903 1.711 3.935 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.519 4.659 3.584 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.454 4.407 5.813 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.114 3.765 5.791 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.728 2.650 5.728 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.091 4.411 3.797 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.262 2.649 3.618 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.710 3.728 2.275 1.00 0.00 H new ATOM 500 N LEU A 34 -4.733 0.011 1.931 1.00 0.00 N ATOM 501 CA LEU A 34 -5.513 -1.102 1.463 1.00 0.00 C ATOM 502 C LEU A 34 -6.988 -0.927 1.772 1.00 0.00 C ATOM 503 O LEU A 34 -7.374 -0.620 2.896 1.00 0.00 O ATOM 504 CB LEU A 34 -4.945 -2.372 2.076 1.00 0.00 C ATOM 505 CG LEU A 34 -3.450 -2.530 1.821 1.00 0.00 C ATOM 506 CD1 LEU A 34 -2.925 -3.818 2.420 1.00 0.00 C ATOM 507 CD2 LEU A 34 -3.173 -2.460 0.331 1.00 0.00 C ATOM 0 H LEU A 34 -4.094 -0.220 2.692 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.448 -1.165 0.377 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.128 -2.365 3.151 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.472 -3.235 1.669 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.923 -1.711 2.311 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.857 -3.902 2.222 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.095 -3.814 3.497 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.445 -4.665 1.973 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.103 -2.573 0.154 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.712 -3.260 -0.177 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.505 -1.496 -0.056 1.00 0.00 H new ATOM 519 N GLY A 35 -7.800 -1.095 0.739 1.00 0.00 N ATOM 520 CA GLY A 35 -9.225 -0.914 0.875 1.00 0.00 C ATOM 521 C GLY A 35 -9.632 0.521 0.638 1.00 0.00 C ATOM 522 O GLY A 35 -10.803 0.891 0.806 1.00 0.00 O ATOM 0 H GLY A 35 -7.491 -1.356 -0.198 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.743 -1.561 0.167 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -9.537 -1.220 1.873 1.00 0.00 H new ATOM 526 N TYR A 36 -8.661 1.340 0.261 1.00 0.00 N ATOM 527 CA TYR A 36 -8.893 2.751 0.023 1.00 0.00 C ATOM 528 C TYR A 36 -8.865 3.037 -1.469 1.00 0.00 C ATOM 529 O TYR A 36 -8.785 2.118 -2.282 1.00 0.00 O ATOM 530 CB TYR A 36 -7.839 3.598 0.733 1.00 0.00 C ATOM 531 CG TYR A 36 -7.817 3.446 2.246 1.00 0.00 C ATOM 532 CD1 TYR A 36 -8.619 2.522 2.904 1.00 0.00 C ATOM 533 CD2 TYR A 36 -6.977 4.230 3.009 1.00 0.00 C ATOM 534 CE1 TYR A 36 -8.579 2.388 4.278 1.00 0.00 C ATOM 535 CE2 TYR A 36 -6.927 4.104 4.384 1.00 0.00 C ATOM 536 CZ TYR A 36 -7.731 3.183 5.013 1.00 0.00 C ATOM 537 OH TYR A 36 -7.687 3.054 6.383 1.00 0.00 O ATOM 0 H TYR A 36 -7.696 1.044 0.113 1.00 0.00 H new ATOM 0 HA TYR A 36 -9.874 3.011 0.421 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -6.857 3.336 0.341 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -8.010 4.646 0.489 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -9.287 1.896 2.330 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -6.345 4.958 2.521 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -9.210 1.664 4.772 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -6.260 4.726 4.962 1.00 0.00 H new ATOM 0 HH TYR A 36 -7.036 3.688 6.751 1.00 0.00 H new ATOM 547 N LYS A 37 -8.948 4.306 -1.822 1.00 0.00 N ATOM 548 CA LYS A 37 -8.993 4.709 -3.211 1.00 0.00 C ATOM 549 C LYS A 37 -8.370 6.081 -3.380 1.00 0.00 C ATOM 550 O LYS A 37 -8.048 6.751 -2.396 1.00 0.00 O ATOM 551 CB LYS A 37 -10.439 4.744 -3.685 1.00 0.00 C ATOM 552 CG LYS A 37 -11.309 5.715 -2.913 1.00 0.00 C ATOM 553 CD LYS A 37 -12.753 5.629 -3.356 1.00 0.00 C ATOM 554 CE LYS A 37 -13.618 6.637 -2.623 1.00 0.00 C ATOM 555 NZ LYS A 37 -15.005 6.680 -3.154 1.00 0.00 N ATOM 0 H LYS A 37 -8.986 5.080 -1.158 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.430 3.990 -3.806 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -10.460 5.012 -4.741 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.864 3.744 -3.602 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -11.240 5.500 -1.847 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -10.941 6.731 -3.058 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -12.817 5.805 -4.430 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -13.131 4.623 -3.175 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -13.645 6.387 -1.562 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -13.169 7.627 -2.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -15.558 7.382 -2.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -14.984 6.945 -4.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -15.445 5.743 -3.052 1.00 0.00 H new ATOM 569 N LYS A 38 -8.215 6.491 -4.624 1.00 0.00 N ATOM 570 CA LYS A 38 -7.698 7.812 -4.936 1.00 0.00 C ATOM 571 C LYS A 38 -8.866 8.763 -5.145 1.00 0.00 C ATOM 572 O LYS A 38 -9.800 8.456 -5.886 1.00 0.00 O ATOM 573 CB LYS A 38 -6.822 7.764 -6.189 1.00 0.00 C ATOM 574 CG LYS A 38 -5.905 8.964 -6.335 1.00 0.00 C ATOM 575 CD LYS A 38 -4.751 8.906 -5.350 1.00 0.00 C ATOM 576 CE LYS A 38 -3.576 8.126 -5.913 1.00 0.00 C ATOM 577 NZ LYS A 38 -3.839 6.666 -5.975 1.00 0.00 N ATOM 0 H LYS A 38 -8.441 5.924 -5.441 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.083 8.164 -4.108 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.218 6.857 -6.166 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -7.463 7.698 -7.068 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -5.515 9.003 -7.352 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -6.474 9.880 -6.176 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.432 9.918 -5.102 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -5.086 8.442 -4.423 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -3.346 8.493 -6.913 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -2.695 8.307 -5.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -2.936 6.151 -6.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -4.380 6.375 -5.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -4.385 6.448 -6.833 1.00 0.00 H new ATOM 591 N GLY A 39 -8.816 9.902 -4.482 1.00 0.00 N ATOM 592 CA GLY A 39 -9.945 10.802 -4.494 1.00 0.00 C ATOM 593 C GLY A 39 -9.748 12.006 -5.387 1.00 0.00 C ATOM 594 O GLY A 39 -9.726 11.895 -6.614 1.00 0.00 O ATOM 0 H GLY A 39 -8.016 10.220 -3.936 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -10.830 10.257 -4.822 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -10.139 11.142 -3.477 1.00 0.00 H new ATOM 598 N GLU A 40 -9.600 13.154 -4.754 1.00 0.00 N ATOM 599 CA GLU A 40 -9.487 14.433 -5.436 1.00 0.00 C ATOM 600 C GLU A 40 -8.056 14.677 -5.920 1.00 0.00 C ATOM 601 O GLU A 40 -7.386 15.610 -5.473 1.00 0.00 O ATOM 602 CB GLU A 40 -9.923 15.543 -4.473 1.00 0.00 C ATOM 603 CG GLU A 40 -9.200 15.488 -3.131 1.00 0.00 C ATOM 604 CD GLU A 40 -9.745 16.473 -2.121 1.00 0.00 C ATOM 605 OE1 GLU A 40 -10.734 16.138 -1.437 1.00 0.00 O ATOM 606 OE2 GLU A 40 -9.181 17.581 -2.000 1.00 0.00 O ATOM 0 H GLU A 40 -9.554 13.227 -3.738 1.00 0.00 H new ATOM 0 HA GLU A 40 -10.132 14.429 -6.315 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -9.740 16.512 -4.938 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.997 15.468 -4.304 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -9.278 14.480 -2.724 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.140 15.687 -3.288 1.00 0.00 H new ATOM 613 N GLY A 41 -7.580 13.832 -6.817 1.00 0.00 N ATOM 614 CA GLY A 41 -6.241 13.999 -7.340 1.00 0.00 C ATOM 615 C GLY A 41 -5.211 13.257 -6.515 1.00 0.00 C ATOM 616 O GLY A 41 -5.289 12.040 -6.364 1.00 0.00 O ATOM 0 H GLY A 41 -8.094 13.035 -7.193 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -6.207 13.641 -8.369 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -5.991 15.060 -7.363 1.00 0.00 H new ATOM 620 N ASN A 42 -4.259 13.991 -5.956 1.00 0.00 N ATOM 621 CA ASN A 42 -3.214 13.396 -5.119 1.00 0.00 C ATOM 622 C ASN A 42 -3.727 13.148 -3.705 1.00 0.00 C ATOM 623 O ASN A 42 -3.159 13.623 -2.723 1.00 0.00 O ATOM 624 CB ASN A 42 -1.964 14.291 -5.090 1.00 0.00 C ATOM 625 CG ASN A 42 -2.274 15.741 -4.749 1.00 0.00 C ATOM 626 OD1 ASN A 42 -2.562 16.550 -5.627 1.00 0.00 O ATOM 627 ND2 ASN A 42 -2.213 16.083 -3.472 1.00 0.00 N ATOM 0 H ASN A 42 -4.185 15.002 -6.064 1.00 0.00 H new ATOM 0 HA ASN A 42 -2.939 12.436 -5.555 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -1.258 13.895 -4.359 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -1.473 14.250 -6.062 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -2.408 17.044 -3.192 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -1.971 15.386 -2.768 1.00 0.00 H new ATOM 634 N THR A 43 -4.797 12.379 -3.608 1.00 0.00 N ATOM 635 CA THR A 43 -5.434 12.109 -2.336 1.00 0.00 C ATOM 636 C THR A 43 -5.919 10.681 -2.250 1.00 0.00 C ATOM 637 O THR A 43 -6.421 10.122 -3.218 1.00 0.00 O ATOM 638 CB THR A 43 -6.632 13.025 -2.111 1.00 0.00 C ATOM 639 OG1 THR A 43 -7.324 13.198 -3.341 1.00 0.00 O ATOM 640 CG2 THR A 43 -6.191 14.366 -1.570 1.00 0.00 C ATOM 0 H THR A 43 -5.245 11.927 -4.405 1.00 0.00 H new ATOM 0 HA THR A 43 -4.678 12.288 -1.572 1.00 0.00 H new ATOM 0 HB THR A 43 -7.295 12.567 -1.376 1.00 0.00 H new ATOM 0 HG1 THR A 43 -7.387 12.337 -3.805 1.00 0.00 H new ATOM 0 HG21 THR A 43 -7.063 15.002 -1.418 1.00 0.00 H new ATOM 0 HG22 THR A 43 -5.676 14.224 -0.620 1.00 0.00 H new ATOM 0 HG23 THR A 43 -5.516 14.841 -2.281 1.00 0.00 H new ATOM 648 N CYS A 44 -5.781 10.102 -1.086 1.00 0.00 N ATOM 649 CA CYS A 44 -6.303 8.780 -0.851 1.00 0.00 C ATOM 650 C CYS A 44 -7.353 8.852 0.228 1.00 0.00 C ATOM 651 O CYS A 44 -7.210 9.610 1.187 1.00 0.00 O ATOM 652 CB CYS A 44 -5.192 7.820 -0.462 1.00 0.00 C ATOM 653 SG CYS A 44 -3.840 7.755 -1.676 1.00 0.00 S ATOM 0 H CYS A 44 -5.311 10.525 -0.285 1.00 0.00 H new ATOM 0 HA CYS A 44 -6.754 8.402 -1.769 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -4.788 8.116 0.506 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -5.610 6.821 -0.341 1.00 0.00 H new ATOM 658 N VAL A 45 -8.405 8.082 0.055 1.00 0.00 N ATOM 659 CA VAL A 45 -9.534 8.094 0.965 1.00 0.00 C ATOM 660 C VAL A 45 -10.052 6.692 1.164 1.00 0.00 C ATOM 661 O VAL A 45 -9.842 5.823 0.321 1.00 0.00 O ATOM 662 CB VAL A 45 -10.678 8.981 0.435 1.00 0.00 C ATOM 663 CG1 VAL A 45 -10.285 10.448 0.506 1.00 0.00 C ATOM 664 CG2 VAL A 45 -11.037 8.595 -0.998 1.00 0.00 C ATOM 0 H VAL A 45 -8.504 7.428 -0.722 1.00 0.00 H new ATOM 0 HA VAL A 45 -9.187 8.504 1.914 1.00 0.00 H new ATOM 0 HB VAL A 45 -11.555 8.824 1.063 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -11.102 11.062 0.128 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -10.075 10.719 1.541 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -9.395 10.616 -0.100 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -11.846 9.232 -1.355 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -10.165 8.724 -1.639 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -11.357 7.553 -1.025 1.00 0.00 H new ATOM 674 N GLU A 46 -10.720 6.475 2.282 1.00 0.00 N ATOM 675 CA GLU A 46 -11.264 5.173 2.594 1.00 0.00 C ATOM 676 C GLU A 46 -12.369 4.819 1.618 1.00 0.00 C ATOM 677 O GLU A 46 -13.492 5.305 1.726 1.00 0.00 O ATOM 678 CB GLU A 46 -11.785 5.140 4.025 1.00 0.00 C ATOM 679 CG GLU A 46 -10.678 5.205 5.060 1.00 0.00 C ATOM 680 CD GLU A 46 -11.195 5.411 6.467 1.00 0.00 C ATOM 681 OE1 GLU A 46 -11.650 4.425 7.086 1.00 0.00 O ATOM 682 OE2 GLU A 46 -11.139 6.552 6.964 1.00 0.00 O ATOM 0 H GLU A 46 -10.897 7.188 2.989 1.00 0.00 H new ATOM 0 HA GLU A 46 -10.469 4.433 2.503 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -12.467 5.977 4.177 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -12.362 4.227 4.175 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -10.099 4.282 5.023 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -9.998 6.018 4.806 1.00 0.00 H new ATOM 689 N ASN A 47 -12.032 3.974 0.661 1.00 0.00 N ATOM 690 CA ASN A 47 -12.955 3.586 -0.390 1.00 0.00 C ATOM 691 C ASN A 47 -14.132 2.829 0.197 1.00 0.00 C ATOM 692 O ASN A 47 -15.282 3.092 -0.145 1.00 0.00 O ATOM 693 CB ASN A 47 -12.210 2.754 -1.443 1.00 0.00 C ATOM 694 CG ASN A 47 -13.091 2.179 -2.533 1.00 0.00 C ATOM 695 OD1 ASN A 47 -14.225 2.601 -2.738 1.00 0.00 O ATOM 696 ND2 ASN A 47 -12.530 1.246 -3.284 1.00 0.00 N ATOM 0 H ASN A 47 -11.113 3.538 0.590 1.00 0.00 H new ATOM 0 HA ASN A 47 -13.352 4.476 -0.879 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -11.444 3.378 -1.904 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -11.694 1.935 -0.941 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -13.043 0.848 -4.070 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -11.584 0.925 -3.077 1.00 0.00 H new ATOM 703 N ASN A 48 -13.821 1.887 1.086 1.00 0.00 N ATOM 704 CA ASN A 48 -14.824 1.137 1.848 1.00 0.00 C ATOM 705 C ASN A 48 -15.616 0.181 0.959 1.00 0.00 C ATOM 706 O ASN A 48 -16.282 -0.727 1.450 1.00 0.00 O ATOM 707 CB ASN A 48 -15.768 2.078 2.594 1.00 0.00 C ATOM 708 CG ASN A 48 -15.986 1.646 4.027 1.00 0.00 C ATOM 709 OD1 ASN A 48 -16.899 0.878 4.328 1.00 0.00 O ATOM 710 ND2 ASN A 48 -15.139 2.130 4.919 1.00 0.00 N ATOM 0 H ASN A 48 -12.860 1.619 1.301 1.00 0.00 H new ATOM 0 HA ASN A 48 -14.284 0.538 2.581 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -15.359 3.088 2.579 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -16.727 2.114 2.077 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -15.228 1.869 5.901 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -14.396 2.764 4.625 1.00 0.00 H new ATOM 717 N ASN A 49 -15.509 0.382 -0.347 1.00 0.00 N ATOM 718 CA ASN A 49 -16.023 -0.561 -1.331 1.00 0.00 C ATOM 719 C ASN A 49 -14.892 -1.003 -2.282 1.00 0.00 C ATOM 720 O ASN A 49 -15.031 -0.938 -3.503 1.00 0.00 O ATOM 721 CB ASN A 49 -17.141 0.107 -2.126 1.00 0.00 C ATOM 722 CG ASN A 49 -17.871 -0.846 -3.057 1.00 0.00 C ATOM 723 OD1 ASN A 49 -18.018 -2.031 -2.762 1.00 0.00 O ATOM 724 ND2 ASN A 49 -18.324 -0.338 -4.194 1.00 0.00 N ATOM 0 H ASN A 49 -15.063 1.204 -0.755 1.00 0.00 H new ATOM 0 HA ASN A 49 -16.413 -1.442 -0.821 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -17.858 0.546 -1.432 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -16.722 0.925 -2.711 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -18.814 -0.935 -4.860 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -18.183 0.650 -4.403 1.00 0.00 H new ATOM 731 N PRO A 50 -13.735 -1.430 -1.733 1.00 0.00 N ATOM 732 CA PRO A 50 -12.580 -1.821 -2.536 1.00 0.00 C ATOM 733 C PRO A 50 -12.794 -3.117 -3.304 1.00 0.00 C ATOM 734 O PRO A 50 -13.337 -4.093 -2.783 1.00 0.00 O ATOM 735 CB PRO A 50 -11.462 -1.996 -1.521 1.00 0.00 C ATOM 736 CG PRO A 50 -12.137 -2.222 -0.223 1.00 0.00 C ATOM 737 CD PRO A 50 -13.462 -1.545 -0.302 1.00 0.00 C ATOM 0 HA PRO A 50 -12.370 -1.072 -3.300 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -10.823 -2.839 -1.783 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -10.825 -1.113 -1.483 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -12.259 -3.288 -0.031 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -11.544 -1.816 0.597 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -14.234 -2.126 0.203 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -13.436 -0.566 0.176 1.00 0.00 H new ATOM 745 N THR A 51 -12.355 -3.104 -4.545 1.00 0.00 N ATOM 746 CA THR A 51 -12.440 -4.262 -5.409 1.00 0.00 C ATOM 747 C THR A 51 -11.040 -4.654 -5.878 1.00 0.00 C ATOM 748 O THR A 51 -10.170 -3.791 -6.017 1.00 0.00 O ATOM 749 CB THR A 51 -13.336 -3.952 -6.634 1.00 0.00 C ATOM 750 OG1 THR A 51 -13.494 -5.116 -7.455 1.00 0.00 O ATOM 751 CG2 THR A 51 -12.752 -2.822 -7.474 1.00 0.00 C ATOM 0 H THR A 51 -11.928 -2.288 -4.984 1.00 0.00 H new ATOM 0 HA THR A 51 -12.881 -5.089 -4.852 1.00 0.00 H new ATOM 0 HB THR A 51 -14.309 -3.642 -6.253 1.00 0.00 H new ATOM 0 HG1 THR A 51 -14.064 -4.900 -8.222 1.00 0.00 H new ATOM 0 HG21 THR A 51 -13.403 -2.628 -8.326 1.00 0.00 H new ATOM 0 HG22 THR A 51 -12.672 -1.921 -6.866 1.00 0.00 H new ATOM 0 HG23 THR A 51 -11.763 -3.108 -7.831 1.00 0.00 H new ATOM 759 N CYS A 52 -10.803 -5.939 -6.114 1.00 0.00 N ATOM 760 CA CYS A 52 -9.573 -6.315 -6.778 1.00 0.00 C ATOM 761 C CYS A 52 -9.837 -6.229 -8.269 1.00 0.00 C ATOM 762 O CYS A 52 -10.789 -6.824 -8.776 1.00 0.00 O ATOM 763 CB CYS A 52 -9.122 -7.732 -6.383 1.00 0.00 C ATOM 764 SG CYS A 52 -7.716 -7.789 -5.208 1.00 0.00 S ATOM 0 H CYS A 52 -11.424 -6.709 -5.864 1.00 0.00 H new ATOM 0 HA CYS A 52 -8.765 -5.646 -6.482 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -9.968 -8.258 -5.941 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -8.845 -8.275 -7.286 1.00 0.00 H new ATOM 769 N ASP A 53 -8.946 -5.531 -8.958 1.00 0.00 N ATOM 770 CA ASP A 53 -9.199 -5.013 -10.304 1.00 0.00 C ATOM 771 C ASP A 53 -8.345 -3.784 -10.482 1.00 0.00 C ATOM 772 O ASP A 53 -7.624 -3.629 -11.465 1.00 0.00 O ATOM 773 CB ASP A 53 -10.659 -4.578 -10.478 1.00 0.00 C ATOM 774 CG ASP A 53 -10.940 -4.041 -11.866 1.00 0.00 C ATOM 775 OD1 ASP A 53 -11.183 -4.851 -12.784 1.00 0.00 O ATOM 776 OD2 ASP A 53 -10.921 -2.807 -12.042 1.00 0.00 O ATOM 0 H ASP A 53 -8.018 -5.304 -8.600 1.00 0.00 H new ATOM 0 HA ASP A 53 -8.975 -5.797 -11.027 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -11.314 -5.426 -10.280 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -10.898 -3.812 -9.740 1.00 0.00 H new ATOM 781 N ILE A 54 -8.453 -2.908 -9.491 1.00 0.00 N ATOM 782 CA ILE A 54 -7.673 -1.694 -9.435 1.00 0.00 C ATOM 783 C ILE A 54 -6.247 -2.032 -9.097 1.00 0.00 C ATOM 784 O ILE A 54 -5.902 -2.107 -7.913 1.00 0.00 O ATOM 785 CB ILE A 54 -8.196 -0.753 -8.349 1.00 0.00 C ATOM 786 CG1 ILE A 54 -9.686 -0.466 -8.570 1.00 0.00 C ATOM 787 CG2 ILE A 54 -7.354 0.519 -8.331 1.00 0.00 C ATOM 788 CD1 ILE A 54 -10.344 0.265 -7.420 1.00 0.00 C ATOM 0 H ILE A 54 -9.090 -3.027 -8.703 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.745 -1.206 -10.407 1.00 0.00 H new ATOM 0 HB ILE A 54 -8.106 -1.224 -7.370 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -9.802 0.126 -9.478 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -10.208 -1.409 -8.735 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -7.726 1.191 -7.557 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.315 0.265 -8.122 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.419 1.012 -9.301 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -11.396 0.432 -7.650 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -10.261 -0.334 -6.513 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -9.849 1.224 -7.268 1.00 0.00 H new ATOM 800 N ASN A 55 -5.441 -2.269 -10.126 1.00 0.00 N ATOM 801 CA ASN A 55 -4.064 -2.717 -9.951 1.00 0.00 C ATOM 802 C ASN A 55 -4.048 -4.157 -9.449 1.00 0.00 C ATOM 803 O ASN A 55 -3.436 -5.045 -10.041 1.00 0.00 O ATOM 804 CB ASN A 55 -3.325 -1.807 -8.965 1.00 0.00 C ATOM 805 CG ASN A 55 -1.828 -2.021 -9.020 1.00 0.00 C ATOM 806 OD1 ASN A 55 -1.273 -2.361 -10.065 1.00 0.00 O ATOM 807 ND2 ASN A 55 -1.155 -1.829 -7.905 1.00 0.00 N ATOM 0 H ASN A 55 -5.722 -2.157 -11.100 1.00 0.00 H new ATOM 0 HA ASN A 55 -3.555 -2.668 -10.914 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -3.552 -0.765 -9.191 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -3.683 -1.999 -7.954 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -0.144 -1.962 -7.890 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -1.645 -1.547 -7.056 1.00 0.00 H new ATOM 814 N ASN A 56 -4.767 -4.338 -8.360 1.00 0.00 N ATOM 815 CA ASN A 56 -4.910 -5.597 -7.643 1.00 0.00 C ATOM 816 C ASN A 56 -5.596 -5.344 -6.304 1.00 0.00 C ATOM 817 O ASN A 56 -5.297 -5.996 -5.316 1.00 0.00 O ATOM 818 CB ASN A 56 -3.574 -6.268 -7.384 1.00 0.00 C ATOM 819 CG ASN A 56 -2.586 -5.347 -6.774 1.00 0.00 C ATOM 820 OD1 ASN A 56 -2.889 -4.206 -6.432 1.00 0.00 O ATOM 821 ND2 ASN A 56 -1.398 -5.841 -6.624 1.00 0.00 N ATOM 0 H ASN A 56 -5.293 -3.579 -7.928 1.00 0.00 H new ATOM 0 HA ASN A 56 -5.506 -6.260 -8.270 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -3.722 -7.124 -6.726 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -3.176 -6.653 -8.323 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -0.660 -5.276 -6.204 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -1.201 -6.795 -6.926 1.00 0.00 H new ATOM 828 N GLY A 57 -6.488 -4.364 -6.260 1.00 0.00 N ATOM 829 CA GLY A 57 -7.176 -4.064 -5.026 1.00 0.00 C ATOM 830 C GLY A 57 -6.524 -2.932 -4.260 1.00 0.00 C ATOM 831 O GLY A 57 -7.074 -2.444 -3.275 1.00 0.00 O ATOM 0 H GLY A 57 -6.745 -3.776 -7.053 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -8.211 -3.802 -5.245 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -7.199 -4.956 -4.400 1.00 0.00 H new ATOM 835 N GLY A 58 -5.359 -2.501 -4.722 1.00 0.00 N ATOM 836 CA GLY A 58 -4.615 -1.483 -4.014 1.00 0.00 C ATOM 837 C GLY A 58 -3.350 -2.051 -3.403 1.00 0.00 C ATOM 838 O GLY A 58 -2.766 -1.477 -2.490 1.00 0.00 O ATOM 0 H GLY A 58 -4.916 -2.840 -5.576 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -4.359 -0.674 -4.698 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -5.239 -1.053 -3.230 1.00 0.00 H new ATOM 842 N CYS A 59 -2.920 -3.167 -3.960 1.00 0.00 N ATOM 843 CA CYS A 59 -1.770 -3.919 -3.500 1.00 0.00 C ATOM 844 C CYS A 59 -0.642 -3.702 -4.480 1.00 0.00 C ATOM 845 O CYS A 59 -0.743 -2.902 -5.410 1.00 0.00 O ATOM 846 CB CYS A 59 -2.097 -5.420 -3.437 1.00 0.00 C ATOM 847 SG CYS A 59 -3.703 -5.828 -2.687 1.00 0.00 S ATOM 0 H CYS A 59 -3.376 -3.587 -4.770 1.00 0.00 H new ATOM 0 HA CYS A 59 -1.490 -3.581 -2.502 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -2.073 -5.824 -4.449 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -1.312 -5.924 -2.874 1.00 0.00 H new ATOM 852 N ASP A 60 0.441 -4.386 -4.253 1.00 0.00 N ATOM 853 CA ASP A 60 1.556 -4.354 -5.165 1.00 0.00 C ATOM 854 C ASP A 60 1.482 -5.609 -5.989 1.00 0.00 C ATOM 855 O ASP A 60 1.011 -6.622 -5.505 1.00 0.00 O ATOM 856 CB ASP A 60 2.844 -4.341 -4.361 1.00 0.00 C ATOM 857 CG ASP A 60 4.061 -4.030 -5.208 1.00 0.00 C ATOM 858 OD1 ASP A 60 4.278 -2.847 -5.526 1.00 0.00 O ATOM 859 OD2 ASP A 60 4.792 -4.974 -5.567 1.00 0.00 O ATOM 0 H ASP A 60 0.580 -4.980 -3.436 1.00 0.00 H new ATOM 0 HA ASP A 60 1.530 -3.471 -5.804 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.762 -3.601 -3.565 1.00 0.00 H new ATOM 0 HB3 ASP A 60 2.978 -5.311 -3.882 1.00 0.00 H new ATOM 864 N PRO A 61 1.845 -5.538 -7.274 1.00 0.00 N ATOM 865 CA PRO A 61 1.745 -6.682 -8.182 1.00 0.00 C ATOM 866 C PRO A 61 2.489 -7.910 -7.657 1.00 0.00 C ATOM 867 O PRO A 61 2.303 -9.022 -8.159 1.00 0.00 O ATOM 868 CB PRO A 61 2.397 -6.185 -9.471 1.00 0.00 C ATOM 869 CG PRO A 61 2.363 -4.701 -9.401 1.00 0.00 C ATOM 870 CD PRO A 61 2.355 -4.335 -7.948 1.00 0.00 C ATOM 0 HA PRO A 61 0.711 -7.002 -8.308 1.00 0.00 H new ATOM 0 HB2 PRO A 61 3.421 -6.548 -9.555 1.00 0.00 H new ATOM 0 HB3 PRO A 61 1.857 -6.547 -10.346 1.00 0.00 H new ATOM 0 HG2 PRO A 61 3.229 -4.271 -9.903 1.00 0.00 H new ATOM 0 HG3 PRO A 61 1.477 -4.311 -9.903 1.00 0.00 H new ATOM 0 HD2 PRO A 61 3.354 -4.076 -7.597 1.00 0.00 H new ATOM 0 HD3 PRO A 61 1.717 -3.472 -7.759 1.00 0.00 H new ATOM 878 N THR A 62 3.350 -7.691 -6.669 1.00 0.00 N ATOM 879 CA THR A 62 4.057 -8.771 -6.008 1.00 0.00 C ATOM 880 C THR A 62 3.293 -9.229 -4.767 1.00 0.00 C ATOM 881 O THR A 62 3.524 -10.315 -4.247 1.00 0.00 O ATOM 882 CB THR A 62 5.479 -8.328 -5.617 1.00 0.00 C ATOM 883 OG1 THR A 62 5.422 -7.314 -4.601 1.00 0.00 O ATOM 884 CG2 THR A 62 6.201 -7.775 -6.834 1.00 0.00 C ATOM 0 H THR A 62 3.574 -6.763 -6.309 1.00 0.00 H new ATOM 0 HA THR A 62 4.130 -9.606 -6.704 1.00 0.00 H new ATOM 0 HB THR A 62 6.019 -9.193 -5.232 1.00 0.00 H new ATOM 0 HG1 THR A 62 5.343 -6.433 -5.022 1.00 0.00 H new ATOM 0 HG21 THR A 62 7.206 -7.463 -6.550 1.00 0.00 H new ATOM 0 HG22 THR A 62 6.263 -8.546 -7.602 1.00 0.00 H new ATOM 0 HG23 THR A 62 5.652 -6.918 -7.224 1.00 0.00 H new ATOM 892 N ALA A 63 2.379 -8.389 -4.307 1.00 0.00 N ATOM 893 CA ALA A 63 1.498 -8.725 -3.203 1.00 0.00 C ATOM 894 C ALA A 63 0.242 -9.420 -3.721 1.00 0.00 C ATOM 895 O ALA A 63 -0.495 -8.866 -4.539 1.00 0.00 O ATOM 896 CB ALA A 63 1.126 -7.470 -2.409 1.00 0.00 C ATOM 0 H ALA A 63 2.228 -7.456 -4.689 1.00 0.00 H new ATOM 0 HA ALA A 63 2.025 -9.408 -2.537 1.00 0.00 H new ATOM 0 HB1 ALA A 63 0.465 -7.743 -1.586 1.00 0.00 H new ATOM 0 HB2 ALA A 63 2.030 -7.010 -2.011 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.617 -6.763 -3.064 1.00 0.00 H new ATOM 902 N SER A 64 0.025 -10.641 -3.250 1.00 0.00 N ATOM 903 CA SER A 64 -1.138 -11.422 -3.580 1.00 0.00 C ATOM 904 C SER A 64 -2.419 -10.671 -3.220 1.00 0.00 C ATOM 905 O SER A 64 -2.630 -10.333 -2.062 1.00 0.00 O ATOM 906 CB SER A 64 -1.041 -12.728 -2.807 1.00 0.00 C ATOM 907 OG SER A 64 -0.185 -13.653 -3.452 1.00 0.00 O ATOM 0 H SER A 64 0.669 -11.116 -2.618 1.00 0.00 H new ATOM 0 HA SER A 64 -1.175 -11.615 -4.652 1.00 0.00 H new ATOM 0 HB2 SER A 64 -0.671 -12.529 -1.801 1.00 0.00 H new ATOM 0 HB3 SER A 64 -2.035 -13.163 -2.701 1.00 0.00 H new ATOM 0 HG SER A 64 -0.144 -14.480 -2.928 1.00 0.00 H new ATOM 913 N CYS A 65 -3.245 -10.397 -4.221 1.00 0.00 N ATOM 914 CA CYS A 65 -4.480 -9.660 -4.029 1.00 0.00 C ATOM 915 C CYS A 65 -5.638 -10.589 -3.717 1.00 0.00 C ATOM 916 O CYS A 65 -5.716 -11.713 -4.222 1.00 0.00 O ATOM 917 CB CYS A 65 -4.781 -8.842 -5.282 1.00 0.00 C ATOM 918 SG CYS A 65 -6.433 -9.139 -6.039 1.00 0.00 S ATOM 0 H CYS A 65 -3.075 -10.680 -5.186 1.00 0.00 H new ATOM 0 HA CYS A 65 -4.355 -8.993 -3.176 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -4.699 -7.784 -5.033 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -4.015 -9.055 -6.027 1.00 0.00 H new ATOM 923 N GLN A 66 -6.520 -10.105 -2.867 1.00 0.00 N ATOM 924 CA GLN A 66 -7.733 -10.818 -2.498 1.00 0.00 C ATOM 925 C GLN A 66 -8.860 -9.816 -2.320 1.00 0.00 C ATOM 926 O GLN A 66 -8.639 -8.728 -1.787 1.00 0.00 O ATOM 927 CB GLN A 66 -7.564 -11.552 -1.168 1.00 0.00 C ATOM 928 CG GLN A 66 -6.202 -12.178 -0.960 1.00 0.00 C ATOM 929 CD GLN A 66 -6.132 -13.627 -1.396 1.00 0.00 C ATOM 930 OE1 GLN A 66 -6.852 -14.058 -2.294 1.00 0.00 O ATOM 931 NE2 GLN A 66 -5.261 -14.389 -0.756 1.00 0.00 N ATOM 0 H GLN A 66 -6.418 -9.200 -2.408 1.00 0.00 H new ATOM 0 HA GLN A 66 -7.950 -11.538 -3.287 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -7.755 -10.851 -0.355 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -8.322 -12.333 -1.100 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -5.458 -11.604 -1.513 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -5.937 -12.111 0.095 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -4.682 -13.991 -0.016 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -5.168 -15.374 -1.002 1.00 0.00 H new ATOM 940 N ASN A 67 -10.051 -10.167 -2.762 1.00 0.00 N ATOM 941 CA ASN A 67 -11.221 -9.375 -2.432 1.00 0.00 C ATOM 942 C ASN A 67 -11.986 -10.021 -1.302 1.00 0.00 C ATOM 943 O ASN A 67 -12.129 -11.246 -1.242 1.00 0.00 O ATOM 944 CB ASN A 67 -12.147 -9.141 -3.631 1.00 0.00 C ATOM 945 CG ASN A 67 -12.254 -10.324 -4.580 1.00 0.00 C ATOM 946 OD1 ASN A 67 -12.037 -11.477 -4.203 1.00 0.00 O ATOM 947 ND2 ASN A 67 -12.615 -10.048 -5.825 1.00 0.00 N ATOM 0 H ASN A 67 -10.235 -10.985 -3.343 1.00 0.00 H new ATOM 0 HA ASN A 67 -10.858 -8.396 -2.120 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -13.143 -8.894 -3.263 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -11.789 -8.275 -4.188 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -12.721 -10.802 -6.504 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -12.787 -9.082 -6.104 1.00 0.00 H new ATOM 954 N ALA A 68 -12.459 -9.187 -0.406 1.00 0.00 N ATOM 955 CA ALA A 68 -13.137 -9.641 0.792 1.00 0.00 C ATOM 956 C ALA A 68 -13.975 -8.517 1.369 1.00 0.00 C ATOM 957 O ALA A 68 -13.804 -7.353 1.003 1.00 0.00 O ATOM 958 CB ALA A 68 -12.122 -10.115 1.813 1.00 0.00 C ATOM 0 H ALA A 68 -12.386 -8.173 -0.484 1.00 0.00 H new ATOM 0 HA ALA A 68 -13.793 -10.473 0.537 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -12.640 -10.454 2.710 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -11.543 -10.938 1.395 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -11.453 -9.294 2.069 1.00 0.00 H new ATOM 964 N GLU A 69 -14.880 -8.859 2.267 1.00 0.00 N ATOM 965 CA GLU A 69 -15.709 -7.864 2.911 1.00 0.00 C ATOM 966 C GLU A 69 -15.591 -7.957 4.416 1.00 0.00 C ATOM 967 O GLU A 69 -16.288 -8.724 5.079 1.00 0.00 O ATOM 968 CB GLU A 69 -17.158 -7.998 2.485 1.00 0.00 C ATOM 969 CG GLU A 69 -17.366 -7.776 0.999 1.00 0.00 C ATOM 970 CD GLU A 69 -18.821 -7.839 0.602 1.00 0.00 C ATOM 971 OE1 GLU A 69 -19.522 -6.817 0.743 1.00 0.00 O ATOM 972 OE2 GLU A 69 -19.274 -8.913 0.147 1.00 0.00 O ATOM 0 H GLU A 69 -15.058 -9.818 2.565 1.00 0.00 H new ATOM 0 HA GLU A 69 -15.353 -6.883 2.596 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -17.518 -8.992 2.751 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -17.761 -7.281 3.041 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -16.959 -6.804 0.720 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -16.808 -8.528 0.441 1.00 0.00 H new ATOM 979 N SER A 70 -14.687 -7.168 4.930 1.00 0.00 N ATOM 980 CA SER A 70 -14.445 -7.083 6.356 1.00 0.00 C ATOM 981 C SER A 70 -14.934 -5.738 6.862 1.00 0.00 C ATOM 982 O SER A 70 -15.056 -4.793 6.085 1.00 0.00 O ATOM 983 CB SER A 70 -12.948 -7.244 6.637 1.00 0.00 C ATOM 984 OG SER A 70 -12.702 -7.480 8.014 1.00 0.00 O ATOM 0 H SER A 70 -14.089 -6.559 4.372 1.00 0.00 H new ATOM 0 HA SER A 70 -14.983 -7.879 6.871 1.00 0.00 H new ATOM 0 HB2 SER A 70 -12.553 -8.072 6.048 1.00 0.00 H new ATOM 0 HB3 SER A 70 -12.418 -6.346 6.320 1.00 0.00 H new ATOM 0 HG SER A 70 -11.765 -7.737 8.139 1.00 0.00 H new ATOM 990 N THR A 71 -15.218 -5.653 8.152 1.00 0.00 N ATOM 991 CA THR A 71 -15.627 -4.397 8.755 1.00 0.00 C ATOM 992 C THR A 71 -14.510 -3.359 8.615 1.00 0.00 C ATOM 993 O THR A 71 -14.754 -2.152 8.610 1.00 0.00 O ATOM 994 CB THR A 71 -16.003 -4.593 10.240 1.00 0.00 C ATOM 995 OG1 THR A 71 -16.454 -3.355 10.808 1.00 0.00 O ATOM 996 CG2 THR A 71 -14.823 -5.136 11.037 1.00 0.00 C ATOM 0 H THR A 71 -15.172 -6.439 8.800 1.00 0.00 H new ATOM 0 HA THR A 71 -16.512 -4.035 8.231 1.00 0.00 H new ATOM 0 HB THR A 71 -16.812 -5.322 10.289 1.00 0.00 H new ATOM 0 HG1 THR A 71 -16.690 -3.494 11.749 1.00 0.00 H new ATOM 0 HG21 THR A 71 -15.116 -5.264 12.079 1.00 0.00 H new ATOM 0 HG22 THR A 71 -14.517 -6.098 10.625 1.00 0.00 H new ATOM 0 HG23 THR A 71 -13.991 -4.435 10.978 1.00 0.00 H new ATOM 1004 N GLU A 72 -13.284 -3.842 8.473 1.00 0.00 N ATOM 1005 CA GLU A 72 -12.146 -2.978 8.218 1.00 0.00 C ATOM 1006 C GLU A 72 -11.931 -2.873 6.719 1.00 0.00 C ATOM 1007 O GLU A 72 -11.821 -3.887 6.033 1.00 0.00 O ATOM 1008 CB GLU A 72 -10.887 -3.544 8.869 1.00 0.00 C ATOM 1009 CG GLU A 72 -11.128 -4.159 10.233 1.00 0.00 C ATOM 1010 CD GLU A 72 -9.853 -4.615 10.910 1.00 0.00 C ATOM 1011 OE1 GLU A 72 -8.955 -3.781 11.120 1.00 0.00 O ATOM 1012 OE2 GLU A 72 -9.749 -5.817 11.236 1.00 0.00 O ATOM 0 H GLU A 72 -13.054 -4.834 8.531 1.00 0.00 H new ATOM 0 HA GLU A 72 -12.346 -1.994 8.641 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -10.457 -4.299 8.211 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -10.149 -2.747 8.965 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -11.631 -3.431 10.870 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -11.801 -5.010 10.128 1.00 0.00 H new ATOM 1019 N ASN A 73 -11.887 -1.648 6.207 1.00 0.00 N ATOM 1020 CA ASN A 73 -11.591 -1.418 4.795 1.00 0.00 C ATOM 1021 C ASN A 73 -10.217 -1.954 4.440 1.00 0.00 C ATOM 1022 O ASN A 73 -10.002 -2.426 3.327 1.00 0.00 O ATOM 1023 CB ASN A 73 -11.684 0.071 4.421 1.00 0.00 C ATOM 1024 CG ASN A 73 -11.306 1.002 5.561 1.00 0.00 C ATOM 1025 OD1 ASN A 73 -10.479 0.672 6.408 1.00 0.00 O ATOM 1026 ND2 ASN A 73 -11.922 2.173 5.590 1.00 0.00 N ATOM 0 H ASN A 73 -12.052 -0.799 6.747 1.00 0.00 H new ATOM 0 HA ASN A 73 -12.346 -1.955 4.220 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -11.031 0.266 3.570 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -12.701 0.295 4.100 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -11.716 2.839 6.334 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -12.603 2.409 4.868 1.00 0.00 H new ATOM 1033 N SER A 74 -9.306 -1.917 5.398 1.00 0.00 N ATOM 1034 CA SER A 74 -7.956 -2.398 5.172 1.00 0.00 C ATOM 1035 C SER A 74 -7.932 -3.926 5.153 1.00 0.00 C ATOM 1036 O SER A 74 -7.005 -4.545 4.634 1.00 0.00 O ATOM 1037 CB SER A 74 -7.015 -1.845 6.248 1.00 0.00 C ATOM 1038 OG SER A 74 -5.673 -2.250 6.028 1.00 0.00 O ATOM 0 H SER A 74 -9.477 -1.559 6.338 1.00 0.00 H new ATOM 0 HA SER A 74 -7.610 -2.045 4.201 1.00 0.00 H new ATOM 0 HB2 SER A 74 -7.070 -0.756 6.256 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.343 -2.188 7.229 1.00 0.00 H new ATOM 0 HG SER A 74 -5.129 -1.468 5.797 1.00 0.00 H new ATOM 1044 N LYS A 75 -8.976 -4.529 5.710 1.00 0.00 N ATOM 1045 CA LYS A 75 -9.093 -5.979 5.748 1.00 0.00 C ATOM 1046 C LYS A 75 -9.998 -6.486 4.635 1.00 0.00 C ATOM 1047 O LYS A 75 -10.334 -7.669 4.588 1.00 0.00 O ATOM 1048 CB LYS A 75 -9.640 -6.418 7.103 1.00 0.00 C ATOM 1049 CG LYS A 75 -8.668 -6.207 8.240 1.00 0.00 C ATOM 1050 CD LYS A 75 -7.758 -7.408 8.405 1.00 0.00 C ATOM 1051 CE LYS A 75 -8.559 -8.643 8.777 1.00 0.00 C ATOM 1052 NZ LYS A 75 -7.695 -9.841 8.951 1.00 0.00 N ATOM 0 H LYS A 75 -9.755 -4.033 6.142 1.00 0.00 H new ATOM 0 HA LYS A 75 -8.101 -6.406 5.600 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -10.557 -5.867 7.312 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -9.907 -7.474 7.054 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -8.070 -5.316 8.051 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -9.217 -6.032 9.165 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -7.213 -7.588 7.478 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -7.016 -7.204 9.177 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -9.106 -8.455 9.701 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -9.300 -8.841 8.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -8.284 -10.660 9.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -7.192 -10.038 8.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -7.004 -9.664 9.708 1.00 0.00 H new ATOM 1066 N LYS A 76 -10.398 -5.590 3.741 1.00 0.00 N ATOM 1067 CA LYS A 76 -11.237 -5.980 2.623 1.00 0.00 C ATOM 1068 C LYS A 76 -10.381 -6.497 1.488 1.00 0.00 C ATOM 1069 O LYS A 76 -10.618 -7.570 0.951 1.00 0.00 O ATOM 1070 CB LYS A 76 -12.074 -4.824 2.130 1.00 0.00 C ATOM 1071 CG LYS A 76 -13.042 -4.281 3.159 1.00 0.00 C ATOM 1072 CD LYS A 76 -13.939 -3.249 2.519 1.00 0.00 C ATOM 1073 CE LYS A 76 -14.559 -2.290 3.518 1.00 0.00 C ATOM 1074 NZ LYS A 76 -15.606 -2.930 4.355 1.00 0.00 N ATOM 0 H LYS A 76 -10.156 -4.599 3.770 1.00 0.00 H new ATOM 0 HA LYS A 76 -11.907 -6.766 2.971 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -11.411 -4.020 1.810 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -12.635 -5.144 1.252 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -13.642 -5.092 3.572 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -12.494 -3.836 3.989 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -13.363 -2.680 1.789 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -14.733 -3.757 1.972 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -13.778 -1.890 4.164 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -14.994 -1.446 2.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -15.863 -2.294 5.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -16.447 -3.121 3.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -15.242 -3.824 4.742 1.00 0.00 H new ATOM 1088 N ILE A 77 -9.393 -5.712 1.112 1.00 0.00 N ATOM 1089 CA ILE A 77 -8.426 -6.155 0.132 1.00 0.00 C ATOM 1090 C ILE A 77 -7.223 -6.710 0.854 1.00 0.00 C ATOM 1091 O ILE A 77 -6.539 -6.001 1.593 1.00 0.00 O ATOM 1092 CB ILE A 77 -7.985 -5.022 -0.813 1.00 0.00 C ATOM 1093 CG1 ILE A 77 -9.188 -4.469 -1.567 1.00 0.00 C ATOM 1094 CG2 ILE A 77 -6.926 -5.507 -1.792 1.00 0.00 C ATOM 1095 CD1 ILE A 77 -9.930 -5.519 -2.360 1.00 0.00 C ATOM 0 H ILE A 77 -9.239 -4.769 1.468 1.00 0.00 H new ATOM 0 HA ILE A 77 -8.897 -6.921 -0.484 1.00 0.00 H new ATOM 0 HB ILE A 77 -7.548 -4.226 -0.210 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -9.874 -4.009 -0.856 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -8.854 -3.682 -2.243 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -6.633 -4.687 -2.447 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -6.055 -5.860 -1.240 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -7.331 -6.323 -2.391 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -10.775 -5.059 -2.872 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -9.258 -5.963 -3.095 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -10.294 -6.295 -1.686 1.00 0.00 H new ATOM 1107 N ILE A 78 -6.987 -7.982 0.658 1.00 0.00 N ATOM 1108 CA ILE A 78 -5.893 -8.651 1.322 1.00 0.00 C ATOM 1109 C ILE A 78 -4.681 -8.654 0.418 1.00 0.00 C ATOM 1110 O ILE A 78 -4.665 -9.326 -0.608 1.00 0.00 O ATOM 1111 CB ILE A 78 -6.236 -10.102 1.723 1.00 0.00 C ATOM 1112 CG1 ILE A 78 -7.499 -10.163 2.592 1.00 0.00 C ATOM 1113 CG2 ILE A 78 -5.063 -10.728 2.454 1.00 0.00 C ATOM 1114 CD1 ILE A 78 -8.785 -9.993 1.810 1.00 0.00 C ATOM 0 H ILE A 78 -7.539 -8.579 0.042 1.00 0.00 H new ATOM 0 HA ILE A 78 -5.688 -8.100 2.240 1.00 0.00 H new ATOM 0 HB ILE A 78 -6.435 -10.666 0.811 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -7.525 -11.120 3.113 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -7.442 -9.386 3.355 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -5.313 -11.751 2.734 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -4.189 -10.733 1.803 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -4.843 -10.150 3.352 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -9.635 -10.047 2.491 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -8.782 -9.024 1.310 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -8.865 -10.785 1.065 1.00 0.00 H new ATOM 1126 N CYS A 79 -3.693 -7.865 0.785 1.00 0.00 N ATOM 1127 CA CYS A 79 -2.465 -7.784 0.024 1.00 0.00 C ATOM 1128 C CYS A 79 -1.366 -8.556 0.736 1.00 0.00 C ATOM 1129 O CYS A 79 -0.923 -8.181 1.821 1.00 0.00 O ATOM 1130 CB CYS A 79 -2.092 -6.319 -0.160 1.00 0.00 C ATOM 1131 SG CYS A 79 -3.485 -5.310 -0.743 1.00 0.00 S ATOM 0 H CYS A 79 -3.718 -7.267 1.611 1.00 0.00 H new ATOM 0 HA CYS A 79 -2.599 -8.233 -0.960 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -1.730 -5.919 0.787 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -1.271 -6.244 -0.873 1.00 0.00 H new ATOM 1136 N THR A 80 -0.954 -9.647 0.121 1.00 0.00 N ATOM 1137 CA THR A 80 -0.018 -10.574 0.732 1.00 0.00 C ATOM 1138 C THR A 80 1.331 -10.572 0.018 1.00 0.00 C ATOM 1139 O THR A 80 1.444 -11.035 -1.115 1.00 0.00 O ATOM 1140 CB THR A 80 -0.610 -11.997 0.708 1.00 0.00 C ATOM 1141 OG1 THR A 80 -1.772 -12.059 1.545 1.00 0.00 O ATOM 1142 CG2 THR A 80 0.407 -13.030 1.161 1.00 0.00 C ATOM 0 H THR A 80 -1.257 -9.917 -0.815 1.00 0.00 H new ATOM 0 HA THR A 80 0.147 -10.252 1.760 1.00 0.00 H new ATOM 0 HB THR A 80 -0.888 -12.226 -0.321 1.00 0.00 H new ATOM 0 HG1 THR A 80 -2.143 -12.966 1.523 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.044 -14.022 1.132 1.00 0.00 H new ATOM 0 HG22 THR A 80 1.271 -13.005 0.498 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.725 -12.806 2.179 1.00 0.00 H new ATOM 1150 N CYS A 81 2.358 -10.073 0.681 1.00 0.00 N ATOM 1151 CA CYS A 81 3.692 -10.086 0.105 1.00 0.00 C ATOM 1152 C CYS A 81 4.323 -11.453 0.381 1.00 0.00 C ATOM 1153 O CYS A 81 4.265 -11.959 1.505 1.00 0.00 O ATOM 1154 CB CYS A 81 4.551 -8.958 0.693 1.00 0.00 C ATOM 1155 SG CYS A 81 3.674 -7.367 0.915 1.00 0.00 S ATOM 0 H CYS A 81 2.297 -9.657 1.610 1.00 0.00 H new ATOM 0 HA CYS A 81 3.632 -9.919 -0.970 1.00 0.00 H new ATOM 0 HB2 CYS A 81 4.940 -9.281 1.659 1.00 0.00 H new ATOM 0 HB3 CYS A 81 5.410 -8.796 0.042 1.00 0.00 H new ATOM 1160 N LYS A 82 4.905 -12.051 -0.653 1.00 0.00 N ATOM 1161 CA LYS A 82 5.388 -13.429 -0.583 1.00 0.00 C ATOM 1162 C LYS A 82 6.675 -13.567 0.228 1.00 0.00 C ATOM 1163 O LYS A 82 7.178 -12.597 0.794 1.00 0.00 O ATOM 1164 CB LYS A 82 5.602 -14.015 -1.983 1.00 0.00 C ATOM 1165 CG LYS A 82 4.321 -14.308 -2.757 1.00 0.00 C ATOM 1166 CD LYS A 82 3.726 -13.049 -3.352 1.00 0.00 C ATOM 1167 CE LYS A 82 2.591 -13.353 -4.317 1.00 0.00 C ATOM 1168 NZ LYS A 82 3.007 -14.300 -5.389 1.00 0.00 N ATOM 0 H LYS A 82 5.055 -11.601 -1.556 1.00 0.00 H new ATOM 0 HA LYS A 82 4.609 -13.991 -0.068 1.00 0.00 H new ATOM 0 HB2 LYS A 82 6.209 -13.320 -2.563 1.00 0.00 H new ATOM 0 HB3 LYS A 82 6.174 -14.939 -1.891 1.00 0.00 H new ATOM 0 HG2 LYS A 82 4.532 -15.022 -3.553 1.00 0.00 H new ATOM 0 HG3 LYS A 82 3.594 -14.776 -2.093 1.00 0.00 H new ATOM 0 HD2 LYS A 82 3.358 -12.409 -2.550 1.00 0.00 H new ATOM 0 HD3 LYS A 82 4.505 -12.492 -3.873 1.00 0.00 H new ATOM 0 HE2 LYS A 82 1.751 -13.776 -3.766 1.00 0.00 H new ATOM 0 HE3 LYS A 82 2.241 -12.425 -4.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 2.362 -14.212 -6.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 3.977 -14.077 -5.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 2.973 -15.273 -5.024 1.00 0.00 H new ATOM 1182 N GLU A 83 7.197 -14.786 0.271 1.00 0.00 N ATOM 1183 CA GLU A 83 8.389 -15.118 1.055 1.00 0.00 C ATOM 1184 C GLU A 83 9.618 -14.227 0.765 1.00 0.00 C ATOM 1185 O GLU A 83 10.269 -13.782 1.710 1.00 0.00 O ATOM 1186 CB GLU A 83 8.749 -16.589 0.858 1.00 0.00 C ATOM 1187 CG GLU A 83 7.629 -17.531 1.255 1.00 0.00 C ATOM 1188 CD GLU A 83 8.034 -18.984 1.208 1.00 0.00 C ATOM 1189 OE1 GLU A 83 7.990 -19.586 0.115 1.00 0.00 O ATOM 1190 OE2 GLU A 83 8.389 -19.540 2.267 1.00 0.00 O ATOM 0 H GLU A 83 6.807 -15.579 -0.238 1.00 0.00 H new ATOM 0 HA GLU A 83 8.124 -14.923 2.094 1.00 0.00 H new ATOM 0 HB2 GLU A 83 9.005 -16.758 -0.188 1.00 0.00 H new ATOM 0 HB3 GLU A 83 9.637 -16.822 1.445 1.00 0.00 H new ATOM 0 HG2 GLU A 83 7.296 -17.285 2.263 1.00 0.00 H new ATOM 0 HG3 GLU A 83 6.779 -17.375 0.591 1.00 0.00 H new ATOM 1197 N PRO A 84 9.963 -13.913 -0.514 1.00 0.00 N ATOM 1198 CA PRO A 84 11.167 -13.147 -0.812 1.00 0.00 C ATOM 1199 C PRO A 84 10.920 -11.665 -0.639 1.00 0.00 C ATOM 1200 O PRO A 84 11.725 -10.820 -1.031 1.00 0.00 O ATOM 1201 CB PRO A 84 11.451 -13.463 -2.266 1.00 0.00 C ATOM 1202 CG PRO A 84 10.118 -13.758 -2.866 1.00 0.00 C ATOM 1203 CD PRO A 84 9.210 -14.204 -1.746 1.00 0.00 C ATOM 0 HA PRO A 84 11.995 -13.401 -0.150 1.00 0.00 H new ATOM 0 HB2 PRO A 84 11.931 -12.622 -2.766 1.00 0.00 H new ATOM 0 HB3 PRO A 84 12.123 -14.316 -2.360 1.00 0.00 H new ATOM 0 HG2 PRO A 84 9.714 -12.874 -3.359 1.00 0.00 H new ATOM 0 HG3 PRO A 84 10.202 -14.536 -3.625 1.00 0.00 H new ATOM 0 HD2 PRO A 84 8.262 -13.666 -1.767 1.00 0.00 H new ATOM 0 HD3 PRO A 84 8.976 -15.266 -1.825 1.00 0.00 H new ATOM 1211 N THR A 85 9.768 -11.380 -0.082 1.00 0.00 N ATOM 1212 CA THR A 85 9.355 -10.052 0.252 1.00 0.00 C ATOM 1213 C THR A 85 8.840 -10.100 1.689 1.00 0.00 C ATOM 1214 O THR A 85 7.650 -9.943 1.956 1.00 0.00 O ATOM 1215 CB THR A 85 8.272 -9.558 -0.740 1.00 0.00 C ATOM 1216 OG1 THR A 85 7.036 -10.241 -0.527 1.00 0.00 O ATOM 1217 CG2 THR A 85 8.710 -9.823 -2.171 1.00 0.00 C ATOM 0 H THR A 85 9.077 -12.091 0.156 1.00 0.00 H new ATOM 0 HA THR A 85 10.180 -9.344 0.178 1.00 0.00 H new ATOM 0 HB THR A 85 8.138 -8.489 -0.573 1.00 0.00 H new ATOM 0 HG1 THR A 85 7.050 -10.678 0.350 1.00 0.00 H new ATOM 0 HG21 THR A 85 7.940 -9.471 -2.858 1.00 0.00 H new ATOM 0 HG22 THR A 85 9.643 -9.295 -2.370 1.00 0.00 H new ATOM 0 HG23 THR A 85 8.862 -10.893 -2.313 1.00 0.00 H new ATOM 1225 N PRO A 86 9.765 -10.337 2.636 1.00 0.00 N ATOM 1226 CA PRO A 86 9.444 -10.678 4.033 1.00 0.00 C ATOM 1227 C PRO A 86 8.711 -9.563 4.757 1.00 0.00 C ATOM 1228 O PRO A 86 8.282 -9.712 5.903 1.00 0.00 O ATOM 1229 CB PRO A 86 10.820 -10.886 4.677 1.00 0.00 C ATOM 1230 CG PRO A 86 11.777 -11.052 3.555 1.00 0.00 C ATOM 1231 CD PRO A 86 11.217 -10.265 2.419 1.00 0.00 C ATOM 0 HA PRO A 86 8.784 -11.544 4.086 1.00 0.00 H new ATOM 0 HB2 PRO A 86 11.092 -10.033 5.299 1.00 0.00 H new ATOM 0 HB3 PRO A 86 10.820 -11.764 5.323 1.00 0.00 H new ATOM 0 HG2 PRO A 86 12.768 -10.690 3.830 1.00 0.00 H new ATOM 0 HG3 PRO A 86 11.885 -12.103 3.286 1.00 0.00 H new ATOM 0 HD2 PRO A 86 11.574 -9.235 2.429 1.00 0.00 H new ATOM 0 HD3 PRO A 86 11.501 -10.691 1.457 1.00 0.00 H new ATOM 1239 N ASN A 87 8.569 -8.454 4.069 1.00 0.00 N ATOM 1240 CA ASN A 87 8.053 -7.242 4.643 1.00 0.00 C ATOM 1241 C ASN A 87 7.124 -6.579 3.648 1.00 0.00 C ATOM 1242 O ASN A 87 6.856 -7.138 2.586 1.00 0.00 O ATOM 1243 CB ASN A 87 9.215 -6.316 4.960 1.00 0.00 C ATOM 1244 CG ASN A 87 10.329 -7.009 5.718 1.00 0.00 C ATOM 1245 OD1 ASN A 87 10.288 -7.141 6.938 1.00 0.00 O ATOM 1246 ND2 ASN A 87 11.349 -7.430 4.985 1.00 0.00 N ATOM 0 H ASN A 87 8.813 -8.372 3.082 1.00 0.00 H new ATOM 0 HA ASN A 87 7.502 -7.462 5.558 1.00 0.00 H new ATOM 0 HB2 ASN A 87 9.613 -5.909 4.031 1.00 0.00 H new ATOM 0 HB3 ASN A 87 8.852 -5.473 5.548 1.00 0.00 H new ATOM 0 HD21 ASN A 87 12.144 -7.886 5.432 1.00 0.00 H new ATOM 0 HD22 ASN A 87 11.339 -7.298 3.974 1.00 0.00 H new ATOM 1253 N ALA A 88 6.664 -5.386 3.963 1.00 0.00 N ATOM 1254 CA ALA A 88 5.785 -4.670 3.061 1.00 0.00 C ATOM 1255 C ALA A 88 6.016 -3.174 3.144 1.00 0.00 C ATOM 1256 O ALA A 88 6.440 -2.655 4.178 1.00 0.00 O ATOM 1257 CB ALA A 88 4.336 -4.994 3.385 1.00 0.00 C ATOM 0 H ALA A 88 6.882 -4.894 4.830 1.00 0.00 H new ATOM 0 HA ALA A 88 6.007 -4.989 2.043 1.00 0.00 H new ATOM 0 HB1 ALA A 88 3.681 -4.452 2.703 1.00 0.00 H new ATOM 0 HB2 ALA A 88 4.169 -6.065 3.274 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.117 -4.697 4.411 1.00 0.00 H new ATOM 1263 N TYR A 89 5.763 -2.493 2.040 1.00 0.00 N ATOM 1264 CA TYR A 89 5.706 -1.049 2.041 1.00 0.00 C ATOM 1265 C TYR A 89 4.345 -0.682 2.618 1.00 0.00 C ATOM 1266 O TYR A 89 3.315 -0.830 1.952 1.00 0.00 O ATOM 1267 CB TYR A 89 5.859 -0.470 0.618 1.00 0.00 C ATOM 1268 CG TYR A 89 7.024 -0.994 -0.203 1.00 0.00 C ATOM 1269 CD1 TYR A 89 8.113 -1.640 0.366 1.00 0.00 C ATOM 1270 CD2 TYR A 89 7.029 -0.799 -1.573 1.00 0.00 C ATOM 1271 CE1 TYR A 89 9.164 -2.066 -0.418 1.00 0.00 C ATOM 1272 CE2 TYR A 89 8.063 -1.227 -2.363 1.00 0.00 C ATOM 1273 CZ TYR A 89 9.130 -1.855 -1.788 1.00 0.00 C ATOM 1274 OH TYR A 89 10.182 -2.252 -2.578 1.00 0.00 O ATOM 0 H TYR A 89 5.594 -2.922 1.130 1.00 0.00 H new ATOM 0 HA TYR A 89 6.524 -0.634 2.630 1.00 0.00 H new ATOM 0 HB2 TYR A 89 4.938 -0.666 0.069 1.00 0.00 H new ATOM 0 HB3 TYR A 89 5.957 0.613 0.698 1.00 0.00 H new ATOM 0 HD1 TYR A 89 8.137 -1.810 1.432 1.00 0.00 H new ATOM 0 HD2 TYR A 89 6.192 -0.294 -2.033 1.00 0.00 H new ATOM 0 HE1 TYR A 89 10.011 -2.562 0.033 1.00 0.00 H new ATOM 0 HE2 TYR A 89 8.034 -1.069 -3.431 1.00 0.00 H new ATOM 0 HH TYR A 89 9.992 -2.028 -3.513 1.00 0.00 H new ATOM 1284 N TYR A 90 4.350 -0.257 3.872 1.00 0.00 N ATOM 1285 CA TYR A 90 3.128 -0.027 4.642 1.00 0.00 C ATOM 1286 C TYR A 90 2.422 -1.352 4.948 1.00 0.00 C ATOM 1287 O TYR A 90 3.032 -2.260 5.508 1.00 0.00 O ATOM 1288 CB TYR A 90 2.181 0.974 3.955 1.00 0.00 C ATOM 1289 CG TYR A 90 1.681 2.027 4.912 1.00 0.00 C ATOM 1290 CD1 TYR A 90 0.777 1.716 5.920 1.00 0.00 C ATOM 1291 CD2 TYR A 90 2.141 3.326 4.830 1.00 0.00 C ATOM 1292 CE1 TYR A 90 0.345 2.678 6.810 1.00 0.00 C ATOM 1293 CE2 TYR A 90 1.723 4.292 5.717 1.00 0.00 C ATOM 1294 CZ TYR A 90 0.823 3.965 6.705 1.00 0.00 C ATOM 1295 OH TYR A 90 0.405 4.925 7.596 1.00 0.00 O ATOM 0 H TYR A 90 5.205 -0.059 4.391 1.00 0.00 H new ATOM 0 HA TYR A 90 3.422 0.428 5.588 1.00 0.00 H new ATOM 0 HB2 TYR A 90 2.701 1.455 3.126 1.00 0.00 H new ATOM 0 HB3 TYR A 90 1.332 0.438 3.531 1.00 0.00 H new ATOM 0 HD1 TYR A 90 0.407 0.705 6.008 1.00 0.00 H new ATOM 0 HD2 TYR A 90 2.844 3.590 4.053 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -0.364 2.423 7.584 1.00 0.00 H new ATOM 0 HE2 TYR A 90 2.099 5.301 5.638 1.00 0.00 H new ATOM 0 HH TYR A 90 0.837 5.779 7.384 1.00 0.00 H new ATOM 1305 N GLU A 91 1.153 -1.474 4.574 1.00 0.00 N ATOM 1306 CA GLU A 91 0.355 -2.643 4.965 1.00 0.00 C ATOM 1307 C GLU A 91 0.411 -3.760 3.924 1.00 0.00 C ATOM 1308 O GLU A 91 -0.165 -4.830 4.122 1.00 0.00 O ATOM 1309 CB GLU A 91 -1.112 -2.256 5.186 1.00 0.00 C ATOM 1310 CG GLU A 91 -1.306 -0.851 5.724 1.00 0.00 C ATOM 1311 CD GLU A 91 -2.679 -0.636 6.322 1.00 0.00 C ATOM 1312 OE1 GLU A 91 -3.662 -0.584 5.558 1.00 0.00 O ATOM 1313 OE2 GLU A 91 -2.772 -0.526 7.565 1.00 0.00 O ATOM 0 H GLU A 91 0.654 -0.789 4.007 1.00 0.00 H new ATOM 0 HA GLU A 91 0.791 -3.010 5.894 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -1.648 -2.349 4.241 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -1.563 -2.965 5.880 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -0.549 -0.650 6.482 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -1.149 -0.134 4.918 1.00 0.00 H new ATOM 1320 N GLY A 92 1.106 -3.525 2.823 1.00 0.00 N ATOM 1321 CA GLY A 92 1.074 -4.468 1.719 1.00 0.00 C ATOM 1322 C GLY A 92 0.635 -3.789 0.449 1.00 0.00 C ATOM 1323 O GLY A 92 0.516 -4.418 -0.603 1.00 0.00 O ATOM 0 H GLY A 92 1.690 -2.703 2.671 1.00 0.00 H new ATOM 0 HA2 GLY A 92 2.063 -4.906 1.580 1.00 0.00 H new ATOM 0 HA3 GLY A 92 0.393 -5.286 1.953 1.00 0.00 H new ATOM 1327 N VAL A 93 0.377 -2.490 0.569 1.00 0.00 N ATOM 1328 CA VAL A 93 0.045 -1.647 -0.561 1.00 0.00 C ATOM 1329 C VAL A 93 1.132 -1.758 -1.623 1.00 0.00 C ATOM 1330 O VAL A 93 0.884 -1.633 -2.821 1.00 0.00 O ATOM 1331 CB VAL A 93 -0.090 -0.170 -0.107 1.00 0.00 C ATOM 1332 CG1 VAL A 93 -0.656 0.682 -1.215 1.00 0.00 C ATOM 1333 CG2 VAL A 93 -0.933 -0.049 1.156 1.00 0.00 C ATOM 0 H VAL A 93 0.394 -1.996 1.461 1.00 0.00 H new ATOM 0 HA VAL A 93 -0.906 -1.978 -0.979 1.00 0.00 H new ATOM 0 HB VAL A 93 0.910 0.196 0.129 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -0.742 1.714 -0.873 1.00 0.00 H new ATOM 0 HG12 VAL A 93 0.005 0.640 -2.080 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.642 0.309 -1.493 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -1.006 0.999 1.445 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -1.931 -0.444 0.966 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -0.465 -0.616 1.961 1.00 0.00 H new ATOM 1343 N PHE A 94 2.347 -1.968 -1.146 1.00 0.00 N ATOM 1344 CA PHE A 94 3.479 -2.249 -1.991 1.00 0.00 C ATOM 1345 C PHE A 94 4.449 -3.154 -1.224 1.00 0.00 C ATOM 1346 O PHE A 94 4.396 -3.200 -0.002 1.00 0.00 O ATOM 1347 CB PHE A 94 4.187 -0.964 -2.526 1.00 0.00 C ATOM 1348 CG PHE A 94 3.932 0.403 -1.863 1.00 0.00 C ATOM 1349 CD1 PHE A 94 3.019 0.616 -0.837 1.00 0.00 C ATOM 1350 CD2 PHE A 94 4.649 1.503 -2.318 1.00 0.00 C ATOM 1351 CE1 PHE A 94 2.830 1.869 -0.288 1.00 0.00 C ATOM 1352 CE2 PHE A 94 4.460 2.758 -1.772 1.00 0.00 C ATOM 1353 CZ PHE A 94 3.550 2.941 -0.756 1.00 0.00 C ATOM 0 H PHE A 94 2.570 -1.947 -0.151 1.00 0.00 H new ATOM 0 HA PHE A 94 3.119 -2.761 -2.883 1.00 0.00 H new ATOM 0 HB2 PHE A 94 5.261 -1.147 -2.483 1.00 0.00 H new ATOM 0 HB3 PHE A 94 3.922 -0.865 -3.579 1.00 0.00 H new ATOM 0 HD1 PHE A 94 2.444 -0.217 -0.461 1.00 0.00 H new ATOM 0 HD2 PHE A 94 5.368 1.374 -3.114 1.00 0.00 H new ATOM 0 HE1 PHE A 94 2.115 2.006 0.510 1.00 0.00 H new ATOM 0 HE2 PHE A 94 5.028 3.598 -2.144 1.00 0.00 H new ATOM 0 HZ PHE A 94 3.403 3.922 -0.329 1.00 0.00 H new ATOM 1363 N CYS A 95 5.292 -3.917 -1.924 1.00 0.00 N ATOM 1364 CA CYS A 95 6.274 -4.789 -1.258 1.00 0.00 C ATOM 1365 C CYS A 95 7.576 -4.840 -2.065 1.00 0.00 C ATOM 1366 O CYS A 95 7.578 -4.555 -3.263 1.00 0.00 O ATOM 1367 CB CYS A 95 5.734 -6.222 -1.066 1.00 0.00 C ATOM 1368 SG CYS A 95 3.926 -6.349 -0.831 1.00 0.00 S ATOM 0 H CYS A 95 5.318 -3.952 -2.943 1.00 0.00 H new ATOM 0 HA CYS A 95 6.467 -4.363 -0.273 1.00 0.00 H new ATOM 0 HB2 CYS A 95 6.014 -6.818 -1.935 1.00 0.00 H new ATOM 0 HB3 CYS A 95 6.228 -6.666 -0.202 1.00 0.00 H new ATOM 1373 N SER A 96 8.681 -5.201 -1.408 1.00 0.00 N ATOM 1374 CA SER A 96 9.991 -5.212 -2.060 1.00 0.00 C ATOM 1375 C SER A 96 10.434 -6.624 -2.363 1.00 0.00 C ATOM 1376 O SER A 96 10.504 -7.462 -1.464 1.00 0.00 O ATOM 1377 CB SER A 96 11.055 -4.558 -1.175 1.00 0.00 C ATOM 1378 OG SER A 96 12.239 -4.290 -1.901 1.00 0.00 O ATOM 0 H SER A 96 8.694 -5.488 -0.429 1.00 0.00 H new ATOM 0 HA SER A 96 9.886 -4.649 -2.987 1.00 0.00 H new ATOM 0 HB2 SER A 96 10.664 -3.629 -0.759 1.00 0.00 H new ATOM 0 HB3 SER A 96 11.283 -5.213 -0.334 1.00 0.00 H new ATOM 0 HG SER A 96 13.018 -4.489 -1.341 1.00 0.00 H new ATOM 1384 N SER A 97 10.749 -6.876 -3.617 1.00 0.00 N ATOM 1385 CA SER A 97 11.270 -8.166 -4.014 1.00 0.00 C ATOM 1386 C SER A 97 12.756 -8.053 -4.329 1.00 0.00 C ATOM 1387 O SER A 97 13.168 -8.096 -5.488 1.00 0.00 O ATOM 1388 CB SER A 97 10.528 -8.685 -5.231 1.00 0.00 C ATOM 1389 OG SER A 97 9.124 -8.604 -5.051 1.00 0.00 O ATOM 0 H SER A 97 10.653 -6.204 -4.378 1.00 0.00 H new ATOM 0 HA SER A 97 11.128 -8.865 -3.190 1.00 0.00 H new ATOM 0 HB2 SER A 97 10.818 -8.109 -6.110 1.00 0.00 H new ATOM 0 HB3 SER A 97 10.814 -9.720 -5.420 1.00 0.00 H new ATOM 0 HG SER A 97 8.671 -8.943 -5.851 1.00 0.00 H new ATOM 1395 N SER A 98 13.545 -7.908 -3.286 1.00 0.00 N ATOM 1396 CA SER A 98 14.987 -7.751 -3.429 1.00 0.00 C ATOM 1397 C SER A 98 15.688 -7.934 -2.079 1.00 0.00 C ATOM 1398 O SER A 98 16.726 -7.326 -1.816 1.00 0.00 O ATOM 1399 CB SER A 98 15.299 -6.369 -4.019 1.00 0.00 C ATOM 1400 OG SER A 98 16.676 -6.219 -4.331 1.00 0.00 O ATOM 0 H SER A 98 13.215 -7.895 -2.321 1.00 0.00 H new ATOM 0 HA SER A 98 15.361 -8.518 -4.107 1.00 0.00 H new ATOM 0 HB2 SER A 98 14.705 -6.218 -4.920 1.00 0.00 H new ATOM 0 HB3 SER A 98 15.003 -5.597 -3.309 1.00 0.00 H new ATOM 0 HG SER A 98 17.216 -6.452 -3.547 1.00 0.00 H new ATOM 1406 N SER A 99 15.132 -8.782 -1.228 1.00 0.00 N ATOM 1407 CA SER A 99 15.699 -9.002 0.094 1.00 0.00 C ATOM 1408 C SER A 99 16.588 -10.238 0.088 1.00 0.00 C ATOM 1409 O SER A 99 17.823 -10.082 0.186 1.00 0.00 O ATOM 1410 CB SER A 99 14.580 -9.142 1.125 1.00 0.00 C ATOM 1411 OG SER A 99 13.687 -10.166 0.754 1.00 0.00 O ATOM 1412 OXT SER A 99 16.053 -11.356 -0.057 1.00 0.00 O ATOM 0 H SER A 99 14.293 -9.327 -1.427 1.00 0.00 H new ATOM 0 HA SER A 99 16.313 -8.143 0.365 1.00 0.00 H new ATOM 0 HB2 SER A 99 15.006 -9.361 2.104 1.00 0.00 H new ATOM 0 HB3 SER A 99 14.042 -8.198 1.216 1.00 0.00 H new ATOM 0 HG SER A 99 14.188 -10.908 0.355 1.00 0.00 H new TER 1418 SER A 99