USER MOD reduce.3.24.130724 H: found=0, std=0, add=824, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 824 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: B 23 THR OG1 : rot -96:sc= -0.324 USER MOD Set 1.2: B 26 GLN : amide:sc= -1.92! X(o=-2.2!,f=-2.2) USER MOD Set 2.1: A 23 THR OG1 : rot -113:sc= -2.27! USER MOD Set 2.2: A 26 GLN :FLIP amide:sc= 0.0812 F(o=-4.7!,f=-2.2) USER MOD Single : A 1 GLU N :NH3+ -137:sc= -1.18! (180deg=-5.89!) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0.19) USER MOD Single : A 4 THR OG1 : rot 23:sc= 0.112 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot -61:sc= 0.266 USER MOD Single : A 15 GLN : amide:sc= -0.0925 X(o=-0.092,f=0.22) USER MOD Single : A 16 ASN : amide:sc= -6.11! C(o=-6.1!,f=-23!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -0.53 X(o=-0.53,f=-0.15) USER MOD Single : A 30 LYS NZ :NH3+ -166:sc= -0.0343 (180deg=-0.246) USER MOD Single : A 37 THR OG1 : rot -50:sc= 0.163! USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN :FLIP amide:sc= -0.0591 F(o=-2.6!,f=-0.059) USER MOD Single : A 49 THR OG1 : rot 180:sc= -2.37! USER MOD Single : B 1 GLU N :NH3+ 169:sc= -0.0252 (180deg=-0.157) USER MOD Single : B 3 GLN :FLIP amide:sc= -10.7! C(o=-18!,f=-11!) USER MOD Single : B 4 THR OG1 : rot 24:sc= 0.175 USER MOD Single : B 6 THR OG1 : rot 180:sc= 0 USER MOD Single : B 8 THR OG1 : rot 180:sc= 0 USER MOD Single : B 15 GLN :FLIP amide:sc= -0.112 F(o=-1.4,f=-0.11) USER MOD Single : B 16 ASN :FLIP amide:sc= 0.858 F(o=-7.8!,f=0.86) USER MOD Single : B 25 SER OG : rot 180:sc= 0 USER MOD Single : B 29 ASN : amide:sc= -1.92! C(o=-1.9!,f=-4.4!) USER MOD Single : B 30 LYS NZ :NH3+ -165:sc= -0.0443 (180deg=-0.307) USER MOD Single : B 37 THR OG1 : rot -31:sc= 0.558 USER MOD Single : B 46 TYR OH : rot 180:sc= 0 USER MOD Single : B 48 ASN : amide:sc= -11.5! C(o=-12!,f=-12!) USER MOD Single : B 49 THR OG1 : rot 41:sc= 0.965 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 20.799 -17.785 6.617 1.00 0.00 N ATOM 2 CA GLU A 1 19.767 -16.753 6.342 1.00 0.00 C ATOM 3 C GLU A 1 19.936 -16.173 4.943 1.00 0.00 C ATOM 4 O GLU A 1 20.988 -15.627 4.610 1.00 0.00 O ATOM 5 CB GLU A 1 19.852 -15.633 7.381 1.00 0.00 C ATOM 6 CG GLU A 1 19.641 -16.111 8.809 1.00 0.00 C ATOM 7 CD GLU A 1 20.663 -17.149 9.232 1.00 0.00 C ATOM 8 OE1 GLU A 1 21.802 -17.103 8.723 1.00 0.00 O ATOM 9 OE2 GLU A 1 20.323 -18.007 10.074 1.00 0.00 O ATOM 0 H1 GLU A 1 20.358 -18.599 7.091 1.00 0.00 H new ATOM 0 H2 GLU A 1 21.227 -18.095 5.721 1.00 0.00 H new ATOM 0 H3 GLU A 1 21.536 -17.384 7.232 1.00 0.00 H new ATOM 0 HA GLU A 1 18.788 -17.228 6.403 1.00 0.00 H new ATOM 0 HB2 GLU A 1 20.828 -15.154 7.308 1.00 0.00 H new ATOM 0 HB3 GLU A 1 19.106 -14.874 7.147 1.00 0.00 H new ATOM 0 HG2 GLU A 1 19.693 -15.258 9.486 1.00 0.00 H new ATOM 0 HG3 GLU A 1 18.640 -16.532 8.903 1.00 0.00 H new ATOM 18 N ALA A 2 18.894 -16.294 4.127 1.00 0.00 N ATOM 19 CA ALA A 2 18.929 -15.782 2.762 1.00 0.00 C ATOM 20 C ALA A 2 17.533 -15.402 2.282 1.00 0.00 C ATOM 21 O ALA A 2 17.230 -15.487 1.092 1.00 0.00 O ATOM 22 CB ALA A 2 19.549 -16.810 1.829 1.00 0.00 C ATOM 0 H ALA A 2 18.015 -16.742 4.387 1.00 0.00 H new ATOM 0 HA ALA A 2 19.544 -14.882 2.753 1.00 0.00 H new ATOM 0 HB1 ALA A 2 19.569 -16.415 0.813 1.00 0.00 H new ATOM 0 HB2 ALA A 2 20.566 -17.029 2.153 1.00 0.00 H new ATOM 0 HB3 ALA A 2 18.957 -17.725 1.851 1.00 0.00 H new ATOM 28 N GLN A 3 16.686 -14.981 3.215 1.00 0.00 N ATOM 29 CA GLN A 3 15.323 -14.581 2.887 1.00 0.00 C ATOM 30 C GLN A 3 14.866 -13.431 3.778 1.00 0.00 C ATOM 31 O GLN A 3 14.727 -13.589 4.991 1.00 0.00 O ATOM 32 CB GLN A 3 14.371 -15.769 3.038 1.00 0.00 C ATOM 33 CG GLN A 3 14.718 -16.944 2.139 1.00 0.00 C ATOM 34 CD GLN A 3 13.763 -18.110 2.309 1.00 0.00 C ATOM 35 OE1 GLN A 3 13.985 -18.992 3.139 1.00 0.00 O ATOM 36 NE2 GLN A 3 12.694 -18.119 1.523 1.00 0.00 N ATOM 0 H GLN A 3 16.920 -14.908 4.205 1.00 0.00 H new ATOM 0 HA GLN A 3 15.308 -14.242 1.851 1.00 0.00 H new ATOM 0 HB2 GLN A 3 14.380 -16.101 4.076 1.00 0.00 H new ATOM 0 HB3 GLN A 3 13.355 -15.441 2.817 1.00 0.00 H new ATOM 0 HG2 GLN A 3 14.705 -16.617 1.099 1.00 0.00 H new ATOM 0 HG3 GLN A 3 15.733 -17.276 2.357 1.00 0.00 H new ATOM 0 HE21 GLN A 3 12.550 -17.367 0.849 1.00 0.00 H new ATOM 0 HE22 GLN A 3 12.016 -18.878 1.593 1.00 0.00 H new ATOM 45 N THR A 4 14.637 -12.272 3.170 1.00 0.00 N ATOM 46 CA THR A 4 14.208 -11.092 3.911 1.00 0.00 C ATOM 47 C THR A 4 13.222 -10.260 3.099 1.00 0.00 C ATOM 48 O THR A 4 13.455 -9.975 1.925 1.00 0.00 O ATOM 49 CB THR A 4 15.407 -10.208 4.303 1.00 0.00 C ATOM 50 OG1 THR A 4 16.097 -9.769 3.127 1.00 0.00 O ATOM 51 CG2 THR A 4 16.368 -10.968 5.205 1.00 0.00 C ATOM 0 H THR A 4 14.741 -12.125 2.166 1.00 0.00 H new ATOM 0 HA THR A 4 13.718 -11.449 4.817 1.00 0.00 H new ATOM 0 HB THR A 4 15.029 -9.343 4.848 1.00 0.00 H new ATOM 0 HG1 THR A 4 15.491 -9.809 2.358 1.00 0.00 H new ATOM 0 HG21 THR A 4 17.206 -10.323 5.469 1.00 0.00 H new ATOM 0 HG22 THR A 4 15.848 -11.277 6.112 1.00 0.00 H new ATOM 0 HG23 THR A 4 16.738 -11.849 4.681 1.00 0.00 H new ATOM 59 N GLU A 5 12.122 -9.871 3.734 1.00 0.00 N ATOM 60 CA GLU A 5 11.105 -9.062 3.074 1.00 0.00 C ATOM 61 C GLU A 5 11.127 -7.629 3.598 1.00 0.00 C ATOM 62 O GLU A 5 11.020 -7.396 4.802 1.00 0.00 O ATOM 63 CB GLU A 5 9.719 -9.674 3.286 1.00 0.00 C ATOM 64 CG GLU A 5 9.589 -11.087 2.742 1.00 0.00 C ATOM 65 CD GLU A 5 8.209 -11.674 2.969 1.00 0.00 C ATOM 66 OE1 GLU A 5 7.232 -10.897 3.003 1.00 0.00 O ATOM 67 OE2 GLU A 5 8.107 -12.910 3.113 1.00 0.00 O ATOM 0 H GLU A 5 11.912 -10.103 4.705 1.00 0.00 H new ATOM 0 HA GLU A 5 11.326 -9.044 2.007 1.00 0.00 H new ATOM 0 HB2 GLU A 5 9.494 -9.682 4.352 1.00 0.00 H new ATOM 0 HB3 GLU A 5 8.973 -9.039 2.807 1.00 0.00 H new ATOM 0 HG2 GLU A 5 9.807 -11.083 1.674 1.00 0.00 H new ATOM 0 HG3 GLU A 5 10.334 -11.725 3.217 1.00 0.00 H new ATOM 74 N THR A 6 11.267 -6.673 2.685 1.00 0.00 N ATOM 75 CA THR A 6 11.308 -5.264 3.056 1.00 0.00 C ATOM 76 C THR A 6 10.210 -4.478 2.349 1.00 0.00 C ATOM 77 O THR A 6 10.004 -4.625 1.144 1.00 0.00 O ATOM 78 CB THR A 6 12.672 -4.635 2.717 1.00 0.00 C ATOM 79 OG1 THR A 6 13.717 -5.323 3.415 1.00 0.00 O ATOM 80 CG2 THR A 6 12.695 -3.160 3.088 1.00 0.00 C ATOM 0 H THR A 6 11.354 -6.849 1.684 1.00 0.00 H new ATOM 0 HA THR A 6 11.150 -5.215 4.133 1.00 0.00 H new ATOM 0 HB THR A 6 12.832 -4.726 1.643 1.00 0.00 H new ATOM 0 HG1 THR A 6 14.581 -4.918 3.192 1.00 0.00 H new ATOM 0 HG21 THR A 6 13.668 -2.737 2.839 1.00 0.00 H new ATOM 0 HG22 THR A 6 11.918 -2.633 2.534 1.00 0.00 H new ATOM 0 HG23 THR A 6 12.515 -3.051 4.157 1.00 0.00 H new ATOM 88 N CYS A 7 9.505 -3.643 3.106 1.00 0.00 N ATOM 89 CA CYS A 7 8.424 -2.836 2.551 1.00 0.00 C ATOM 90 C CYS A 7 8.787 -1.355 2.562 1.00 0.00 C ATOM 91 O CYS A 7 7.909 -0.491 2.559 1.00 0.00 O ATOM 92 CB CYS A 7 7.133 -3.062 3.340 1.00 0.00 C ATOM 93 SG CYS A 7 6.539 -4.784 3.318 1.00 0.00 S ATOM 0 H CYS A 7 9.663 -3.508 4.105 1.00 0.00 H new ATOM 0 HA CYS A 7 8.269 -3.145 1.517 1.00 0.00 H new ATOM 0 HB2 CYS A 7 7.294 -2.758 4.374 1.00 0.00 H new ATOM 0 HB3 CYS A 7 6.355 -2.415 2.935 1.00 0.00 H new ATOM 98 N THR A 8 10.084 -1.066 2.572 1.00 0.00 N ATOM 99 CA THR A 8 10.558 0.312 2.573 1.00 0.00 C ATOM 100 C THR A 8 10.383 0.953 1.201 1.00 0.00 C ATOM 101 O THR A 8 11.359 1.306 0.540 1.00 0.00 O ATOM 102 CB THR A 8 12.041 0.397 2.979 1.00 0.00 C ATOM 103 OG1 THR A 8 12.464 1.766 3.008 1.00 0.00 O ATOM 104 CG2 THR A 8 12.913 -0.384 2.007 1.00 0.00 C ATOM 0 H THR A 8 10.825 -1.767 2.580 1.00 0.00 H new ATOM 0 HA THR A 8 9.957 0.852 3.305 1.00 0.00 H new ATOM 0 HB THR A 8 12.148 -0.039 3.972 1.00 0.00 H new ATOM 0 HG1 THR A 8 12.360 2.159 2.116 1.00 0.00 H new ATOM 0 HG21 THR A 8 13.956 -0.310 2.314 1.00 0.00 H new ATOM 0 HG22 THR A 8 12.609 -1.431 2.006 1.00 0.00 H new ATOM 0 HG23 THR A 8 12.799 0.028 1.004 1.00 0.00 H new ATOM 112 N VAL A 9 9.132 1.095 0.776 1.00 0.00 N ATOM 113 CA VAL A 9 8.829 1.681 -0.524 1.00 0.00 C ATOM 114 C VAL A 9 8.479 3.158 -0.394 1.00 0.00 C ATOM 115 O VAL A 9 7.569 3.527 0.349 1.00 0.00 O ATOM 116 CB VAL A 9 7.660 0.950 -1.211 1.00 0.00 C ATOM 117 CG1 VAL A 9 7.390 1.546 -2.584 1.00 0.00 C ATOM 118 CG2 VAL A 9 7.948 -0.539 -1.313 1.00 0.00 C ATOM 0 H VAL A 9 8.312 0.812 1.313 1.00 0.00 H new ATOM 0 HA VAL A 9 9.726 1.574 -1.134 1.00 0.00 H new ATOM 0 HB VAL A 9 6.765 1.081 -0.603 1.00 0.00 H new ATOM 0 HG11 VAL A 9 6.561 1.017 -3.054 1.00 0.00 H new ATOM 0 HG12 VAL A 9 7.134 2.600 -2.479 1.00 0.00 H new ATOM 0 HG13 VAL A 9 8.281 1.449 -3.204 1.00 0.00 H new ATOM 0 HG21 VAL A 9 7.111 -1.039 -1.801 1.00 0.00 H new ATOM 0 HG22 VAL A 9 8.855 -0.695 -1.897 1.00 0.00 H new ATOM 0 HG23 VAL A 9 8.085 -0.952 -0.314 1.00 0.00 H new ATOM 128 N ALA A 10 9.197 4.000 -1.129 1.00 0.00 N ATOM 129 CA ALA A 10 8.936 5.433 -1.117 1.00 0.00 C ATOM 130 C ALA A 10 7.456 5.716 -1.346 1.00 0.00 C ATOM 131 O ALA A 10 6.821 5.095 -2.198 1.00 0.00 O ATOM 132 CB ALA A 10 9.783 6.134 -2.169 1.00 0.00 C ATOM 0 H ALA A 10 9.963 3.715 -1.739 1.00 0.00 H new ATOM 0 HA ALA A 10 9.208 5.823 -0.136 1.00 0.00 H new ATOM 0 HB1 ALA A 10 9.577 7.204 -2.148 1.00 0.00 H new ATOM 0 HB2 ALA A 10 10.839 5.964 -1.959 1.00 0.00 H new ATOM 0 HB3 ALA A 10 9.541 5.737 -3.155 1.00 0.00 H new ATOM 138 N PRO A 11 6.885 6.645 -0.566 1.00 0.00 N ATOM 139 CA PRO A 11 5.461 6.975 -0.635 1.00 0.00 C ATOM 140 C PRO A 11 4.937 7.036 -2.066 1.00 0.00 C ATOM 141 O PRO A 11 3.970 6.357 -2.411 1.00 0.00 O ATOM 142 CB PRO A 11 5.405 8.351 0.021 1.00 0.00 C ATOM 143 CG PRO A 11 6.505 8.329 1.027 1.00 0.00 C ATOM 144 CD PRO A 11 7.584 7.439 0.461 1.00 0.00 C ATOM 0 HA PRO A 11 4.838 6.223 -0.151 1.00 0.00 H new ATOM 0 HB2 PRO A 11 5.552 9.146 -0.710 1.00 0.00 H new ATOM 0 HB3 PRO A 11 4.438 8.527 0.493 1.00 0.00 H new ATOM 0 HG2 PRO A 11 6.886 9.334 1.207 1.00 0.00 H new ATOM 0 HG3 PRO A 11 6.149 7.947 1.984 1.00 0.00 H new ATOM 0 HD2 PRO A 11 8.398 8.022 0.030 1.00 0.00 H new ATOM 0 HD3 PRO A 11 8.021 6.802 1.230 1.00 0.00 H new ATOM 152 N ARG A 12 5.571 7.862 -2.891 1.00 0.00 N ATOM 153 CA ARG A 12 5.140 8.037 -4.274 1.00 0.00 C ATOM 154 C ARG A 12 5.663 6.908 -5.159 1.00 0.00 C ATOM 155 O ARG A 12 5.038 6.551 -6.157 1.00 0.00 O ATOM 156 CB ARG A 12 5.614 9.389 -4.812 1.00 0.00 C ATOM 157 CG ARG A 12 7.123 9.558 -4.792 1.00 0.00 C ATOM 158 CD ARG A 12 7.537 10.925 -5.313 1.00 0.00 C ATOM 159 NE ARG A 12 6.968 12.009 -4.517 1.00 0.00 N ATOM 160 CZ ARG A 12 7.182 13.297 -4.766 1.00 0.00 C ATOM 161 NH1 ARG A 12 7.950 13.658 -5.784 1.00 0.00 N ATOM 162 NH2 ARG A 12 6.628 14.224 -3.997 1.00 0.00 N ATOM 0 H ARG A 12 6.383 8.420 -2.627 1.00 0.00 H new ATOM 0 HA ARG A 12 4.051 8.009 -4.293 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.257 9.508 -5.835 1.00 0.00 H new ATOM 0 HB3 ARG A 12 5.160 10.185 -4.221 1.00 0.00 H new ATOM 0 HG2 ARG A 12 7.491 9.428 -3.774 1.00 0.00 H new ATOM 0 HG3 ARG A 12 7.585 8.780 -5.400 1.00 0.00 H new ATOM 0 HD2 ARG A 12 8.624 11.002 -5.305 1.00 0.00 H new ATOM 0 HD3 ARG A 12 7.217 11.030 -6.350 1.00 0.00 H new ATOM 0 HE ARG A 12 6.373 11.764 -3.726 1.00 0.00 H new ATOM 0 HH11 ARG A 12 8.378 12.947 -6.377 1.00 0.00 H new ATOM 0 HH12 ARG A 12 8.113 14.647 -5.974 1.00 0.00 H new ATOM 0 HH21 ARG A 12 6.036 13.949 -3.213 1.00 0.00 H new ATOM 0 HH22 ARG A 12 6.793 15.212 -4.190 1.00 0.00 H new ATOM 176 N GLU A 13 6.815 6.356 -4.793 1.00 0.00 N ATOM 177 CA GLU A 13 7.427 5.280 -5.567 1.00 0.00 C ATOM 178 C GLU A 13 6.785 3.936 -5.239 1.00 0.00 C ATOM 179 O GLU A 13 7.256 2.889 -5.683 1.00 0.00 O ATOM 180 CB GLU A 13 8.931 5.216 -5.297 1.00 0.00 C ATOM 181 CG GLU A 13 9.684 6.469 -5.718 1.00 0.00 C ATOM 182 CD GLU A 13 9.199 7.712 -4.999 1.00 0.00 C ATOM 183 OE1 GLU A 13 8.721 7.587 -3.852 1.00 0.00 O ATOM 184 OE2 GLU A 13 9.297 8.811 -5.584 1.00 0.00 O ATOM 0 H GLU A 13 7.344 6.635 -3.967 1.00 0.00 H new ATOM 0 HA GLU A 13 7.263 5.493 -6.623 1.00 0.00 H new ATOM 0 HB2 GLU A 13 9.093 5.047 -4.232 1.00 0.00 H new ATOM 0 HB3 GLU A 13 9.349 4.358 -5.823 1.00 0.00 H new ATOM 0 HG2 GLU A 13 10.747 6.332 -5.521 1.00 0.00 H new ATOM 0 HG3 GLU A 13 9.574 6.610 -6.793 1.00 0.00 H new ATOM 191 N ARG A 14 5.707 3.971 -4.463 1.00 0.00 N ATOM 192 CA ARG A 14 5.001 2.752 -4.085 1.00 0.00 C ATOM 193 C ARG A 14 4.183 2.215 -5.253 1.00 0.00 C ATOM 194 O ARG A 14 3.316 2.906 -5.788 1.00 0.00 O ATOM 195 CB ARG A 14 4.093 3.014 -2.883 1.00 0.00 C ATOM 196 CG ARG A 14 4.845 3.486 -1.651 1.00 0.00 C ATOM 197 CD ARG A 14 3.910 3.720 -0.478 1.00 0.00 C ATOM 198 NE ARG A 14 4.629 4.186 0.703 1.00 0.00 N ATOM 199 CZ ARG A 14 4.031 4.580 1.823 1.00 0.00 C ATOM 200 NH1 ARG A 14 2.708 4.563 1.912 1.00 0.00 N ATOM 201 NH2 ARG A 14 4.755 4.993 2.854 1.00 0.00 N ATOM 0 H ARG A 14 5.304 4.828 -4.084 1.00 0.00 H new ATOM 0 HA ARG A 14 5.742 2.002 -3.810 1.00 0.00 H new ATOM 0 HB2 ARG A 14 3.350 3.763 -3.155 1.00 0.00 H new ATOM 0 HB3 ARG A 14 3.551 2.100 -2.641 1.00 0.00 H new ATOM 0 HG2 ARG A 14 5.595 2.744 -1.376 1.00 0.00 H new ATOM 0 HG3 ARG A 14 5.378 4.408 -1.881 1.00 0.00 H new ATOM 0 HD2 ARG A 14 3.154 4.454 -0.757 1.00 0.00 H new ATOM 0 HD3 ARG A 14 3.384 2.795 -0.242 1.00 0.00 H new ATOM 0 HE ARG A 14 5.648 4.211 0.667 1.00 0.00 H new ATOM 0 HH11 ARG A 14 2.148 4.247 1.120 1.00 0.00 H new ATOM 0 HH12 ARG A 14 2.251 4.866 2.772 1.00 0.00 H new ATOM 0 HH21 ARG A 14 5.773 5.009 2.789 1.00 0.00 H new ATOM 0 HH22 ARG A 14 4.294 5.295 3.712 1.00 0.00 H new ATOM 215 N GLN A 15 4.479 0.984 -5.657 1.00 0.00 N ATOM 216 CA GLN A 15 3.807 0.371 -6.796 1.00 0.00 C ATOM 217 C GLN A 15 2.463 -0.220 -6.382 1.00 0.00 C ATOM 218 O GLN A 15 2.343 -1.427 -6.169 1.00 0.00 O ATOM 219 CB GLN A 15 4.691 -0.715 -7.409 1.00 0.00 C ATOM 220 CG GLN A 15 6.082 -0.225 -7.781 1.00 0.00 C ATOM 221 CD GLN A 15 6.050 0.977 -8.704 1.00 0.00 C ATOM 222 OE1 GLN A 15 6.026 2.121 -8.250 1.00 0.00 O ATOM 223 NE2 GLN A 15 6.050 0.725 -10.007 1.00 0.00 N ATOM 0 H GLN A 15 5.180 0.392 -5.212 1.00 0.00 H new ATOM 0 HA GLN A 15 3.626 1.146 -7.541 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.782 -1.540 -6.703 1.00 0.00 H new ATOM 0 HB3 GLN A 15 4.203 -1.110 -8.300 1.00 0.00 H new ATOM 0 HG2 GLN A 15 6.627 0.033 -6.873 1.00 0.00 H new ATOM 0 HG3 GLN A 15 6.631 -1.034 -8.263 1.00 0.00 H new ATOM 0 HE21 GLN A 15 6.070 -0.239 -10.340 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.030 1.495 -10.675 1.00 0.00 H new ATOM 232 N ASN A 16 1.455 0.639 -6.273 1.00 0.00 N ATOM 233 CA ASN A 16 0.116 0.207 -5.891 1.00 0.00 C ATOM 234 C ASN A 16 -0.086 -1.277 -6.186 1.00 0.00 C ATOM 235 O ASN A 16 0.484 -1.815 -7.135 1.00 0.00 O ATOM 236 CB ASN A 16 -0.936 1.035 -6.631 1.00 0.00 C ATOM 237 CG ASN A 16 -2.352 0.622 -6.279 1.00 0.00 C ATOM 238 OD1 ASN A 16 -2.613 -0.541 -5.975 1.00 0.00 O ATOM 239 ND2 ASN A 16 -3.274 1.577 -6.320 1.00 0.00 N ATOM 0 H ASN A 16 1.541 1.641 -6.444 1.00 0.00 H new ATOM 0 HA ASN A 16 0.004 0.361 -4.818 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -0.798 2.089 -6.392 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -0.787 0.930 -7.706 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -4.244 1.359 -6.094 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -3.012 2.528 -6.578 1.00 0.00 H new ATOM 246 N CYS A 17 -0.904 -1.932 -5.367 1.00 0.00 N ATOM 247 CA CYS A 17 -1.191 -3.350 -5.545 1.00 0.00 C ATOM 248 C CYS A 17 -2.683 -3.618 -5.400 1.00 0.00 C ATOM 249 O CYS A 17 -3.137 -4.757 -5.513 1.00 0.00 O ATOM 250 CB CYS A 17 -0.409 -4.185 -4.529 1.00 0.00 C ATOM 251 SG CYS A 17 -0.782 -5.968 -4.587 1.00 0.00 S ATOM 0 H CYS A 17 -1.379 -1.502 -4.574 1.00 0.00 H new ATOM 0 HA CYS A 17 -0.881 -3.636 -6.550 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.658 -4.042 -4.701 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -0.623 -3.812 -3.527 1.00 0.00 H new ATOM 256 N GLY A 18 -3.439 -2.557 -5.151 1.00 0.00 N ATOM 257 CA GLY A 18 -4.875 -2.683 -4.998 1.00 0.00 C ATOM 258 C GLY A 18 -5.577 -1.340 -5.038 1.00 0.00 C ATOM 259 O GLY A 18 -5.270 -0.496 -5.878 1.00 0.00 O ATOM 0 H GLY A 18 -3.081 -1.607 -5.052 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -5.268 -3.320 -5.790 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -5.096 -3.178 -4.052 1.00 0.00 H new ATOM 263 N PHE A 19 -6.523 -1.143 -4.127 1.00 0.00 N ATOM 264 CA PHE A 19 -7.266 0.110 -4.056 1.00 0.00 C ATOM 265 C PHE A 19 -6.806 0.950 -2.870 1.00 0.00 C ATOM 266 O PHE A 19 -6.049 0.480 -2.020 1.00 0.00 O ATOM 267 CB PHE A 19 -8.768 -0.165 -3.955 1.00 0.00 C ATOM 268 CG PHE A 19 -9.155 -0.970 -2.747 1.00 0.00 C ATOM 269 CD1 PHE A 19 -8.914 -2.334 -2.702 1.00 0.00 C ATOM 270 CD2 PHE A 19 -9.760 -0.363 -1.659 1.00 0.00 C ATOM 271 CE1 PHE A 19 -9.270 -3.077 -1.593 1.00 0.00 C ATOM 272 CE2 PHE A 19 -10.119 -1.101 -0.547 1.00 0.00 C ATOM 273 CZ PHE A 19 -9.874 -2.460 -0.514 1.00 0.00 C ATOM 0 H PHE A 19 -6.794 -1.834 -3.428 1.00 0.00 H new ATOM 0 HA PHE A 19 -7.070 0.671 -4.970 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -9.302 0.785 -3.934 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -9.093 -0.693 -4.852 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -8.443 -2.821 -3.543 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -9.953 0.699 -1.680 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -9.076 -4.139 -1.569 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -10.590 -0.616 0.295 1.00 0.00 H new ATOM 0 HZ PHE A 19 -10.154 -3.039 0.353 1.00 0.00 H new ATOM 283 N PRO A 20 -7.259 2.211 -2.803 1.00 0.00 N ATOM 284 CA PRO A 20 -6.889 3.130 -1.723 1.00 0.00 C ATOM 285 C PRO A 20 -7.509 2.735 -0.387 1.00 0.00 C ATOM 286 O PRO A 20 -7.128 3.252 0.663 1.00 0.00 O ATOM 287 CB PRO A 20 -7.445 4.475 -2.194 1.00 0.00 C ATOM 288 CG PRO A 20 -8.567 4.122 -3.108 1.00 0.00 C ATOM 289 CD PRO A 20 -8.166 2.838 -3.780 1.00 0.00 C ATOM 0 HA PRO A 20 -5.814 3.137 -1.546 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -7.793 5.076 -1.354 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -6.683 5.060 -2.710 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -9.497 3.998 -2.554 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -8.735 4.910 -3.842 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -9.030 2.207 -3.989 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -7.667 3.021 -4.732 1.00 0.00 H new ATOM 297 N GLY A 21 -8.468 1.815 -0.434 1.00 0.00 N ATOM 298 CA GLY A 21 -9.125 1.367 0.780 1.00 0.00 C ATOM 299 C GLY A 21 -8.554 0.062 1.300 1.00 0.00 C ATOM 300 O GLY A 21 -8.700 -0.262 2.478 1.00 0.00 O ATOM 0 H GLY A 21 -8.801 1.372 -1.290 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -9.026 2.135 1.547 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -10.191 1.243 0.588 1.00 0.00 H new ATOM 304 N VAL A 22 -7.903 -0.689 0.417 1.00 0.00 N ATOM 305 CA VAL A 22 -7.311 -1.967 0.789 1.00 0.00 C ATOM 306 C VAL A 22 -6.993 -2.016 2.280 1.00 0.00 C ATOM 307 O VAL A 22 -6.717 -0.989 2.900 1.00 0.00 O ATOM 308 CB VAL A 22 -6.021 -2.241 -0.006 1.00 0.00 C ATOM 309 CG1 VAL A 22 -6.314 -2.302 -1.497 1.00 0.00 C ATOM 310 CG2 VAL A 22 -4.974 -1.179 0.296 1.00 0.00 C ATOM 0 H VAL A 22 -7.773 -0.433 -0.562 1.00 0.00 H new ATOM 0 HA VAL A 22 -8.047 -2.735 0.552 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.625 -3.209 0.302 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.390 -2.496 -2.042 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -7.027 -3.102 -1.695 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -6.735 -1.351 -1.824 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -4.069 -1.388 -0.274 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -5.360 -0.198 0.018 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.742 -1.189 1.361 1.00 0.00 H new ATOM 320 N THR A 23 -7.031 -3.217 2.848 1.00 0.00 N ATOM 321 CA THR A 23 -6.737 -3.402 4.263 1.00 0.00 C ATOM 322 C THR A 23 -5.553 -4.342 4.459 1.00 0.00 C ATOM 323 O THR A 23 -5.145 -5.043 3.533 1.00 0.00 O ATOM 324 CB THR A 23 -7.955 -3.964 5.021 1.00 0.00 C ATOM 325 OG1 THR A 23 -8.337 -5.229 4.467 1.00 0.00 O ATOM 326 CG2 THR A 23 -9.128 -2.999 4.951 1.00 0.00 C ATOM 0 H THR A 23 -7.263 -4.076 2.349 1.00 0.00 H new ATOM 0 HA THR A 23 -6.489 -2.420 4.666 1.00 0.00 H new ATOM 0 HB THR A 23 -7.675 -4.096 6.066 1.00 0.00 H new ATOM 0 HG1 THR A 23 -9.211 -5.145 4.031 1.00 0.00 H new ATOM 0 HG21 THR A 23 -9.976 -3.417 5.493 1.00 0.00 H new ATOM 0 HG22 THR A 23 -8.844 -2.047 5.400 1.00 0.00 H new ATOM 0 HG23 THR A 23 -9.406 -2.839 3.909 1.00 0.00 H new ATOM 334 N PRO A 24 -4.986 -4.363 5.674 1.00 0.00 N ATOM 335 CA PRO A 24 -3.836 -5.215 5.998 1.00 0.00 C ATOM 336 C PRO A 24 -4.077 -6.676 5.633 1.00 0.00 C ATOM 337 O PRO A 24 -3.163 -7.376 5.197 1.00 0.00 O ATOM 338 CB PRO A 24 -3.694 -5.059 7.514 1.00 0.00 C ATOM 339 CG PRO A 24 -4.303 -3.734 7.817 1.00 0.00 C ATOM 340 CD PRO A 24 -5.421 -3.556 6.827 1.00 0.00 C ATOM 0 HA PRO A 24 -2.945 -4.926 5.441 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -4.207 -5.861 8.044 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -2.648 -5.093 7.819 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -4.679 -3.702 8.840 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -3.567 -2.935 7.722 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -6.372 -3.907 7.227 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -5.556 -2.509 6.557 1.00 0.00 H new ATOM 348 N SER A 25 -5.312 -7.130 5.816 1.00 0.00 N ATOM 349 CA SER A 25 -5.672 -8.510 5.511 1.00 0.00 C ATOM 350 C SER A 25 -5.886 -8.700 4.013 1.00 0.00 C ATOM 351 O SER A 25 -5.362 -9.640 3.415 1.00 0.00 O ATOM 352 CB SER A 25 -6.937 -8.908 6.274 1.00 0.00 C ATOM 353 OG SER A 25 -7.304 -10.247 5.990 1.00 0.00 O ATOM 0 H SER A 25 -6.081 -6.563 6.174 1.00 0.00 H new ATOM 0 HA SER A 25 -4.849 -9.152 5.825 1.00 0.00 H new ATOM 0 HB2 SER A 25 -6.771 -8.793 7.345 1.00 0.00 H new ATOM 0 HB3 SER A 25 -7.754 -8.239 6.004 1.00 0.00 H new ATOM 0 HG SER A 25 -8.114 -10.477 6.491 1.00 0.00 H new ATOM 359 N GLN A 26 -6.662 -7.804 3.413 1.00 0.00 N ATOM 360 CA GLN A 26 -6.957 -7.880 1.987 1.00 0.00 C ATOM 361 C GLN A 26 -5.678 -7.791 1.160 1.00 0.00 C ATOM 362 O GLN A 26 -5.490 -8.547 0.207 1.00 0.00 O ATOM 363 CB GLN A 26 -7.917 -6.760 1.583 1.00 0.00 C ATOM 364 CG GLN A 26 -9.249 -6.808 2.313 1.00 0.00 C ATOM 365 CD GLN A 26 -10.184 -5.690 1.896 1.00 0.00 C ATOM 366 OE1 GLN A 26 -10.104 -4.561 2.590 1.00 0.00 O flip ATOM 367 NE2 GLN A 26 -10.970 -5.839 0.960 1.00 0.00 N flip ATOM 0 H GLN A 26 -7.098 -7.016 3.892 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.429 -8.843 1.791 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -7.441 -5.798 1.775 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -8.098 -6.817 0.510 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -9.729 -7.768 2.122 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -9.073 -6.747 3.387 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -10.998 -6.724 0.454 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -11.593 -5.077 0.691 1.00 0.00 H new ATOM 376 N CYS A 27 -4.803 -6.862 1.530 1.00 0.00 N ATOM 377 CA CYS A 27 -3.546 -6.669 0.817 1.00 0.00 C ATOM 378 C CYS A 27 -2.554 -7.778 1.153 1.00 0.00 C ATOM 379 O CYS A 27 -2.093 -8.501 0.269 1.00 0.00 O ATOM 380 CB CYS A 27 -2.943 -5.307 1.163 1.00 0.00 C ATOM 381 SG CYS A 27 -1.393 -4.934 0.282 1.00 0.00 S ATOM 0 H CYS A 27 -4.941 -6.231 2.319 1.00 0.00 H new ATOM 0 HA CYS A 27 -3.755 -6.705 -0.252 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -3.673 -4.530 0.936 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -2.757 -5.266 2.236 1.00 0.00 H new ATOM 386 N ALA A 28 -2.232 -7.908 2.436 1.00 0.00 N ATOM 387 CA ALA A 28 -1.302 -8.935 2.888 1.00 0.00 C ATOM 388 C ALA A 28 -1.734 -10.315 2.407 1.00 0.00 C ATOM 389 O ALA A 28 -0.952 -11.265 2.428 1.00 0.00 O ATOM 390 CB ALA A 28 -1.189 -8.914 4.405 1.00 0.00 C ATOM 0 H ALA A 28 -2.601 -7.316 3.180 1.00 0.00 H new ATOM 0 HA ALA A 28 -0.323 -8.719 2.459 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -0.491 -9.686 4.729 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.827 -7.938 4.729 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -2.168 -9.102 4.845 1.00 0.00 H new ATOM 396 N ASN A 29 -2.985 -10.417 1.970 1.00 0.00 N ATOM 397 CA ASN A 29 -3.522 -11.680 1.475 1.00 0.00 C ATOM 398 C ASN A 29 -3.344 -11.792 -0.036 1.00 0.00 C ATOM 399 O ASN A 29 -3.488 -12.871 -0.610 1.00 0.00 O ATOM 400 CB ASN A 29 -5.003 -11.804 1.837 1.00 0.00 C ATOM 401 CG ASN A 29 -5.617 -13.092 1.324 1.00 0.00 C ATOM 402 OD1 ASN A 29 -5.611 -14.113 2.011 1.00 0.00 O ATOM 403 ND2 ASN A 29 -6.153 -13.049 0.109 1.00 0.00 N ATOM 0 H ASN A 29 -3.646 -9.640 1.948 1.00 0.00 H new ATOM 0 HA ASN A 29 -2.970 -12.492 1.948 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -5.115 -11.758 2.920 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -5.548 -10.955 1.424 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -6.582 -13.884 -0.289 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -6.136 -12.181 -0.426 1.00 0.00 H new ATOM 410 N LYS A 30 -3.031 -10.669 -0.676 1.00 0.00 N ATOM 411 CA LYS A 30 -2.837 -10.642 -2.121 1.00 0.00 C ATOM 412 C LYS A 30 -1.354 -10.697 -2.473 1.00 0.00 C ATOM 413 O LYS A 30 -0.984 -10.713 -3.647 1.00 0.00 O ATOM 414 CB LYS A 30 -3.468 -9.383 -2.718 1.00 0.00 C ATOM 415 CG LYS A 30 -3.309 -9.280 -4.226 1.00 0.00 C ATOM 416 CD LYS A 30 -3.947 -10.465 -4.935 1.00 0.00 C ATOM 417 CE LYS A 30 -3.785 -10.365 -6.443 1.00 0.00 C ATOM 418 NZ LYS A 30 -4.423 -9.136 -6.990 1.00 0.00 N ATOM 0 H LYS A 30 -2.907 -9.767 -0.217 1.00 0.00 H new ATOM 0 HA LYS A 30 -3.325 -11.520 -2.544 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -4.529 -9.366 -2.471 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -3.019 -8.506 -2.253 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -3.765 -8.355 -4.579 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -2.250 -9.230 -4.479 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -3.493 -11.390 -4.580 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -5.007 -10.513 -4.684 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -2.725 -10.366 -6.695 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -4.226 -11.243 -6.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -4.502 -9.217 -8.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -5.371 -9.024 -6.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -3.842 -8.307 -6.751 1.00 0.00 H new ATOM 432 N GLY A 31 -0.508 -10.728 -1.448 1.00 0.00 N ATOM 433 CA GLY A 31 0.924 -10.789 -1.671 1.00 0.00 C ATOM 434 C GLY A 31 1.541 -9.419 -1.874 1.00 0.00 C ATOM 435 O GLY A 31 2.345 -9.221 -2.785 1.00 0.00 O ATOM 0 H GLY A 31 -0.789 -10.712 -0.468 1.00 0.00 H new ATOM 0 HA2 GLY A 31 1.400 -11.275 -0.820 1.00 0.00 H new ATOM 0 HA3 GLY A 31 1.126 -11.408 -2.545 1.00 0.00 H new ATOM 439 N CYS A 32 1.167 -8.472 -1.020 1.00 0.00 N ATOM 440 CA CYS A 32 1.699 -7.116 -1.102 1.00 0.00 C ATOM 441 C CYS A 32 1.748 -6.464 0.276 1.00 0.00 C ATOM 442 O CYS A 32 0.954 -6.790 1.158 1.00 0.00 O ATOM 443 CB CYS A 32 0.850 -6.266 -2.048 1.00 0.00 C ATOM 444 SG CYS A 32 0.867 -6.833 -3.779 1.00 0.00 S ATOM 0 H CYS A 32 0.498 -8.618 -0.264 1.00 0.00 H new ATOM 0 HA CYS A 32 2.715 -7.178 -1.492 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -0.179 -6.261 -1.689 1.00 0.00 H new ATOM 0 HB3 CYS A 32 1.205 -5.236 -2.011 1.00 0.00 H new ATOM 449 N CYS A 33 2.682 -5.534 0.449 1.00 0.00 N ATOM 450 CA CYS A 33 2.820 -4.815 1.709 1.00 0.00 C ATOM 451 C CYS A 33 1.617 -3.912 1.953 1.00 0.00 C ATOM 452 O CYS A 33 0.940 -3.494 1.013 1.00 0.00 O ATOM 453 CB CYS A 33 4.102 -3.980 1.706 1.00 0.00 C ATOM 454 SG CYS A 33 5.628 -4.957 1.513 1.00 0.00 S ATOM 0 H CYS A 33 3.354 -5.261 -0.268 1.00 0.00 H new ATOM 0 HA CYS A 33 2.873 -5.549 2.513 1.00 0.00 H new ATOM 0 HB2 CYS A 33 4.046 -3.251 0.898 1.00 0.00 H new ATOM 0 HB3 CYS A 33 4.159 -3.418 2.638 1.00 0.00 H new ATOM 459 N PHE A 34 1.358 -3.609 3.221 1.00 0.00 N ATOM 460 CA PHE A 34 0.248 -2.737 3.585 1.00 0.00 C ATOM 461 C PHE A 34 0.713 -1.633 4.528 1.00 0.00 C ATOM 462 O PHE A 34 1.041 -1.889 5.687 1.00 0.00 O ATOM 463 CB PHE A 34 -0.873 -3.545 4.239 1.00 0.00 C ATOM 464 CG PHE A 34 -2.070 -2.715 4.606 1.00 0.00 C ATOM 465 CD1 PHE A 34 -2.141 -2.085 5.838 1.00 0.00 C ATOM 466 CD2 PHE A 34 -3.123 -2.564 3.718 1.00 0.00 C ATOM 467 CE1 PHE A 34 -3.240 -1.319 6.177 1.00 0.00 C ATOM 468 CE2 PHE A 34 -4.224 -1.799 4.052 1.00 0.00 C ATOM 469 CZ PHE A 34 -4.283 -1.176 5.283 1.00 0.00 C ATOM 0 H PHE A 34 1.901 -3.954 4.012 1.00 0.00 H new ATOM 0 HA PHE A 34 -0.133 -2.276 2.674 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -1.184 -4.337 3.558 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -0.487 -4.029 5.136 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -1.328 -2.194 6.541 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -3.083 -3.050 2.754 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -3.283 -0.833 7.140 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -5.038 -1.688 3.351 1.00 0.00 H new ATOM 0 HZ PHE A 34 -5.143 -0.578 5.546 1.00 0.00 H new ATOM 479 N ASP A 35 0.743 -0.405 4.023 1.00 0.00 N ATOM 480 CA ASP A 35 1.180 0.738 4.816 1.00 0.00 C ATOM 481 C ASP A 35 0.285 1.947 4.567 1.00 0.00 C ATOM 482 O ASP A 35 0.544 2.748 3.669 1.00 0.00 O ATOM 483 CB ASP A 35 2.633 1.088 4.488 1.00 0.00 C ATOM 484 CG ASP A 35 3.138 2.271 5.289 1.00 0.00 C ATOM 485 OD1 ASP A 35 2.317 3.146 5.636 1.00 0.00 O ATOM 486 OD2 ASP A 35 4.354 2.323 5.570 1.00 0.00 O ATOM 0 H ASP A 35 0.470 -0.175 3.068 1.00 0.00 H new ATOM 0 HA ASP A 35 1.108 0.466 5.869 1.00 0.00 H new ATOM 0 HB2 ASP A 35 3.266 0.223 4.685 1.00 0.00 H new ATOM 0 HB3 ASP A 35 2.719 1.310 3.424 1.00 0.00 H new ATOM 491 N ASP A 36 -0.767 2.072 5.368 1.00 0.00 N ATOM 492 CA ASP A 36 -1.700 3.185 5.235 1.00 0.00 C ATOM 493 C ASP A 36 -1.250 4.376 6.075 1.00 0.00 C ATOM 494 O ASP A 36 -1.875 5.436 6.052 1.00 0.00 O ATOM 495 CB ASP A 36 -3.106 2.753 5.654 1.00 0.00 C ATOM 496 CG ASP A 36 -3.162 2.284 7.095 1.00 0.00 C ATOM 497 OD1 ASP A 36 -2.142 1.757 7.587 1.00 0.00 O ATOM 498 OD2 ASP A 36 -4.225 2.444 7.731 1.00 0.00 O ATOM 0 H ASP A 36 -0.995 1.417 6.116 1.00 0.00 H new ATOM 0 HA ASP A 36 -1.718 3.488 4.188 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -3.795 3.587 5.519 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -3.446 1.950 5.000 1.00 0.00 H new ATOM 503 N THR A 37 -0.161 4.193 6.815 1.00 0.00 N ATOM 504 CA THR A 37 0.374 5.253 7.662 1.00 0.00 C ATOM 505 C THR A 37 0.492 6.564 6.891 1.00 0.00 C ATOM 506 O THR A 37 0.793 7.609 7.467 1.00 0.00 O ATOM 507 CB THR A 37 1.756 4.878 8.227 1.00 0.00 C ATOM 508 OG1 THR A 37 2.682 4.659 7.156 1.00 0.00 O ATOM 509 CG2 THR A 37 1.667 3.627 9.089 1.00 0.00 C ATOM 0 H THR A 37 0.368 3.321 6.845 1.00 0.00 H new ATOM 0 HA THR A 37 -0.325 5.381 8.488 1.00 0.00 H new ATOM 0 HB THR A 37 2.106 5.704 8.846 1.00 0.00 H new ATOM 0 HG1 THR A 37 2.285 4.048 6.500 1.00 0.00 H new ATOM 0 HG21 THR A 37 2.656 3.381 9.477 1.00 0.00 H new ATOM 0 HG22 THR A 37 0.985 3.806 9.920 1.00 0.00 H new ATOM 0 HG23 THR A 37 1.297 2.797 8.488 1.00 0.00 H new ATOM 517 N VAL A 38 0.251 6.499 5.586 1.00 0.00 N ATOM 518 CA VAL A 38 0.329 7.680 4.735 1.00 0.00 C ATOM 519 C VAL A 38 -0.776 7.674 3.684 1.00 0.00 C ATOM 520 O VAL A 38 -0.697 6.953 2.690 1.00 0.00 O ATOM 521 CB VAL A 38 1.693 7.775 4.026 1.00 0.00 C ATOM 522 CG1 VAL A 38 1.752 9.013 3.146 1.00 0.00 C ATOM 523 CG2 VAL A 38 2.824 7.780 5.044 1.00 0.00 C ATOM 0 H VAL A 38 0.000 5.641 5.095 1.00 0.00 H new ATOM 0 HA VAL A 38 0.205 8.546 5.386 1.00 0.00 H new ATOM 0 HB VAL A 38 1.813 6.899 3.388 1.00 0.00 H new ATOM 0 HG11 VAL A 38 2.723 9.063 2.653 1.00 0.00 H new ATOM 0 HG12 VAL A 38 0.965 8.962 2.393 1.00 0.00 H new ATOM 0 HG13 VAL A 38 1.610 9.903 3.760 1.00 0.00 H new ATOM 0 HG21 VAL A 38 3.780 7.848 4.525 1.00 0.00 H new ATOM 0 HG22 VAL A 38 2.711 8.636 5.709 1.00 0.00 H new ATOM 0 HG23 VAL A 38 2.792 6.860 5.628 1.00 0.00 H new ATOM 533 N ARG A 39 -1.804 8.485 3.910 1.00 0.00 N ATOM 534 CA ARG A 39 -2.921 8.580 2.977 1.00 0.00 C ATOM 535 C ARG A 39 -2.486 9.252 1.680 1.00 0.00 C ATOM 536 O ARG A 39 -1.292 9.388 1.410 1.00 0.00 O ATOM 537 CB ARG A 39 -4.076 9.359 3.608 1.00 0.00 C ATOM 538 CG ARG A 39 -3.711 10.783 3.994 1.00 0.00 C ATOM 539 CD ARG A 39 -4.889 11.508 4.624 1.00 0.00 C ATOM 540 NE ARG A 39 -5.353 10.846 5.839 1.00 0.00 N ATOM 541 CZ ARG A 39 -6.369 11.286 6.576 1.00 0.00 C ATOM 542 NH1 ARG A 39 -7.021 12.384 6.220 1.00 0.00 N ATOM 543 NH2 ARG A 39 -6.732 10.628 7.668 1.00 0.00 N ATOM 0 H ARG A 39 -1.887 9.085 4.730 1.00 0.00 H new ATOM 0 HA ARG A 39 -3.259 7.570 2.747 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -4.911 9.384 2.908 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -4.419 8.828 4.496 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.875 10.769 4.693 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.378 11.327 3.110 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -4.601 12.533 4.857 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -5.707 11.562 3.906 1.00 0.00 H new ATOM 0 HE ARG A 39 -4.871 9.999 6.140 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -6.744 12.892 5.380 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -7.800 12.721 6.786 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -6.232 9.783 7.944 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -7.511 10.967 8.232 1.00 0.00 H new ATOM 557 N GLY A 40 -3.460 9.665 0.876 1.00 0.00 N ATOM 558 CA GLY A 40 -3.153 10.297 -0.393 1.00 0.00 C ATOM 559 C GLY A 40 -2.491 9.343 -1.367 1.00 0.00 C ATOM 560 O GLY A 40 -2.724 9.416 -2.573 1.00 0.00 O ATOM 0 H GLY A 40 -4.455 9.573 1.080 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.071 10.684 -0.835 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.497 11.151 -0.222 1.00 0.00 H new ATOM 564 N VAL A 41 -1.670 8.440 -0.840 1.00 0.00 N ATOM 565 CA VAL A 41 -0.989 7.452 -1.668 1.00 0.00 C ATOM 566 C VAL A 41 -1.576 6.061 -1.451 1.00 0.00 C ATOM 567 O VAL A 41 -2.340 5.839 -0.512 1.00 0.00 O ATOM 568 CB VAL A 41 0.522 7.412 -1.370 1.00 0.00 C ATOM 569 CG1 VAL A 41 1.159 8.764 -1.652 1.00 0.00 C ATOM 570 CG2 VAL A 41 0.771 6.988 0.070 1.00 0.00 C ATOM 0 H VAL A 41 -1.461 8.372 0.156 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.137 7.751 -2.706 1.00 0.00 H new ATOM 0 HB VAL A 41 0.983 6.675 -2.027 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.226 8.716 -1.436 1.00 0.00 H new ATOM 0 HG12 VAL A 41 1.013 9.023 -2.701 1.00 0.00 H new ATOM 0 HG13 VAL A 41 0.695 9.523 -1.022 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.844 6.965 0.262 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.296 7.699 0.746 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.352 5.995 0.235 1.00 0.00 H new ATOM 580 N PRO A 42 -1.222 5.106 -2.324 1.00 0.00 N ATOM 581 CA PRO A 42 -1.711 3.727 -2.231 1.00 0.00 C ATOM 582 C PRO A 42 -1.158 3.001 -1.009 1.00 0.00 C ATOM 583 O PRO A 42 0.055 2.851 -0.860 1.00 0.00 O ATOM 584 CB PRO A 42 -1.197 3.077 -3.518 1.00 0.00 C ATOM 585 CG PRO A 42 -0.015 3.893 -3.912 1.00 0.00 C ATOM 586 CD PRO A 42 -0.315 5.298 -3.469 1.00 0.00 C ATOM 0 HA PRO A 42 -2.795 3.685 -2.123 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -0.921 2.036 -3.352 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -1.960 3.084 -4.297 1.00 0.00 H new ATOM 0 HG2 PRO A 42 0.892 3.520 -3.437 1.00 0.00 H new ATOM 0 HG3 PRO A 42 0.147 3.850 -4.989 1.00 0.00 H new ATOM 0 HD2 PRO A 42 0.591 5.831 -3.180 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -0.786 5.878 -4.263 1.00 0.00 H new ATOM 594 N TRP A 43 -2.054 2.556 -0.135 1.00 0.00 N ATOM 595 CA TRP A 43 -1.654 1.856 1.079 1.00 0.00 C ATOM 596 C TRP A 43 -1.097 0.474 0.753 1.00 0.00 C ATOM 597 O TRP A 43 -0.143 0.015 1.380 1.00 0.00 O ATOM 598 CB TRP A 43 -2.840 1.730 2.037 1.00 0.00 C ATOM 599 CG TRP A 43 -3.399 3.052 2.465 1.00 0.00 C ATOM 600 CD1 TRP A 43 -2.769 4.262 2.419 1.00 0.00 C ATOM 601 CD2 TRP A 43 -4.702 3.298 3.008 1.00 0.00 C ATOM 602 NE1 TRP A 43 -3.600 5.246 2.897 1.00 0.00 N ATOM 603 CE2 TRP A 43 -4.792 4.679 3.265 1.00 0.00 C ATOM 604 CE3 TRP A 43 -5.801 2.485 3.300 1.00 0.00 C ATOM 605 CZ2 TRP A 43 -5.937 5.264 3.800 1.00 0.00 C ATOM 606 CZ3 TRP A 43 -6.937 3.067 3.831 1.00 0.00 C ATOM 607 CH2 TRP A 43 -6.997 4.445 4.076 1.00 0.00 C ATOM 0 H TRP A 43 -3.062 2.668 -0.245 1.00 0.00 H new ATOM 0 HA TRP A 43 -0.869 2.439 1.561 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -3.627 1.149 1.556 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -2.527 1.173 2.920 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -1.763 4.422 2.059 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -3.368 6.237 2.967 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -5.763 1.422 3.114 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -5.986 6.326 3.990 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -7.792 2.449 4.061 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -7.899 4.869 4.491 1.00 0.00 H new ATOM 618 N CYS A 44 -1.697 -0.184 -0.235 1.00 0.00 N ATOM 619 CA CYS A 44 -1.253 -1.510 -0.647 1.00 0.00 C ATOM 620 C CYS A 44 -0.320 -1.420 -1.850 1.00 0.00 C ATOM 621 O CYS A 44 -0.644 -0.784 -2.853 1.00 0.00 O ATOM 622 CB CYS A 44 -2.456 -2.392 -0.984 1.00 0.00 C ATOM 623 SG CYS A 44 -2.019 -4.096 -1.458 1.00 0.00 S ATOM 0 H CYS A 44 -2.490 0.179 -0.764 1.00 0.00 H new ATOM 0 HA CYS A 44 -0.706 -1.957 0.183 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -3.121 -2.426 -0.121 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -3.014 -1.931 -1.799 1.00 0.00 H new ATOM 628 N PHE A 45 0.840 -2.058 -1.742 1.00 0.00 N ATOM 629 CA PHE A 45 1.824 -2.043 -2.818 1.00 0.00 C ATOM 630 C PHE A 45 2.694 -3.294 -2.778 1.00 0.00 C ATOM 631 O PHE A 45 2.762 -3.983 -1.760 1.00 0.00 O ATOM 632 CB PHE A 45 2.701 -0.794 -2.717 1.00 0.00 C ATOM 633 CG PHE A 45 3.452 -0.691 -1.419 1.00 0.00 C ATOM 634 CD1 PHE A 45 2.880 -0.068 -0.321 1.00 0.00 C ATOM 635 CD2 PHE A 45 4.728 -1.216 -1.298 1.00 0.00 C ATOM 636 CE1 PHE A 45 3.568 0.029 0.874 1.00 0.00 C ATOM 637 CE2 PHE A 45 5.421 -1.122 -0.106 1.00 0.00 C ATOM 638 CZ PHE A 45 4.840 -0.499 0.981 1.00 0.00 C ATOM 0 H PHE A 45 1.122 -2.592 -0.920 1.00 0.00 H new ATOM 0 HA PHE A 45 1.288 -2.027 -3.767 1.00 0.00 H new ATOM 0 HB2 PHE A 45 3.414 -0.793 -3.541 1.00 0.00 H new ATOM 0 HB3 PHE A 45 2.075 0.090 -2.836 1.00 0.00 H new ATOM 0 HD1 PHE A 45 1.886 0.346 -0.400 1.00 0.00 H new ATOM 0 HD2 PHE A 45 5.187 -1.704 -2.145 1.00 0.00 H new ATOM 0 HE1 PHE A 45 3.112 0.517 1.723 1.00 0.00 H new ATOM 0 HE2 PHE A 45 6.416 -1.535 -0.025 1.00 0.00 H new ATOM 0 HZ PHE A 45 5.380 -0.425 1.914 1.00 0.00 H new ATOM 648 N TYR A 46 3.358 -3.583 -3.893 1.00 0.00 N ATOM 649 CA TYR A 46 4.223 -4.752 -3.986 1.00 0.00 C ATOM 650 C TYR A 46 5.439 -4.606 -3.077 1.00 0.00 C ATOM 651 O TYR A 46 6.043 -3.536 -2.998 1.00 0.00 O ATOM 652 CB TYR A 46 4.670 -4.968 -5.432 1.00 0.00 C ATOM 653 CG TYR A 46 3.529 -5.259 -6.380 1.00 0.00 C ATOM 654 CD1 TYR A 46 2.860 -4.231 -7.032 1.00 0.00 C ATOM 655 CD2 TYR A 46 3.119 -6.565 -6.621 1.00 0.00 C ATOM 656 CE1 TYR A 46 1.816 -4.495 -7.898 1.00 0.00 C ATOM 657 CE2 TYR A 46 2.076 -6.837 -7.487 1.00 0.00 C ATOM 658 CZ TYR A 46 1.429 -5.799 -8.122 1.00 0.00 C ATOM 659 OH TYR A 46 0.390 -6.066 -8.983 1.00 0.00 O ATOM 0 H TYR A 46 3.313 -3.023 -4.744 1.00 0.00 H new ATOM 0 HA TYR A 46 3.653 -5.621 -3.657 1.00 0.00 H new ATOM 0 HB2 TYR A 46 5.200 -4.080 -5.776 1.00 0.00 H new ATOM 0 HB3 TYR A 46 5.379 -5.795 -5.465 1.00 0.00 H new ATOM 0 HD1 TYR A 46 3.161 -3.208 -6.859 1.00 0.00 H new ATOM 0 HD2 TYR A 46 3.623 -7.380 -6.124 1.00 0.00 H new ATOM 0 HE1 TYR A 46 1.306 -3.684 -8.397 1.00 0.00 H new ATOM 0 HE2 TYR A 46 1.770 -7.857 -7.665 1.00 0.00 H new ATOM 0 HH TYR A 46 0.245 -7.034 -9.030 1.00 0.00 H new ATOM 669 N PRO A 47 5.801 -5.686 -2.370 1.00 0.00 N ATOM 670 CA PRO A 47 6.924 -5.683 -1.432 1.00 0.00 C ATOM 671 C PRO A 47 8.269 -5.846 -2.132 1.00 0.00 C ATOM 672 O PRO A 47 8.338 -5.918 -3.359 1.00 0.00 O ATOM 673 CB PRO A 47 6.630 -6.893 -0.550 1.00 0.00 C ATOM 674 CG PRO A 47 5.908 -7.841 -1.445 1.00 0.00 C ATOM 675 CD PRO A 47 5.129 -6.997 -2.422 1.00 0.00 C ATOM 0 HA PRO A 47 7.006 -4.742 -0.887 1.00 0.00 H new ATOM 0 HB2 PRO A 47 7.548 -7.334 -0.163 1.00 0.00 H new ATOM 0 HB3 PRO A 47 6.021 -6.618 0.311 1.00 0.00 H new ATOM 0 HG2 PRO A 47 6.609 -8.492 -1.967 1.00 0.00 H new ATOM 0 HG3 PRO A 47 5.242 -8.485 -0.871 1.00 0.00 H new ATOM 0 HD2 PRO A 47 5.156 -7.420 -3.426 1.00 0.00 H new ATOM 0 HD3 PRO A 47 4.080 -6.920 -2.136 1.00 0.00 H new ATOM 683 N ASN A 48 9.335 -5.914 -1.341 1.00 0.00 N ATOM 684 CA ASN A 48 10.678 -6.096 -1.880 1.00 0.00 C ATOM 685 C ASN A 48 11.391 -7.248 -1.179 1.00 0.00 C ATOM 686 O ASN A 48 12.205 -7.032 -0.281 1.00 0.00 O ATOM 687 CB ASN A 48 11.491 -4.810 -1.728 1.00 0.00 C ATOM 688 CG ASN A 48 10.864 -3.637 -2.457 1.00 0.00 C ATOM 689 OD1 ASN A 48 10.012 -2.894 -1.761 1.00 0.00 O flip ATOM 690 ND2 ASN A 48 11.144 -3.400 -3.633 1.00 0.00 N flip ATOM 0 H ASN A 48 9.295 -5.846 -0.324 1.00 0.00 H new ATOM 0 HA ASN A 48 10.589 -6.336 -2.939 1.00 0.00 H new ATOM 0 HB2 ASN A 48 11.586 -4.567 -0.670 1.00 0.00 H new ATOM 0 HB3 ASN A 48 12.499 -4.974 -2.109 1.00 0.00 H new ATOM 0 HD21 ASN A 48 11.804 -3.997 -4.130 1.00 0.00 H new ATOM 0 HD22 ASN A 48 10.715 -2.606 -4.109 1.00 0.00 H new ATOM 697 N THR A 49 11.075 -8.471 -1.591 1.00 0.00 N ATOM 698 CA THR A 49 11.673 -9.658 -0.991 1.00 0.00 C ATOM 699 C THR A 49 12.952 -10.057 -1.719 1.00 0.00 C ATOM 700 O THR A 49 13.014 -10.026 -2.948 1.00 0.00 O ATOM 701 CB THR A 49 10.696 -10.848 -1.004 1.00 0.00 C ATOM 702 OG1 THR A 49 9.515 -10.521 -0.260 1.00 0.00 O ATOM 703 CG2 THR A 49 11.346 -12.089 -0.411 1.00 0.00 C ATOM 0 H THR A 49 10.408 -8.666 -2.338 1.00 0.00 H new ATOM 0 HA THR A 49 11.910 -9.404 0.042 1.00 0.00 H new ATOM 0 HB THR A 49 10.427 -11.057 -2.039 1.00 0.00 H new ATOM 0 HG1 THR A 49 8.898 -11.282 -0.274 1.00 0.00 H new ATOM 0 HG21 THR A 49 10.636 -12.916 -0.431 1.00 0.00 H new ATOM 0 HG22 THR A 49 12.227 -12.353 -0.996 1.00 0.00 H new ATOM 0 HG23 THR A 49 11.641 -11.889 0.619 1.00 0.00 H new ATOM 711 N ILE A 50 13.971 -10.432 -0.952 1.00 0.00 N ATOM 712 CA ILE A 50 15.250 -10.835 -1.524 1.00 0.00 C ATOM 713 C ILE A 50 15.750 -12.129 -0.890 1.00 0.00 C ATOM 714 O ILE A 50 15.632 -12.325 0.319 1.00 0.00 O ATOM 715 CB ILE A 50 16.317 -9.740 -1.339 1.00 0.00 C ATOM 716 CG1 ILE A 50 15.846 -8.429 -1.970 1.00 0.00 C ATOM 717 CG2 ILE A 50 17.641 -10.181 -1.945 1.00 0.00 C ATOM 718 CD1 ILE A 50 16.835 -7.294 -1.816 1.00 0.00 C ATOM 0 H ILE A 50 13.935 -10.465 0.067 1.00 0.00 H new ATOM 0 HA ILE A 50 15.085 -10.995 -2.590 1.00 0.00 H new ATOM 0 HB ILE A 50 16.467 -9.575 -0.272 1.00 0.00 H new ATOM 0 HG12 ILE A 50 15.656 -8.593 -3.031 1.00 0.00 H new ATOM 0 HG13 ILE A 50 14.898 -8.138 -1.518 1.00 0.00 H new ATOM 0 HG21 ILE A 50 18.384 -9.396 -1.806 1.00 0.00 H new ATOM 0 HG22 ILE A 50 17.980 -11.093 -1.454 1.00 0.00 H new ATOM 0 HG23 ILE A 50 17.508 -10.370 -3.010 1.00 0.00 H new ATOM 0 HD11 ILE A 50 16.435 -6.396 -2.287 1.00 0.00 H new ATOM 0 HD12 ILE A 50 17.007 -7.102 -0.757 1.00 0.00 H new ATOM 0 HD13 ILE A 50 17.777 -7.565 -2.293 1.00 0.00 H new ATOM 730 N ASP A 51 16.307 -13.010 -1.715 1.00 0.00 N ATOM 731 CA ASP A 51 16.818 -14.288 -1.233 1.00 0.00 C ATOM 732 C ASP A 51 17.778 -14.906 -2.244 1.00 0.00 C ATOM 733 O ASP A 51 18.182 -14.257 -3.209 1.00 0.00 O ATOM 734 CB ASP A 51 15.662 -15.251 -0.956 1.00 0.00 C ATOM 735 CG ASP A 51 14.837 -15.536 -2.195 1.00 0.00 C ATOM 736 OD1 ASP A 51 14.751 -14.648 -3.069 1.00 0.00 O ATOM 737 OD2 ASP A 51 14.278 -16.649 -2.293 1.00 0.00 O ATOM 0 H ASP A 51 16.416 -12.863 -2.718 1.00 0.00 H new ATOM 0 HA ASP A 51 17.362 -14.107 -0.306 1.00 0.00 H new ATOM 0 HB2 ASP A 51 16.059 -16.187 -0.564 1.00 0.00 H new ATOM 0 HB3 ASP A 51 15.019 -14.829 -0.184 1.00 0.00 H new ATOM 742 N VAL A 52 18.139 -16.165 -2.016 1.00 0.00 N ATOM 743 CA VAL A 52 19.049 -16.873 -2.907 1.00 0.00 C ATOM 744 C VAL A 52 18.616 -18.323 -3.095 1.00 0.00 C ATOM 745 O VAL A 52 18.491 -19.074 -2.128 1.00 0.00 O ATOM 746 CB VAL A 52 20.493 -16.847 -2.372 1.00 0.00 C ATOM 747 CG1 VAL A 52 20.980 -15.415 -2.214 1.00 0.00 C ATOM 748 CG2 VAL A 52 20.588 -17.599 -1.053 1.00 0.00 C ATOM 0 H VAL A 52 17.814 -16.715 -1.221 1.00 0.00 H new ATOM 0 HA VAL A 52 19.016 -16.358 -3.867 1.00 0.00 H new ATOM 0 HB VAL A 52 21.137 -17.347 -3.096 1.00 0.00 H new ATOM 0 HG11 VAL A 52 22.002 -15.418 -1.835 1.00 0.00 H new ATOM 0 HG12 VAL A 52 20.953 -14.913 -3.181 1.00 0.00 H new ATOM 0 HG13 VAL A 52 20.334 -14.886 -1.513 1.00 0.00 H new ATOM 0 HG21 VAL A 52 21.616 -17.570 -0.691 1.00 0.00 H new ATOM 0 HG22 VAL A 52 19.931 -17.131 -0.319 1.00 0.00 H new ATOM 0 HG23 VAL A 52 20.285 -18.635 -1.202 1.00 0.00 H new ATOM 758 N PRO A 53 18.381 -18.731 -4.351 1.00 0.00 N ATOM 759 CA PRO A 53 17.956 -20.097 -4.673 1.00 0.00 C ATOM 760 C PRO A 53 19.076 -21.113 -4.478 1.00 0.00 C ATOM 761 O PRO A 53 20.035 -21.151 -5.249 1.00 0.00 O ATOM 762 CB PRO A 53 17.569 -20.006 -6.150 1.00 0.00 C ATOM 763 CG PRO A 53 18.377 -18.875 -6.684 1.00 0.00 C ATOM 764 CD PRO A 53 18.510 -17.890 -5.554 1.00 0.00 C ATOM 0 HA PRO A 53 17.148 -20.437 -4.025 1.00 0.00 H new ATOM 0 HB2 PRO A 53 17.792 -20.935 -6.676 1.00 0.00 H new ATOM 0 HB3 PRO A 53 16.501 -19.821 -6.269 1.00 0.00 H new ATOM 0 HG2 PRO A 53 19.356 -19.219 -7.019 1.00 0.00 H new ATOM 0 HG3 PRO A 53 17.888 -18.418 -7.544 1.00 0.00 H new ATOM 0 HD2 PRO A 53 19.469 -17.373 -5.582 1.00 0.00 H new ATOM 0 HD3 PRO A 53 17.735 -17.125 -5.594 1.00 0.00 H new ATOM 772 N PRO A 54 18.962 -21.953 -3.438 1.00 0.00 N ATOM 773 CA PRO A 54 19.961 -22.983 -3.138 1.00 0.00 C ATOM 774 C PRO A 54 19.931 -24.127 -4.145 1.00 0.00 C ATOM 775 O PRO A 54 20.974 -24.570 -4.628 1.00 0.00 O ATOM 776 CB PRO A 54 19.548 -23.480 -1.752 1.00 0.00 C ATOM 777 CG PRO A 54 18.084 -23.217 -1.677 1.00 0.00 C ATOM 778 CD PRO A 54 17.847 -21.963 -2.474 1.00 0.00 C ATOM 0 HA PRO A 54 20.978 -22.593 -3.181 1.00 0.00 H new ATOM 0 HB2 PRO A 54 19.767 -24.541 -1.630 1.00 0.00 H new ATOM 0 HB3 PRO A 54 20.086 -22.951 -0.965 1.00 0.00 H new ATOM 0 HG2 PRO A 54 17.516 -24.053 -2.086 1.00 0.00 H new ATOM 0 HG3 PRO A 54 17.763 -23.089 -0.643 1.00 0.00 H new ATOM 0 HD2 PRO A 54 16.881 -21.984 -2.978 1.00 0.00 H new ATOM 0 HD3 PRO A 54 17.856 -21.076 -1.840 1.00 0.00 H new ATOM 786 N GLU A 55 18.730 -24.602 -4.458 1.00 0.00 N ATOM 787 CA GLU A 55 18.563 -25.695 -5.409 1.00 0.00 C ATOM 788 C GLU A 55 17.315 -25.488 -6.261 1.00 0.00 C ATOM 789 O GLU A 55 16.623 -24.478 -6.131 1.00 0.00 O ATOM 790 CB GLU A 55 18.475 -27.032 -4.670 1.00 0.00 C ATOM 791 CG GLU A 55 18.302 -28.227 -5.594 1.00 0.00 C ATOM 792 CD GLU A 55 19.446 -28.371 -6.579 1.00 0.00 C ATOM 793 OE1 GLU A 55 20.038 -27.339 -6.956 1.00 0.00 O ATOM 794 OE2 GLU A 55 19.748 -29.517 -6.973 1.00 0.00 O ATOM 0 H GLU A 55 17.858 -24.247 -4.067 1.00 0.00 H new ATOM 0 HA GLU A 55 19.432 -25.708 -6.067 1.00 0.00 H new ATOM 0 HB2 GLU A 55 19.379 -27.170 -4.076 1.00 0.00 H new ATOM 0 HB3 GLU A 55 17.638 -26.998 -3.973 1.00 0.00 H new ATOM 0 HG2 GLU A 55 18.225 -29.136 -4.997 1.00 0.00 H new ATOM 0 HG3 GLU A 55 17.365 -28.125 -6.142 1.00 0.00 H new ATOM 801 N GLU A 56 17.033 -26.451 -7.133 1.00 0.00 N ATOM 802 CA GLU A 56 15.867 -26.374 -8.005 1.00 0.00 C ATOM 803 C GLU A 56 14.579 -26.559 -7.209 1.00 0.00 C ATOM 804 O GLU A 56 13.604 -27.120 -7.709 1.00 0.00 O ATOM 805 CB GLU A 56 15.956 -27.432 -9.106 1.00 0.00 C ATOM 806 CG GLU A 56 17.184 -27.288 -9.990 1.00 0.00 C ATOM 807 CD GLU A 56 17.232 -25.954 -10.709 1.00 0.00 C ATOM 808 OE1 GLU A 56 16.712 -24.963 -10.156 1.00 0.00 O ATOM 809 OE2 GLU A 56 17.790 -25.901 -11.826 1.00 0.00 O ATOM 0 H GLU A 56 17.596 -27.293 -7.254 1.00 0.00 H new ATOM 0 HA GLU A 56 15.852 -25.385 -8.462 1.00 0.00 H new ATOM 0 HB2 GLU A 56 15.962 -28.421 -8.648 1.00 0.00 H new ATOM 0 HB3 GLU A 56 15.062 -27.374 -9.727 1.00 0.00 H new ATOM 0 HG2 GLU A 56 18.081 -27.401 -9.381 1.00 0.00 H new ATOM 0 HG3 GLU A 56 17.195 -28.093 -10.725 1.00 0.00 H new ATOM 816 N GLU A 57 14.582 -26.084 -5.968 1.00 0.00 N ATOM 817 CA GLU A 57 13.412 -26.194 -5.104 1.00 0.00 C ATOM 818 C GLU A 57 13.503 -25.218 -3.935 1.00 0.00 C ATOM 819 O GLU A 57 14.564 -25.053 -3.333 1.00 0.00 O ATOM 820 CB GLU A 57 13.273 -27.624 -4.579 1.00 0.00 C ATOM 821 CG GLU A 57 13.109 -28.663 -5.677 1.00 0.00 C ATOM 822 CD GLU A 57 12.971 -30.071 -5.132 1.00 0.00 C ATOM 823 OE1 GLU A 57 13.537 -30.348 -4.054 1.00 0.00 O ATOM 824 OE2 GLU A 57 12.297 -30.896 -5.784 1.00 0.00 O ATOM 0 H GLU A 57 15.382 -25.619 -5.538 1.00 0.00 H new ATOM 0 HA GLU A 57 12.531 -25.943 -5.695 1.00 0.00 H new ATOM 0 HB2 GLU A 57 14.153 -27.871 -3.985 1.00 0.00 H new ATOM 0 HB3 GLU A 57 12.413 -27.675 -3.911 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.229 -28.420 -6.273 1.00 0.00 H new ATOM 0 HG3 GLU A 57 13.969 -28.619 -6.345 1.00 0.00 H new ATOM 831 N CYS A 58 12.384 -24.575 -3.618 1.00 0.00 N ATOM 832 CA CYS A 58 12.337 -23.617 -2.520 1.00 0.00 C ATOM 833 C CYS A 58 11.760 -24.261 -1.263 1.00 0.00 C ATOM 834 O CYS A 58 12.416 -25.076 -0.614 1.00 0.00 O ATOM 835 CB CYS A 58 11.498 -22.400 -2.913 1.00 0.00 C ATOM 836 SG CYS A 58 9.752 -22.785 -3.262 1.00 0.00 S ATOM 0 H CYS A 58 11.497 -24.700 -4.106 1.00 0.00 H new ATOM 0 HA CYS A 58 13.356 -23.294 -2.308 1.00 0.00 H new ATOM 0 HB2 CYS A 58 11.544 -21.665 -2.109 1.00 0.00 H new ATOM 0 HB3 CYS A 58 11.940 -21.936 -3.795 1.00 0.00 H new ATOM 841 N GLU A 59 10.527 -23.893 -0.929 1.00 0.00 N ATOM 842 CA GLU A 59 9.854 -24.445 0.241 1.00 0.00 C ATOM 843 C GLU A 59 8.373 -24.676 -0.043 1.00 0.00 C ATOM 844 O GLU A 59 7.992 -25.017 -1.163 1.00 0.00 O ATOM 845 CB GLU A 59 10.015 -23.508 1.439 1.00 0.00 C ATOM 846 CG GLU A 59 11.462 -23.272 1.837 1.00 0.00 C ATOM 847 CD GLU A 59 11.595 -22.341 3.027 1.00 0.00 C ATOM 848 OE1 GLU A 59 11.601 -22.839 4.172 1.00 0.00 O ATOM 849 OE2 GLU A 59 11.694 -21.115 2.813 1.00 0.00 O ATOM 0 H GLU A 59 9.974 -23.215 -1.452 1.00 0.00 H new ATOM 0 HA GLU A 59 10.315 -25.404 0.475 1.00 0.00 H new ATOM 0 HB2 GLU A 59 9.550 -22.550 1.205 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.476 -23.924 2.290 1.00 0.00 H new ATOM 0 HG2 GLU A 59 11.930 -24.227 2.074 1.00 0.00 H new ATOM 0 HG3 GLU A 59 12.004 -22.852 0.990 1.00 0.00 H new ATOM 856 N PHE A 60 7.543 -24.487 0.977 1.00 0.00 N ATOM 857 CA PHE A 60 6.104 -24.671 0.835 1.00 0.00 C ATOM 858 C PHE A 60 5.356 -24.033 2.001 1.00 0.00 C ATOM 859 O PHE A 60 5.134 -24.730 3.014 1.00 0.00 O ATOM 860 CB PHE A 60 5.764 -26.160 0.750 1.00 0.00 C ATOM 861 CG PHE A 60 6.399 -26.854 -0.421 1.00 0.00 C ATOM 862 CD1 PHE A 60 7.663 -27.411 -0.312 1.00 0.00 C ATOM 863 CD2 PHE A 60 5.731 -26.950 -1.632 1.00 0.00 C ATOM 864 CE1 PHE A 60 8.250 -28.050 -1.387 1.00 0.00 C ATOM 865 CE2 PHE A 60 6.313 -27.588 -2.711 1.00 0.00 C ATOM 866 CZ PHE A 60 7.573 -28.139 -2.589 1.00 0.00 C ATOM 867 OXT PHE A 60 4.999 -22.841 1.892 1.00 0.00 O ATOM 0 H PHE A 60 7.842 -24.207 1.911 1.00 0.00 H new ATOM 0 HA PHE A 60 5.790 -24.181 -0.087 1.00 0.00 H new ATOM 0 HB2 PHE A 60 6.083 -26.650 1.670 1.00 0.00 H new ATOM 0 HB3 PHE A 60 4.682 -26.274 0.687 1.00 0.00 H new ATOM 0 HD1 PHE A 60 8.196 -27.345 0.625 1.00 0.00 H new ATOM 0 HD2 PHE A 60 4.745 -26.521 -1.733 1.00 0.00 H new ATOM 0 HE1 PHE A 60 9.236 -28.479 -1.289 1.00 0.00 H new ATOM 0 HE2 PHE A 60 5.782 -27.656 -3.649 1.00 0.00 H new ATOM 0 HZ PHE A 60 8.029 -28.639 -3.431 1.00 0.00 H new TER 877 PHE A 60 ATOM 878 N GLU B 1 15.458 -0.320 -8.432 1.00 0.00 N ATOM 879 CA GLU B 1 16.395 -0.066 -9.557 1.00 0.00 C ATOM 880 C GLU B 1 17.825 -0.419 -9.164 1.00 0.00 C ATOM 881 O GLU B 1 18.727 0.415 -9.251 1.00 0.00 O ATOM 882 CB GLU B 1 16.322 1.402 -9.983 1.00 0.00 C ATOM 883 CG GLU B 1 16.698 2.374 -8.877 1.00 0.00 C ATOM 884 CD GLU B 1 16.622 3.821 -9.323 1.00 0.00 C ATOM 885 OE1 GLU B 1 15.792 4.128 -10.204 1.00 0.00 O ATOM 886 OE2 GLU B 1 17.393 4.648 -8.791 1.00 0.00 O ATOM 0 H1 GLU B 1 14.531 0.097 -8.652 1.00 0.00 H new ATOM 0 H2 GLU B 1 15.353 -1.345 -8.293 1.00 0.00 H new ATOM 0 H3 GLU B 1 15.834 0.110 -7.563 1.00 0.00 H new ATOM 0 HA GLU B 1 16.100 -0.699 -10.394 1.00 0.00 H new ATOM 0 HB2 GLU B 1 16.985 1.558 -10.834 1.00 0.00 H new ATOM 0 HB3 GLU B 1 15.310 1.624 -10.322 1.00 0.00 H new ATOM 0 HG2 GLU B 1 16.034 2.225 -8.026 1.00 0.00 H new ATOM 0 HG3 GLU B 1 17.710 2.156 -8.535 1.00 0.00 H new ATOM 895 N ALA B 2 18.026 -1.659 -8.733 1.00 0.00 N ATOM 896 CA ALA B 2 19.348 -2.123 -8.329 1.00 0.00 C ATOM 897 C ALA B 2 20.265 -2.282 -9.536 1.00 0.00 C ATOM 898 O ALA B 2 21.393 -2.759 -9.414 1.00 0.00 O ATOM 899 CB ALA B 2 19.236 -3.437 -7.571 1.00 0.00 C ATOM 0 H ALA B 2 17.290 -2.361 -8.654 1.00 0.00 H new ATOM 0 HA ALA B 2 19.785 -1.373 -7.670 1.00 0.00 H new ATOM 0 HB1 ALA B 2 20.230 -3.772 -7.275 1.00 0.00 H new ATOM 0 HB2 ALA B 2 18.622 -3.293 -6.682 1.00 0.00 H new ATOM 0 HB3 ALA B 2 18.775 -4.189 -8.212 1.00 0.00 H new ATOM 905 N GLN B 3 19.772 -1.878 -10.702 1.00 0.00 N ATOM 906 CA GLN B 3 20.546 -1.972 -11.934 1.00 0.00 C ATOM 907 C GLN B 3 21.329 -0.686 -12.178 1.00 0.00 C ATOM 908 O GLN B 3 20.743 0.377 -12.382 1.00 0.00 O ATOM 909 CB GLN B 3 19.620 -2.250 -13.120 1.00 0.00 C ATOM 910 CG GLN B 3 18.756 -3.488 -12.943 1.00 0.00 C ATOM 911 CD GLN B 3 19.573 -4.749 -12.741 1.00 0.00 C ATOM 912 OE1 GLN B 3 19.855 -5.076 -11.485 1.00 0.00 O flip ATOM 913 NE2 GLN B 3 19.944 -5.423 -13.702 1.00 0.00 N flip ATOM 0 H GLN B 3 18.839 -1.482 -10.819 1.00 0.00 H new ATOM 0 HA GLN B 3 21.253 -2.796 -11.832 1.00 0.00 H new ATOM 0 HB2 GLN B 3 18.974 -1.386 -13.276 1.00 0.00 H new ATOM 0 HB3 GLN B 3 20.222 -2.364 -14.021 1.00 0.00 H new ATOM 0 HG2 GLN B 3 18.097 -3.346 -12.087 1.00 0.00 H new ATOM 0 HG3 GLN B 3 18.119 -3.609 -13.819 1.00 0.00 H new ATOM 0 HE21 GLN B 3 19.704 -5.134 -14.650 1.00 0.00 H new ATOM 0 HE22 GLN B 3 20.491 -6.270 -13.550 1.00 0.00 H new ATOM 922 N THR B 4 22.655 -0.785 -12.147 1.00 0.00 N ATOM 923 CA THR B 4 23.506 0.383 -12.342 1.00 0.00 C ATOM 924 C THR B 4 24.920 -0.019 -12.749 1.00 0.00 C ATOM 925 O THR B 4 25.534 -0.885 -12.126 1.00 0.00 O ATOM 926 CB THR B 4 23.578 1.243 -11.067 1.00 0.00 C ATOM 927 OG1 THR B 4 24.112 0.473 -9.984 1.00 0.00 O ATOM 928 CG2 THR B 4 22.201 1.768 -10.691 1.00 0.00 C ATOM 0 H THR B 4 23.160 -1.657 -11.990 1.00 0.00 H new ATOM 0 HA THR B 4 23.055 0.967 -13.144 1.00 0.00 H new ATOM 0 HB THR B 4 24.233 2.092 -11.265 1.00 0.00 H new ATOM 0 HG1 THR B 4 24.655 -0.261 -10.341 1.00 0.00 H new ATOM 0 HG21 THR B 4 22.276 2.373 -9.787 1.00 0.00 H new ATOM 0 HG22 THR B 4 21.810 2.379 -11.505 1.00 0.00 H new ATOM 0 HG23 THR B 4 21.528 0.929 -10.511 1.00 0.00 H new ATOM 936 N GLU B 5 25.434 0.628 -13.789 1.00 0.00 N ATOM 937 CA GLU B 5 26.790 0.370 -14.258 1.00 0.00 C ATOM 938 C GLU B 5 27.699 1.559 -13.964 1.00 0.00 C ATOM 939 O GLU B 5 27.259 2.708 -13.985 1.00 0.00 O ATOM 940 CB GLU B 5 26.786 0.075 -15.760 1.00 0.00 C ATOM 941 CG GLU B 5 25.938 -1.127 -16.141 1.00 0.00 C ATOM 942 CD GLU B 5 24.479 -0.953 -15.768 1.00 0.00 C ATOM 943 OE1 GLU B 5 23.711 -0.430 -16.604 1.00 0.00 O ATOM 944 OE2 GLU B 5 24.104 -1.339 -14.641 1.00 0.00 O ATOM 0 H GLU B 5 24.931 1.336 -14.324 1.00 0.00 H new ATOM 0 HA GLU B 5 27.174 -0.500 -13.726 1.00 0.00 H new ATOM 0 HB2 GLU B 5 26.419 0.952 -16.293 1.00 0.00 H new ATOM 0 HB3 GLU B 5 27.811 -0.094 -16.091 1.00 0.00 H new ATOM 0 HG2 GLU B 5 26.017 -1.297 -17.215 1.00 0.00 H new ATOM 0 HG3 GLU B 5 26.332 -2.016 -15.648 1.00 0.00 H new ATOM 951 N THR B 6 28.968 1.276 -13.687 1.00 0.00 N ATOM 952 CA THR B 6 29.933 2.325 -13.380 1.00 0.00 C ATOM 953 C THR B 6 31.311 1.989 -13.940 1.00 0.00 C ATOM 954 O THR B 6 31.588 0.841 -14.287 1.00 0.00 O ATOM 955 CB THR B 6 30.052 2.553 -11.862 1.00 0.00 C ATOM 956 OG1 THR B 6 28.782 2.942 -11.323 1.00 0.00 O ATOM 957 CG2 THR B 6 31.087 3.625 -11.555 1.00 0.00 C ATOM 0 H THR B 6 29.351 0.331 -13.669 1.00 0.00 H new ATOM 0 HA THR B 6 29.565 3.237 -13.850 1.00 0.00 H new ATOM 0 HB THR B 6 30.371 1.618 -11.401 1.00 0.00 H new ATOM 0 HG1 THR B 6 28.866 3.083 -10.357 1.00 0.00 H new ATOM 0 HG21 THR B 6 31.153 3.769 -10.477 1.00 0.00 H new ATOM 0 HG22 THR B 6 32.058 3.314 -11.940 1.00 0.00 H new ATOM 0 HG23 THR B 6 30.792 4.562 -12.028 1.00 0.00 H new ATOM 965 N CYS B 7 32.173 2.999 -14.023 1.00 0.00 N ATOM 966 CA CYS B 7 33.525 2.810 -14.535 1.00 0.00 C ATOM 967 C CYS B 7 34.563 3.212 -13.492 1.00 0.00 C ATOM 968 O CYS B 7 35.645 3.692 -13.831 1.00 0.00 O ATOM 969 CB CYS B 7 33.729 3.627 -15.812 1.00 0.00 C ATOM 970 SG CYS B 7 32.624 3.156 -17.182 1.00 0.00 S ATOM 0 H CYS B 7 31.958 3.956 -13.742 1.00 0.00 H new ATOM 0 HA CYS B 7 33.654 1.752 -14.763 1.00 0.00 H new ATOM 0 HB2 CYS B 7 33.577 4.682 -15.584 1.00 0.00 H new ATOM 0 HB3 CYS B 7 34.763 3.517 -16.139 1.00 0.00 H new ATOM 975 N THR B 8 34.227 3.013 -12.222 1.00 0.00 N ATOM 976 CA THR B 8 35.132 3.352 -11.130 1.00 0.00 C ATOM 977 C THR B 8 35.890 2.122 -10.644 1.00 0.00 C ATOM 978 O THR B 8 35.616 1.598 -9.564 1.00 0.00 O ATOM 979 CB THR B 8 34.372 3.975 -9.944 1.00 0.00 C ATOM 980 OG1 THR B 8 35.287 4.299 -8.891 1.00 0.00 O ATOM 981 CG2 THR B 8 33.308 3.020 -9.422 1.00 0.00 C ATOM 0 H THR B 8 33.335 2.619 -11.924 1.00 0.00 H new ATOM 0 HA THR B 8 35.841 4.082 -11.521 1.00 0.00 H new ATOM 0 HB THR B 8 33.883 4.885 -10.292 1.00 0.00 H new ATOM 0 HG1 THR B 8 34.796 4.696 -8.142 1.00 0.00 H new ATOM 0 HG21 THR B 8 32.784 3.481 -8.585 1.00 0.00 H new ATOM 0 HG22 THR B 8 32.596 2.798 -10.217 1.00 0.00 H new ATOM 0 HG23 THR B 8 33.780 2.096 -9.090 1.00 0.00 H new ATOM 989 N VAL B 9 36.842 1.663 -11.450 1.00 0.00 N ATOM 990 CA VAL B 9 37.631 0.487 -11.107 1.00 0.00 C ATOM 991 C VAL B 9 39.113 0.828 -11.005 1.00 0.00 C ATOM 992 O VAL B 9 39.512 1.976 -11.196 1.00 0.00 O ATOM 993 CB VAL B 9 37.448 -0.635 -12.146 1.00 0.00 C ATOM 994 CG1 VAL B 9 38.291 -1.847 -11.781 1.00 0.00 C ATOM 995 CG2 VAL B 9 35.981 -1.016 -12.266 1.00 0.00 C ATOM 0 H VAL B 9 37.085 2.088 -12.345 1.00 0.00 H new ATOM 0 HA VAL B 9 37.272 0.140 -10.138 1.00 0.00 H new ATOM 0 HB VAL B 9 37.786 -0.265 -13.114 1.00 0.00 H new ATOM 0 HG11 VAL B 9 38.147 -2.628 -12.527 1.00 0.00 H new ATOM 0 HG12 VAL B 9 39.343 -1.563 -11.751 1.00 0.00 H new ATOM 0 HG13 VAL B 9 37.988 -2.220 -10.803 1.00 0.00 H new ATOM 0 HG21 VAL B 9 35.871 -1.810 -13.005 1.00 0.00 H new ATOM 0 HG22 VAL B 9 35.616 -1.365 -11.300 1.00 0.00 H new ATOM 0 HG23 VAL B 9 35.404 -0.146 -12.579 1.00 0.00 H new ATOM 1005 N ALA B 10 39.926 -0.180 -10.705 1.00 0.00 N ATOM 1006 CA ALA B 10 41.366 0.007 -10.588 1.00 0.00 C ATOM 1007 C ALA B 10 42.072 -0.356 -11.890 1.00 0.00 C ATOM 1008 O ALA B 10 41.522 -1.071 -12.727 1.00 0.00 O ATOM 1009 CB ALA B 10 41.915 -0.823 -9.437 1.00 0.00 C ATOM 0 H ALA B 10 39.611 -1.136 -10.538 1.00 0.00 H new ATOM 0 HA ALA B 10 41.556 1.060 -10.383 1.00 0.00 H new ATOM 0 HB1 ALA B 10 42.992 -0.673 -9.362 1.00 0.00 H new ATOM 0 HB2 ALA B 10 41.440 -0.514 -8.506 1.00 0.00 H new ATOM 0 HB3 ALA B 10 41.707 -1.878 -9.617 1.00 0.00 H new ATOM 1015 N PRO B 11 43.303 0.143 -12.076 1.00 0.00 N ATOM 1016 CA PRO B 11 44.087 -0.111 -13.289 1.00 0.00 C ATOM 1017 C PRO B 11 44.149 -1.593 -13.643 1.00 0.00 C ATOM 1018 O PRO B 11 44.091 -1.964 -14.816 1.00 0.00 O ATOM 1019 CB PRO B 11 45.477 0.410 -12.924 1.00 0.00 C ATOM 1020 CG PRO B 11 45.229 1.457 -11.894 1.00 0.00 C ATOM 1021 CD PRO B 11 44.024 0.999 -11.117 1.00 0.00 C ATOM 0 HA PRO B 11 43.651 0.370 -14.165 1.00 0.00 H new ATOM 0 HB2 PRO B 11 46.109 -0.388 -12.534 1.00 0.00 H new ATOM 0 HB3 PRO B 11 45.986 0.823 -13.795 1.00 0.00 H new ATOM 0 HG2 PRO B 11 46.093 1.573 -11.240 1.00 0.00 H new ATOM 0 HG3 PRO B 11 45.048 2.426 -12.359 1.00 0.00 H new ATOM 0 HD2 PRO B 11 44.310 0.447 -10.222 1.00 0.00 H new ATOM 0 HD3 PRO B 11 43.413 1.840 -10.791 1.00 0.00 H new ATOM 1029 N ARG B 12 44.276 -2.435 -12.624 1.00 0.00 N ATOM 1030 CA ARG B 12 44.373 -3.876 -12.829 1.00 0.00 C ATOM 1031 C ARG B 12 42.992 -4.524 -12.819 1.00 0.00 C ATOM 1032 O ARG B 12 42.771 -5.547 -13.469 1.00 0.00 O ATOM 1033 CB ARG B 12 45.253 -4.507 -11.748 1.00 0.00 C ATOM 1034 CG ARG B 12 44.728 -4.295 -10.337 1.00 0.00 C ATOM 1035 CD ARG B 12 45.632 -4.947 -9.303 1.00 0.00 C ATOM 1036 NE ARG B 12 45.134 -4.756 -7.944 1.00 0.00 N ATOM 1037 CZ ARG B 12 45.747 -5.226 -6.863 1.00 0.00 C ATOM 1038 NH1 ARG B 12 46.876 -5.910 -6.984 1.00 0.00 N ATOM 1039 NH2 ARG B 12 45.232 -5.013 -5.660 1.00 0.00 N ATOM 0 H ARG B 12 44.314 -2.145 -11.647 1.00 0.00 H new ATOM 0 HA ARG B 12 44.827 -4.048 -13.805 1.00 0.00 H new ATOM 0 HB2 ARG B 12 45.338 -5.577 -11.939 1.00 0.00 H new ATOM 0 HB3 ARG B 12 46.258 -4.090 -11.820 1.00 0.00 H new ATOM 0 HG2 ARG B 12 44.651 -3.227 -10.133 1.00 0.00 H new ATOM 0 HG3 ARG B 12 43.723 -4.708 -10.256 1.00 0.00 H new ATOM 0 HD2 ARG B 12 45.713 -6.014 -9.513 1.00 0.00 H new ATOM 0 HD3 ARG B 12 46.636 -4.529 -9.384 1.00 0.00 H new ATOM 0 HE ARG B 12 44.268 -4.233 -7.817 1.00 0.00 H new ATOM 0 HH11 ARG B 12 47.275 -6.076 -7.908 1.00 0.00 H new ATOM 0 HH12 ARG B 12 47.346 -6.270 -6.153 1.00 0.00 H new ATOM 0 HH21 ARG B 12 44.363 -4.487 -5.563 1.00 0.00 H new ATOM 0 HH22 ARG B 12 45.704 -5.375 -4.832 1.00 0.00 H new ATOM 1053 N GLU B 13 42.070 -3.930 -12.070 1.00 0.00 N ATOM 1054 CA GLU B 13 40.718 -4.467 -11.951 1.00 0.00 C ATOM 1055 C GLU B 13 39.891 -4.151 -13.193 1.00 0.00 C ATOM 1056 O GLU B 13 38.663 -4.226 -13.168 1.00 0.00 O ATOM 1057 CB GLU B 13 40.030 -3.900 -10.709 1.00 0.00 C ATOM 1058 CG GLU B 13 40.746 -4.235 -9.410 1.00 0.00 C ATOM 1059 CD GLU B 13 40.044 -3.665 -8.194 1.00 0.00 C ATOM 1060 OE1 GLU B 13 39.174 -4.362 -7.629 1.00 0.00 O ATOM 1061 OE2 GLU B 13 40.364 -2.522 -7.805 1.00 0.00 O ATOM 0 H GLU B 13 42.233 -3.077 -11.536 1.00 0.00 H new ATOM 0 HA GLU B 13 40.794 -5.550 -11.855 1.00 0.00 H new ATOM 0 HB2 GLU B 13 39.959 -2.817 -10.806 1.00 0.00 H new ATOM 0 HB3 GLU B 13 39.011 -4.283 -10.662 1.00 0.00 H new ATOM 0 HG2 GLU B 13 40.819 -5.318 -9.308 1.00 0.00 H new ATOM 0 HG3 GLU B 13 41.765 -3.849 -9.451 1.00 0.00 H new ATOM 1068 N ARG B 14 40.572 -3.796 -14.278 1.00 0.00 N ATOM 1069 CA ARG B 14 39.897 -3.466 -15.528 1.00 0.00 C ATOM 1070 C ARG B 14 39.905 -4.655 -16.483 1.00 0.00 C ATOM 1071 O ARG B 14 40.961 -5.082 -16.949 1.00 0.00 O ATOM 1072 CB ARG B 14 40.567 -2.260 -16.188 1.00 0.00 C ATOM 1073 CG ARG B 14 40.538 -1.007 -15.329 1.00 0.00 C ATOM 1074 CD ARG B 14 41.239 0.155 -16.013 1.00 0.00 C ATOM 1075 NE ARG B 14 41.218 1.364 -15.195 1.00 0.00 N ATOM 1076 CZ ARG B 14 41.873 2.477 -15.509 1.00 0.00 C ATOM 1077 NH1 ARG B 14 42.595 2.533 -16.620 1.00 0.00 N ATOM 1078 NH2 ARG B 14 41.806 3.535 -14.713 1.00 0.00 N ATOM 0 H ARG B 14 41.589 -3.730 -14.317 1.00 0.00 H new ATOM 0 HA ARG B 14 38.861 -3.217 -15.299 1.00 0.00 H new ATOM 0 HB2 ARG B 14 41.603 -2.510 -16.418 1.00 0.00 H new ATOM 0 HB3 ARG B 14 40.071 -2.053 -17.136 1.00 0.00 H new ATOM 0 HG2 ARG B 14 39.504 -0.735 -15.116 1.00 0.00 H new ATOM 0 HG3 ARG B 14 41.018 -1.210 -14.372 1.00 0.00 H new ATOM 0 HD2 ARG B 14 42.272 -0.120 -16.227 1.00 0.00 H new ATOM 0 HD3 ARG B 14 40.758 0.356 -16.970 1.00 0.00 H new ATOM 0 HE ARG B 14 40.670 1.354 -14.335 1.00 0.00 H new ATOM 0 HH11 ARG B 14 42.648 1.721 -17.235 1.00 0.00 H new ATOM 0 HH12 ARG B 14 43.097 3.388 -16.859 1.00 0.00 H new ATOM 0 HH21 ARG B 14 41.251 3.496 -13.858 1.00 0.00 H new ATOM 0 HH22 ARG B 14 42.309 4.388 -14.956 1.00 0.00 H new ATOM 1092 N GLN B 15 38.721 -5.187 -16.765 1.00 0.00 N ATOM 1093 CA GLN B 15 38.591 -6.335 -17.654 1.00 0.00 C ATOM 1094 C GLN B 15 38.649 -5.901 -19.115 1.00 0.00 C ATOM 1095 O GLN B 15 37.655 -5.441 -19.676 1.00 0.00 O ATOM 1096 CB GLN B 15 37.280 -7.073 -17.379 1.00 0.00 C ATOM 1097 CG GLN B 15 37.090 -8.314 -18.236 1.00 0.00 C ATOM 1098 CD GLN B 15 38.194 -9.333 -18.034 1.00 0.00 C ATOM 1099 OE1 GLN B 15 38.764 -9.358 -16.834 1.00 0.00 O flip ATOM 1100 NE2 GLN B 15 38.531 -10.089 -18.945 1.00 0.00 N flip ATOM 0 H GLN B 15 37.837 -4.841 -16.391 1.00 0.00 H new ATOM 0 HA GLN B 15 39.426 -7.009 -17.462 1.00 0.00 H new ATOM 0 HB2 GLN B 15 37.247 -7.359 -16.328 1.00 0.00 H new ATOM 0 HB3 GLN B 15 36.446 -6.392 -17.550 1.00 0.00 H new ATOM 0 HG2 GLN B 15 36.130 -8.772 -17.999 1.00 0.00 H new ATOM 0 HG3 GLN B 15 37.055 -8.025 -19.286 1.00 0.00 H new ATOM 0 HE21 GLN B 15 38.066 -10.035 -19.851 1.00 0.00 H new ATOM 0 HE22 GLN B 15 39.276 -10.770 -18.794 1.00 0.00 H new ATOM 1109 N ASN B 16 39.822 -6.046 -19.723 1.00 0.00 N ATOM 1110 CA ASN B 16 40.018 -5.655 -21.114 1.00 0.00 C ATOM 1111 C ASN B 16 38.745 -5.867 -21.929 1.00 0.00 C ATOM 1112 O ASN B 16 37.950 -6.760 -21.637 1.00 0.00 O ATOM 1113 CB ASN B 16 41.170 -6.449 -21.732 1.00 0.00 C ATOM 1114 CG ASN B 16 41.416 -6.077 -23.181 1.00 0.00 C ATOM 1115 OD1 ASN B 16 41.122 -4.830 -23.530 1.00 0.00 O flip ATOM 1116 ND2 ASN B 16 41.866 -6.901 -23.978 1.00 0.00 N flip ATOM 0 H ASN B 16 40.652 -6.432 -19.273 1.00 0.00 H new ATOM 0 HA ASN B 16 40.265 -4.593 -21.132 1.00 0.00 H new ATOM 0 HB2 ASN B 16 42.078 -6.274 -21.156 1.00 0.00 H new ATOM 0 HB3 ASN B 16 40.950 -7.515 -21.665 1.00 0.00 H new ATOM 0 HD21 ASN B 16 42.078 -7.849 -23.666 1.00 0.00 H new ATOM 0 HD22 ASN B 16 42.027 -6.636 -24.950 1.00 0.00 H new ATOM 1123 N CYS B 17 38.564 -5.041 -22.955 1.00 0.00 N ATOM 1124 CA CYS B 17 37.397 -5.141 -23.824 1.00 0.00 C ATOM 1125 C CYS B 17 37.772 -4.833 -25.268 1.00 0.00 C ATOM 1126 O CYS B 17 36.911 -4.768 -26.145 1.00 0.00 O ATOM 1127 CB CYS B 17 36.300 -4.185 -23.354 1.00 0.00 C ATOM 1128 SG CYS B 17 34.838 -4.138 -24.440 1.00 0.00 S ATOM 0 H CYS B 17 39.212 -4.294 -23.205 1.00 0.00 H new ATOM 0 HA CYS B 17 37.022 -6.163 -23.773 1.00 0.00 H new ATOM 0 HB2 CYS B 17 35.985 -4.475 -22.352 1.00 0.00 H new ATOM 0 HB3 CYS B 17 36.716 -3.180 -23.279 1.00 0.00 H new ATOM 1133 N GLY B 18 39.065 -4.641 -25.507 1.00 0.00 N ATOM 1134 CA GLY B 18 39.536 -4.335 -26.844 1.00 0.00 C ATOM 1135 C GLY B 18 41.048 -4.372 -26.947 1.00 0.00 C ATOM 1136 O GLY B 18 41.694 -5.257 -26.386 1.00 0.00 O ATOM 0 H GLY B 18 39.796 -4.692 -24.797 1.00 0.00 H new ATOM 0 HA2 GLY B 18 39.109 -5.049 -27.549 1.00 0.00 H new ATOM 0 HA3 GLY B 18 39.179 -3.347 -27.135 1.00 0.00 H new ATOM 1140 N PHE B 19 41.612 -3.409 -27.667 1.00 0.00 N ATOM 1141 CA PHE B 19 43.058 -3.331 -27.839 1.00 0.00 C ATOM 1142 C PHE B 19 43.647 -2.203 -26.997 1.00 0.00 C ATOM 1143 O PHE B 19 42.919 -1.356 -26.480 1.00 0.00 O ATOM 1144 CB PHE B 19 43.408 -3.128 -29.315 1.00 0.00 C ATOM 1145 CG PHE B 19 42.751 -1.927 -29.933 1.00 0.00 C ATOM 1146 CD1 PHE B 19 41.477 -2.020 -30.471 1.00 0.00 C ATOM 1147 CD2 PHE B 19 43.406 -0.708 -29.981 1.00 0.00 C ATOM 1148 CE1 PHE B 19 40.869 -0.919 -31.044 1.00 0.00 C ATOM 1149 CE2 PHE B 19 42.803 0.397 -30.552 1.00 0.00 C ATOM 1150 CZ PHE B 19 41.533 0.291 -31.084 1.00 0.00 C ATOM 0 H PHE B 19 41.090 -2.672 -28.141 1.00 0.00 H new ATOM 0 HA PHE B 19 43.491 -4.272 -27.500 1.00 0.00 H new ATOM 0 HB2 PHE B 19 44.489 -3.030 -29.412 1.00 0.00 H new ATOM 0 HB3 PHE B 19 43.117 -4.018 -29.874 1.00 0.00 H new ATOM 0 HD1 PHE B 19 40.953 -2.964 -30.442 1.00 0.00 H new ATOM 0 HD2 PHE B 19 44.400 -0.620 -29.567 1.00 0.00 H new ATOM 0 HE1 PHE B 19 39.876 -1.005 -31.460 1.00 0.00 H new ATOM 0 HE2 PHE B 19 43.325 1.342 -30.582 1.00 0.00 H new ATOM 0 HZ PHE B 19 41.060 1.153 -31.531 1.00 0.00 H new ATOM 1160 N PRO B 20 44.979 -2.188 -26.846 1.00 0.00 N ATOM 1161 CA PRO B 20 45.676 -1.172 -26.050 1.00 0.00 C ATOM 1162 C PRO B 20 45.619 0.208 -26.695 1.00 0.00 C ATOM 1163 O PRO B 20 45.563 1.225 -26.003 1.00 0.00 O ATOM 1164 CB PRO B 20 47.118 -1.682 -26.003 1.00 0.00 C ATOM 1165 CG PRO B 20 47.258 -2.537 -27.215 1.00 0.00 C ATOM 1166 CD PRO B 20 45.910 -3.165 -27.436 1.00 0.00 C ATOM 0 HA PRO B 20 45.224 -1.045 -25.066 1.00 0.00 H new ATOM 0 HB2 PRO B 20 47.830 -0.857 -26.016 1.00 0.00 H new ATOM 0 HB3 PRO B 20 47.307 -2.251 -25.093 1.00 0.00 H new ATOM 0 HG2 PRO B 20 47.559 -1.944 -28.079 1.00 0.00 H new ATOM 0 HG3 PRO B 20 48.024 -3.298 -27.069 1.00 0.00 H new ATOM 0 HD2 PRO B 20 45.709 -3.323 -28.496 1.00 0.00 H new ATOM 0 HD3 PRO B 20 45.835 -4.137 -26.949 1.00 0.00 H new ATOM 1174 N GLY B 21 45.634 0.237 -28.023 1.00 0.00 N ATOM 1175 CA GLY B 21 45.587 1.499 -28.738 1.00 0.00 C ATOM 1176 C GLY B 21 44.173 2.014 -28.915 1.00 0.00 C ATOM 1177 O GLY B 21 43.933 2.929 -29.703 1.00 0.00 O ATOM 0 H GLY B 21 45.678 -0.591 -28.617 1.00 0.00 H new ATOM 0 HA2 GLY B 21 46.175 2.241 -28.198 1.00 0.00 H new ATOM 0 HA3 GLY B 21 46.050 1.376 -29.717 1.00 0.00 H new ATOM 1181 N VAL B 22 43.233 1.425 -28.182 1.00 0.00 N ATOM 1182 CA VAL B 22 41.835 1.828 -28.265 1.00 0.00 C ATOM 1183 C VAL B 22 41.642 3.256 -27.766 1.00 0.00 C ATOM 1184 O VAL B 22 42.516 3.816 -27.104 1.00 0.00 O ATOM 1185 CB VAL B 22 40.928 0.887 -27.451 1.00 0.00 C ATOM 1186 CG1 VAL B 22 41.019 -0.536 -27.981 1.00 0.00 C ATOM 1187 CG2 VAL B 22 41.295 0.938 -25.975 1.00 0.00 C ATOM 0 H VAL B 22 43.415 0.667 -27.524 1.00 0.00 H new ATOM 0 HA VAL B 22 41.554 1.772 -29.317 1.00 0.00 H new ATOM 0 HB VAL B 22 39.897 1.224 -27.559 1.00 0.00 H new ATOM 0 HG11 VAL B 22 40.371 -1.186 -27.393 1.00 0.00 H new ATOM 0 HG12 VAL B 22 40.703 -0.557 -29.024 1.00 0.00 H new ATOM 0 HG13 VAL B 22 42.048 -0.887 -27.907 1.00 0.00 H new ATOM 0 HG21 VAL B 22 40.644 0.267 -25.415 1.00 0.00 H new ATOM 0 HG22 VAL B 22 42.332 0.628 -25.847 1.00 0.00 H new ATOM 0 HG23 VAL B 22 41.172 1.956 -25.604 1.00 0.00 H new ATOM 1197 N THR B 23 40.491 3.838 -28.087 1.00 0.00 N ATOM 1198 CA THR B 23 40.179 5.198 -27.664 1.00 0.00 C ATOM 1199 C THR B 23 38.766 5.285 -27.098 1.00 0.00 C ATOM 1200 O THR B 23 38.003 4.320 -27.154 1.00 0.00 O ATOM 1201 CB THR B 23 40.313 6.194 -28.831 1.00 0.00 C ATOM 1202 OG1 THR B 23 39.413 5.837 -29.887 1.00 0.00 O ATOM 1203 CG2 THR B 23 41.739 6.217 -29.361 1.00 0.00 C ATOM 0 H THR B 23 39.760 3.389 -28.638 1.00 0.00 H new ATOM 0 HA THR B 23 40.897 5.461 -26.887 1.00 0.00 H new ATOM 0 HB THR B 23 40.062 7.188 -28.461 1.00 0.00 H new ATOM 0 HG1 THR B 23 39.890 5.304 -30.557 1.00 0.00 H new ATOM 0 HG21 THR B 23 41.810 6.927 -30.185 1.00 0.00 H new ATOM 0 HG22 THR B 23 42.419 6.517 -28.564 1.00 0.00 H new ATOM 0 HG23 THR B 23 42.012 5.223 -29.715 1.00 0.00 H new ATOM 1211 N PRO B 24 38.402 6.451 -26.542 1.00 0.00 N ATOM 1212 CA PRO B 24 37.076 6.671 -25.960 1.00 0.00 C ATOM 1213 C PRO B 24 35.952 6.290 -26.917 1.00 0.00 C ATOM 1214 O PRO B 24 34.888 5.837 -26.493 1.00 0.00 O ATOM 1215 CB PRO B 24 37.055 8.176 -25.683 1.00 0.00 C ATOM 1216 CG PRO B 24 38.487 8.551 -25.522 1.00 0.00 C ATOM 1217 CD PRO B 24 39.260 7.645 -26.440 1.00 0.00 C ATOM 0 HA PRO B 24 36.914 6.058 -25.073 1.00 0.00 H new ATOM 0 HB2 PRO B 24 36.592 8.723 -26.504 1.00 0.00 H new ATOM 0 HB3 PRO B 24 36.482 8.405 -24.784 1.00 0.00 H new ATOM 0 HG2 PRO B 24 38.647 9.598 -25.781 1.00 0.00 H new ATOM 0 HG3 PRO B 24 38.809 8.426 -24.488 1.00 0.00 H new ATOM 0 HD2 PRO B 24 39.425 8.106 -27.414 1.00 0.00 H new ATOM 0 HD3 PRO B 24 40.241 7.401 -26.032 1.00 0.00 H new ATOM 1225 N SER B 25 36.193 6.478 -28.210 1.00 0.00 N ATOM 1226 CA SER B 25 35.199 6.157 -29.228 1.00 0.00 C ATOM 1227 C SER B 25 35.268 4.683 -29.610 1.00 0.00 C ATOM 1228 O SER B 25 34.341 3.918 -29.344 1.00 0.00 O ATOM 1229 CB SER B 25 35.408 7.028 -30.468 1.00 0.00 C ATOM 1230 OG SER B 25 34.448 6.731 -31.468 1.00 0.00 O ATOM 0 H SER B 25 37.068 6.851 -28.578 1.00 0.00 H new ATOM 0 HA SER B 25 34.212 6.360 -28.813 1.00 0.00 H new ATOM 0 HB2 SER B 25 35.338 8.080 -30.193 1.00 0.00 H new ATOM 0 HB3 SER B 25 36.411 6.868 -30.864 1.00 0.00 H new ATOM 0 HG SER B 25 34.602 7.302 -32.249 1.00 0.00 H new ATOM 1236 N GLN B 26 36.373 4.289 -30.235 1.00 0.00 N ATOM 1237 CA GLN B 26 36.563 2.905 -30.652 1.00 0.00 C ATOM 1238 C GLN B 26 36.030 1.942 -29.597 1.00 0.00 C ATOM 1239 O GLN B 26 35.513 0.873 -29.922 1.00 0.00 O ATOM 1240 CB GLN B 26 38.044 2.625 -30.910 1.00 0.00 C ATOM 1241 CG GLN B 26 38.650 3.499 -31.996 1.00 0.00 C ATOM 1242 CD GLN B 26 40.118 3.203 -32.230 1.00 0.00 C ATOM 1243 OE1 GLN B 26 40.992 3.802 -31.603 1.00 0.00 O ATOM 1244 NE2 GLN B 26 40.398 2.273 -33.137 1.00 0.00 N ATOM 0 H GLN B 26 37.150 4.909 -30.464 1.00 0.00 H new ATOM 0 HA GLN B 26 36.005 2.751 -31.576 1.00 0.00 H new ATOM 0 HB2 GLN B 26 38.600 2.773 -29.984 1.00 0.00 H new ATOM 0 HB3 GLN B 26 38.164 1.578 -31.189 1.00 0.00 H new ATOM 0 HG2 GLN B 26 38.100 3.351 -32.926 1.00 0.00 H new ATOM 0 HG3 GLN B 26 38.534 4.547 -31.721 1.00 0.00 H new ATOM 0 HE21 GLN B 26 39.642 1.801 -33.634 1.00 0.00 H new ATOM 0 HE22 GLN B 26 41.369 2.031 -33.336 1.00 0.00 H new ATOM 1253 N CYS B 27 36.161 2.326 -28.332 1.00 0.00 N ATOM 1254 CA CYS B 27 35.700 1.492 -27.229 1.00 0.00 C ATOM 1255 C CYS B 27 34.195 1.642 -27.030 1.00 0.00 C ATOM 1256 O CYS B 27 33.443 0.677 -27.162 1.00 0.00 O ATOM 1257 CB CYS B 27 36.438 1.862 -25.941 1.00 0.00 C ATOM 1258 SG CYS B 27 36.030 0.799 -24.519 1.00 0.00 S ATOM 0 H CYS B 27 36.583 3.209 -28.045 1.00 0.00 H new ATOM 0 HA CYS B 27 35.914 0.452 -27.475 1.00 0.00 H new ATOM 0 HB2 CYS B 27 37.512 1.811 -26.123 1.00 0.00 H new ATOM 0 HB3 CYS B 27 36.206 2.896 -25.686 1.00 0.00 H new ATOM 1263 N ALA B 28 33.761 2.862 -26.729 1.00 0.00 N ATOM 1264 CA ALA B 28 32.343 3.147 -26.558 1.00 0.00 C ATOM 1265 C ALA B 28 31.513 2.428 -27.614 1.00 0.00 C ATOM 1266 O ALA B 28 30.395 1.988 -27.346 1.00 0.00 O ATOM 1267 CB ALA B 28 32.095 4.647 -26.617 1.00 0.00 C ATOM 0 H ALA B 28 34.372 3.668 -26.599 1.00 0.00 H new ATOM 0 HA ALA B 28 32.036 2.780 -25.578 1.00 0.00 H new ATOM 0 HB1 ALA B 28 31.031 4.845 -26.488 1.00 0.00 H new ATOM 0 HB2 ALA B 28 32.655 5.140 -25.822 1.00 0.00 H new ATOM 0 HB3 ALA B 28 32.421 5.032 -27.583 1.00 0.00 H new ATOM 1273 N ASN B 29 32.075 2.296 -28.812 1.00 0.00 N ATOM 1274 CA ASN B 29 31.407 1.581 -29.891 1.00 0.00 C ATOM 1275 C ASN B 29 30.920 0.221 -29.406 1.00 0.00 C ATOM 1276 O ASN B 29 29.838 -0.233 -29.779 1.00 0.00 O ATOM 1277 CB ASN B 29 32.355 1.406 -31.080 1.00 0.00 C ATOM 1278 CG ASN B 29 31.703 0.675 -32.237 1.00 0.00 C ATOM 1279 OD1 ASN B 29 30.820 -0.161 -32.041 1.00 0.00 O ATOM 1280 ND2 ASN B 29 32.137 0.986 -33.453 1.00 0.00 N ATOM 0 H ASN B 29 32.990 2.675 -29.058 1.00 0.00 H new ATOM 0 HA ASN B 29 30.546 2.167 -30.212 1.00 0.00 H new ATOM 0 HB2 ASN B 29 32.694 2.385 -31.418 1.00 0.00 H new ATOM 0 HB3 ASN B 29 33.239 0.856 -30.758 1.00 0.00 H new ATOM 0 HD21 ASN B 29 31.737 0.526 -34.271 1.00 0.00 H new ATOM 0 HD22 ASN B 29 32.871 1.685 -33.569 1.00 0.00 H new ATOM 1287 N LYS B 30 31.715 -0.410 -28.549 1.00 0.00 N ATOM 1288 CA LYS B 30 31.337 -1.681 -27.945 1.00 0.00 C ATOM 1289 C LYS B 30 30.515 -1.449 -26.682 1.00 0.00 C ATOM 1290 O LYS B 30 29.643 -2.248 -26.340 1.00 0.00 O ATOM 1291 CB LYS B 30 32.584 -2.503 -27.613 1.00 0.00 C ATOM 1292 CG LYS B 30 33.454 -2.803 -28.822 1.00 0.00 C ATOM 1293 CD LYS B 30 32.688 -3.578 -29.882 1.00 0.00 C ATOM 1294 CE LYS B 30 33.555 -3.867 -31.096 1.00 0.00 C ATOM 1295 NZ LYS B 30 34.052 -2.616 -31.733 1.00 0.00 N ATOM 0 H LYS B 30 32.628 -0.060 -28.257 1.00 0.00 H new ATOM 0 HA LYS B 30 30.729 -2.234 -28.661 1.00 0.00 H new ATOM 0 HB2 LYS B 30 33.177 -1.965 -26.873 1.00 0.00 H new ATOM 0 HB3 LYS B 30 32.278 -3.443 -27.154 1.00 0.00 H new ATOM 0 HG2 LYS B 30 33.822 -1.869 -29.247 1.00 0.00 H new ATOM 0 HG3 LYS B 30 34.327 -3.377 -28.510 1.00 0.00 H new ATOM 0 HD2 LYS B 30 32.328 -4.516 -29.459 1.00 0.00 H new ATOM 0 HD3 LYS B 30 31.810 -3.008 -30.188 1.00 0.00 H new ATOM 0 HE2 LYS B 30 34.402 -4.484 -30.798 1.00 0.00 H new ATOM 0 HE3 LYS B 30 32.982 -4.442 -31.823 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 34.417 -2.831 -32.683 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 33.272 -1.932 -31.809 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 34.814 -2.210 -31.153 1.00 0.00 H new ATOM 1309 N GLY B 31 30.792 -0.341 -26.002 1.00 0.00 N ATOM 1310 CA GLY B 31 30.048 0.004 -24.805 1.00 0.00 C ATOM 1311 C GLY B 31 30.800 -0.330 -23.532 1.00 0.00 C ATOM 1312 O GLY B 31 30.196 -0.511 -22.476 1.00 0.00 O ATOM 0 H GLY B 31 31.520 0.325 -26.260 1.00 0.00 H new ATOM 0 HA2 GLY B 31 29.820 1.070 -24.818 1.00 0.00 H new ATOM 0 HA3 GLY B 31 29.095 -0.526 -24.809 1.00 0.00 H new ATOM 1316 N CYS B 32 32.124 -0.399 -23.630 1.00 0.00 N ATOM 1317 CA CYS B 32 32.962 -0.676 -22.468 1.00 0.00 C ATOM 1318 C CYS B 32 33.615 0.602 -21.951 1.00 0.00 C ATOM 1319 O CYS B 32 33.800 1.563 -22.698 1.00 0.00 O ATOM 1320 CB CYS B 32 34.038 -1.705 -22.818 1.00 0.00 C ATOM 1321 SG CYS B 32 33.385 -3.346 -23.264 1.00 0.00 S ATOM 0 H CYS B 32 32.639 -0.267 -24.500 1.00 0.00 H new ATOM 0 HA CYS B 32 32.324 -1.082 -21.683 1.00 0.00 H new ATOM 0 HB2 CYS B 32 34.632 -1.325 -23.649 1.00 0.00 H new ATOM 0 HB3 CYS B 32 34.712 -1.813 -21.968 1.00 0.00 H new ATOM 1326 N CYS B 33 33.969 0.602 -20.670 1.00 0.00 N ATOM 1327 CA CYS B 33 34.617 1.755 -20.057 1.00 0.00 C ATOM 1328 C CYS B 33 35.975 2.018 -20.699 1.00 0.00 C ATOM 1329 O CYS B 33 36.646 1.093 -21.158 1.00 0.00 O ATOM 1330 CB CYS B 33 34.787 1.531 -18.554 1.00 0.00 C ATOM 1331 SG CYS B 33 33.222 1.275 -17.657 1.00 0.00 S ATOM 0 H CYS B 33 33.818 -0.183 -20.037 1.00 0.00 H new ATOM 0 HA CYS B 33 33.982 2.626 -20.218 1.00 0.00 H new ATOM 0 HB2 CYS B 33 35.429 0.664 -18.397 1.00 0.00 H new ATOM 0 HB3 CYS B 33 35.302 2.391 -18.126 1.00 0.00 H new ATOM 1336 N PHE B 34 36.376 3.285 -20.727 1.00 0.00 N ATOM 1337 CA PHE B 34 37.657 3.668 -21.310 1.00 0.00 C ATOM 1338 C PHE B 34 38.412 4.619 -20.387 1.00 0.00 C ATOM 1339 O PHE B 34 37.924 5.702 -20.062 1.00 0.00 O ATOM 1340 CB PHE B 34 37.442 4.324 -22.675 1.00 0.00 C ATOM 1341 CG PHE B 34 38.720 4.724 -23.357 1.00 0.00 C ATOM 1342 CD1 PHE B 34 39.284 5.968 -23.126 1.00 0.00 C ATOM 1343 CD2 PHE B 34 39.355 3.854 -24.229 1.00 0.00 C ATOM 1344 CE1 PHE B 34 40.459 6.338 -23.753 1.00 0.00 C ATOM 1345 CE2 PHE B 34 40.530 4.219 -24.859 1.00 0.00 C ATOM 1346 CZ PHE B 34 41.083 5.462 -24.620 1.00 0.00 C ATOM 0 H PHE B 34 35.833 4.063 -20.353 1.00 0.00 H new ATOM 0 HA PHE B 34 38.255 2.766 -21.438 1.00 0.00 H new ATOM 0 HB2 PHE B 34 36.897 3.634 -23.319 1.00 0.00 H new ATOM 0 HB3 PHE B 34 36.815 5.207 -22.550 1.00 0.00 H new ATOM 0 HD1 PHE B 34 38.800 6.656 -22.449 1.00 0.00 H new ATOM 0 HD2 PHE B 34 38.927 2.881 -24.418 1.00 0.00 H new ATOM 0 HE1 PHE B 34 40.889 7.311 -23.565 1.00 0.00 H new ATOM 0 HE2 PHE B 34 41.015 3.533 -25.537 1.00 0.00 H new ATOM 0 HZ PHE B 34 42.002 5.749 -25.110 1.00 0.00 H new ATOM 1356 N ASP B 35 39.603 4.207 -19.967 1.00 0.00 N ATOM 1357 CA ASP B 35 40.423 5.020 -19.076 1.00 0.00 C ATOM 1358 C ASP B 35 41.840 5.163 -19.622 1.00 0.00 C ATOM 1359 O ASP B 35 42.727 4.377 -19.289 1.00 0.00 O ATOM 1360 CB ASP B 35 40.463 4.400 -17.678 1.00 0.00 C ATOM 1361 CG ASP B 35 41.310 5.207 -16.712 1.00 0.00 C ATOM 1362 OD1 ASP B 35 40.757 6.110 -16.051 1.00 0.00 O ATOM 1363 OD2 ASP B 35 42.525 4.935 -16.618 1.00 0.00 O ATOM 0 H ASP B 35 40.022 3.315 -20.229 1.00 0.00 H new ATOM 0 HA ASP B 35 39.975 6.012 -19.013 1.00 0.00 H new ATOM 0 HB2 ASP B 35 39.448 4.322 -17.289 1.00 0.00 H new ATOM 0 HB3 ASP B 35 40.858 3.386 -17.744 1.00 0.00 H new ATOM 1368 N ASP B 36 42.046 6.172 -20.462 1.00 0.00 N ATOM 1369 CA ASP B 36 43.354 6.418 -21.056 1.00 0.00 C ATOM 1370 C ASP B 36 44.165 7.389 -20.204 1.00 0.00 C ATOM 1371 O ASP B 36 44.684 8.386 -20.706 1.00 0.00 O ATOM 1372 CB ASP B 36 43.198 6.974 -22.473 1.00 0.00 C ATOM 1373 CG ASP B 36 42.421 8.276 -22.500 1.00 0.00 C ATOM 1374 OD1 ASP B 36 41.554 8.468 -21.622 1.00 0.00 O ATOM 1375 OD2 ASP B 36 42.680 9.103 -23.399 1.00 0.00 O ATOM 0 H ASP B 36 41.323 6.833 -20.747 1.00 0.00 H new ATOM 0 HA ASP B 36 43.888 5.469 -21.102 1.00 0.00 H new ATOM 0 HB2 ASP B 36 44.184 7.133 -22.909 1.00 0.00 H new ATOM 0 HB3 ASP B 36 42.690 6.238 -23.096 1.00 0.00 H new ATOM 1380 N THR B 37 44.269 7.092 -18.913 1.00 0.00 N ATOM 1381 CA THR B 37 45.013 7.942 -17.992 1.00 0.00 C ATOM 1382 C THR B 37 46.192 7.193 -17.381 1.00 0.00 C ATOM 1383 O THR B 37 47.063 7.793 -16.752 1.00 0.00 O ATOM 1384 CB THR B 37 44.112 8.467 -16.859 1.00 0.00 C ATOM 1385 OG1 THR B 37 43.570 7.369 -16.114 1.00 0.00 O ATOM 1386 CG2 THR B 37 42.979 9.314 -17.417 1.00 0.00 C ATOM 0 H THR B 37 43.848 6.269 -18.481 1.00 0.00 H new ATOM 0 HA THR B 37 45.384 8.786 -18.573 1.00 0.00 H new ATOM 0 HB THR B 37 44.720 9.088 -16.201 1.00 0.00 H new ATOM 0 HG1 THR B 37 43.461 6.595 -16.705 1.00 0.00 H new ATOM 0 HG21 THR B 37 42.356 9.674 -16.598 1.00 0.00 H new ATOM 0 HG22 THR B 37 43.393 10.165 -17.958 1.00 0.00 H new ATOM 0 HG23 THR B 37 42.374 8.712 -18.095 1.00 0.00 H new ATOM 1394 N VAL B 38 46.213 5.877 -17.570 1.00 0.00 N ATOM 1395 CA VAL B 38 47.284 5.047 -17.035 1.00 0.00 C ATOM 1396 C VAL B 38 47.761 4.031 -18.067 1.00 0.00 C ATOM 1397 O VAL B 38 47.010 3.145 -18.474 1.00 0.00 O ATOM 1398 CB VAL B 38 46.836 4.300 -15.765 1.00 0.00 C ATOM 1399 CG1 VAL B 38 47.967 3.441 -15.222 1.00 0.00 C ATOM 1400 CG2 VAL B 38 46.350 5.284 -14.712 1.00 0.00 C ATOM 0 H VAL B 38 45.501 5.364 -18.089 1.00 0.00 H new ATOM 0 HA VAL B 38 48.106 5.717 -16.782 1.00 0.00 H new ATOM 0 HB VAL B 38 46.007 3.642 -16.026 1.00 0.00 H new ATOM 0 HG11 VAL B 38 47.631 2.921 -14.325 1.00 0.00 H new ATOM 0 HG12 VAL B 38 48.263 2.711 -15.975 1.00 0.00 H new ATOM 0 HG13 VAL B 38 48.819 4.074 -14.976 1.00 0.00 H new ATOM 0 HG21 VAL B 38 46.037 4.739 -13.821 1.00 0.00 H new ATOM 0 HG22 VAL B 38 47.158 5.969 -14.453 1.00 0.00 H new ATOM 0 HG23 VAL B 38 45.506 5.851 -15.105 1.00 0.00 H new ATOM 1410 N ARG B 39 49.015 4.166 -18.486 1.00 0.00 N ATOM 1411 CA ARG B 39 49.594 3.260 -19.470 1.00 0.00 C ATOM 1412 C ARG B 39 49.759 1.860 -18.889 1.00 0.00 C ATOM 1413 O ARG B 39 49.392 1.606 -17.743 1.00 0.00 O ATOM 1414 CB ARG B 39 50.947 3.790 -19.948 1.00 0.00 C ATOM 1415 CG ARG B 39 50.868 5.159 -20.605 1.00 0.00 C ATOM 1416 CD ARG B 39 52.235 5.636 -21.065 1.00 0.00 C ATOM 1417 NE ARG B 39 52.833 4.725 -22.037 1.00 0.00 N ATOM 1418 CZ ARG B 39 54.091 4.818 -22.456 1.00 0.00 C ATOM 1419 NH1 ARG B 39 54.880 5.775 -21.987 1.00 0.00 N ATOM 1420 NH2 ARG B 39 54.562 3.952 -23.343 1.00 0.00 N ATOM 0 H ARG B 39 49.650 4.895 -18.159 1.00 0.00 H new ATOM 0 HA ARG B 39 48.914 3.203 -20.320 1.00 0.00 H new ATOM 0 HB2 ARG B 39 51.628 3.843 -19.098 1.00 0.00 H new ATOM 0 HB3 ARG B 39 51.376 3.081 -20.656 1.00 0.00 H new ATOM 0 HG2 ARG B 39 50.191 5.116 -21.458 1.00 0.00 H new ATOM 0 HG3 ARG B 39 50.449 5.878 -19.901 1.00 0.00 H new ATOM 0 HD2 ARG B 39 52.143 6.628 -21.507 1.00 0.00 H new ATOM 0 HD3 ARG B 39 52.895 5.731 -20.203 1.00 0.00 H new ATOM 0 HE ARG B 39 52.253 3.976 -22.415 1.00 0.00 H new ATOM 0 HH11 ARG B 39 54.522 6.442 -21.303 1.00 0.00 H new ATOM 0 HH12 ARG B 39 55.845 5.844 -22.310 1.00 0.00 H new ATOM 0 HH21 ARG B 39 53.959 3.213 -23.705 1.00 0.00 H new ATOM 0 HH22 ARG B 39 55.528 4.025 -23.664 1.00 0.00 H new ATOM 1434 N GLY B 40 50.315 0.955 -19.688 1.00 0.00 N ATOM 1435 CA GLY B 40 50.520 -0.408 -19.235 1.00 0.00 C ATOM 1436 C GLY B 40 49.220 -1.174 -19.089 1.00 0.00 C ATOM 1437 O GLY B 40 49.138 -2.346 -19.456 1.00 0.00 O ATOM 0 H GLY B 40 50.627 1.141 -20.641 1.00 0.00 H new ATOM 0 HA2 GLY B 40 51.167 -0.928 -19.941 1.00 0.00 H new ATOM 0 HA3 GLY B 40 51.039 -0.395 -18.277 1.00 0.00 H new ATOM 1441 N VAL B 41 48.201 -0.510 -18.553 1.00 0.00 N ATOM 1442 CA VAL B 41 46.898 -1.135 -18.362 1.00 0.00 C ATOM 1443 C VAL B 41 45.988 -0.884 -19.559 1.00 0.00 C ATOM 1444 O VAL B 41 46.136 0.113 -20.265 1.00 0.00 O ATOM 1445 CB VAL B 41 46.205 -0.615 -17.088 1.00 0.00 C ATOM 1446 CG1 VAL B 41 47.052 -0.911 -15.860 1.00 0.00 C ATOM 1447 CG2 VAL B 41 45.925 0.876 -17.204 1.00 0.00 C ATOM 0 H VAL B 41 48.253 0.461 -18.243 1.00 0.00 H new ATOM 0 HA VAL B 41 47.074 -2.206 -18.259 1.00 0.00 H new ATOM 0 HB VAL B 41 45.253 -1.133 -16.977 1.00 0.00 H new ATOM 0 HG11 VAL B 41 46.546 -0.536 -14.970 1.00 0.00 H new ATOM 0 HG12 VAL B 41 47.197 -1.987 -15.769 1.00 0.00 H new ATOM 0 HG13 VAL B 41 48.021 -0.422 -15.960 1.00 0.00 H new ATOM 0 HG21 VAL B 41 45.435 1.226 -16.295 1.00 0.00 H new ATOM 0 HG22 VAL B 41 46.864 1.413 -17.340 1.00 0.00 H new ATOM 0 HG23 VAL B 41 45.275 1.059 -18.060 1.00 0.00 H new ATOM 1457 N PRO B 42 45.032 -1.793 -19.799 1.00 0.00 N ATOM 1458 CA PRO B 42 44.086 -1.674 -20.913 1.00 0.00 C ATOM 1459 C PRO B 42 43.099 -0.530 -20.711 1.00 0.00 C ATOM 1460 O PRO B 42 42.376 -0.490 -19.715 1.00 0.00 O ATOM 1461 CB PRO B 42 43.357 -3.019 -20.907 1.00 0.00 C ATOM 1462 CG PRO B 42 43.471 -3.506 -19.504 1.00 0.00 C ATOM 1463 CD PRO B 42 44.797 -3.008 -18.999 1.00 0.00 C ATOM 0 HA PRO B 42 44.589 -1.454 -21.855 1.00 0.00 H new ATOM 0 HB2 PRO B 42 42.314 -2.905 -21.203 1.00 0.00 H new ATOM 0 HB3 PRO B 42 43.812 -3.719 -21.607 1.00 0.00 H new ATOM 0 HG2 PRO B 42 42.653 -3.127 -18.892 1.00 0.00 H new ATOM 0 HG3 PRO B 42 43.422 -4.594 -19.463 1.00 0.00 H new ATOM 0 HD2 PRO B 42 44.763 -2.787 -17.932 1.00 0.00 H new ATOM 0 HD3 PRO B 42 45.586 -3.745 -19.147 1.00 0.00 H new ATOM 1471 N TRP B 43 43.076 0.402 -21.659 1.00 0.00 N ATOM 1472 CA TRP B 43 42.185 1.553 -21.574 1.00 0.00 C ATOM 1473 C TRP B 43 40.726 1.126 -21.703 1.00 0.00 C ATOM 1474 O TRP B 43 39.876 1.543 -20.916 1.00 0.00 O ATOM 1475 CB TRP B 43 42.527 2.575 -22.659 1.00 0.00 C ATOM 1476 CG TRP B 43 43.922 3.111 -22.553 1.00 0.00 C ATOM 1477 CD1 TRP B 43 44.618 3.365 -21.406 1.00 0.00 C ATOM 1478 CD2 TRP B 43 44.789 3.467 -23.636 1.00 0.00 C ATOM 1479 NE1 TRP B 43 45.866 3.852 -21.709 1.00 0.00 N ATOM 1480 CE2 TRP B 43 45.995 3.924 -23.072 1.00 0.00 C ATOM 1481 CE3 TRP B 43 44.665 3.441 -25.028 1.00 0.00 C ATOM 1482 CZ2 TRP B 43 47.067 4.352 -23.851 1.00 0.00 C ATOM 1483 CZ3 TRP B 43 45.729 3.866 -25.800 1.00 0.00 C ATOM 1484 CH2 TRP B 43 46.917 4.316 -25.210 1.00 0.00 C ATOM 0 H TRP B 43 43.663 0.382 -22.493 1.00 0.00 H new ATOM 0 HA TRP B 43 42.325 2.013 -20.596 1.00 0.00 H new ATOM 0 HB2 TRP B 43 42.397 2.112 -23.637 1.00 0.00 H new ATOM 0 HB3 TRP B 43 41.822 3.404 -22.602 1.00 0.00 H new ATOM 0 HD1 TRP B 43 44.242 3.206 -20.406 1.00 0.00 H new ATOM 0 HE1 TRP B 43 46.580 4.117 -21.031 1.00 0.00 H new ATOM 0 HE3 TRP B 43 43.753 3.095 -25.492 1.00 0.00 H new ATOM 0 HZ2 TRP B 43 47.984 4.700 -23.398 1.00 0.00 H new ATOM 0 HZ3 TRP B 43 45.643 3.851 -26.876 1.00 0.00 H new ATOM 0 HH2 TRP B 43 47.731 4.641 -25.841 1.00 0.00 H new ATOM 1495 N CYS B 44 40.441 0.294 -22.700 1.00 0.00 N ATOM 1496 CA CYS B 44 39.082 -0.179 -22.932 1.00 0.00 C ATOM 1497 C CYS B 44 38.831 -1.493 -22.200 1.00 0.00 C ATOM 1498 O CYS B 44 39.507 -2.492 -22.446 1.00 0.00 O ATOM 1499 CB CYS B 44 38.830 -0.361 -24.430 1.00 0.00 C ATOM 1500 SG CYS B 44 37.131 -0.875 -24.840 1.00 0.00 S ATOM 0 H CYS B 44 41.132 -0.066 -23.359 1.00 0.00 H new ATOM 0 HA CYS B 44 38.393 0.571 -22.544 1.00 0.00 H new ATOM 0 HB2 CYS B 44 39.048 0.577 -24.941 1.00 0.00 H new ATOM 0 HB3 CYS B 44 39.527 -1.104 -24.817 1.00 0.00 H new ATOM 1505 N PHE B 45 37.855 -1.484 -21.298 1.00 0.00 N ATOM 1506 CA PHE B 45 37.515 -2.674 -20.526 1.00 0.00 C ATOM 1507 C PHE B 45 36.031 -2.688 -20.177 1.00 0.00 C ATOM 1508 O PHE B 45 35.370 -1.650 -20.189 1.00 0.00 O ATOM 1509 CB PHE B 45 38.352 -2.733 -19.247 1.00 0.00 C ATOM 1510 CG PHE B 45 38.144 -1.553 -18.340 1.00 0.00 C ATOM 1511 CD1 PHE B 45 37.160 -1.578 -17.365 1.00 0.00 C ATOM 1512 CD2 PHE B 45 38.933 -0.421 -18.462 1.00 0.00 C ATOM 1513 CE1 PHE B 45 36.966 -0.494 -16.529 1.00 0.00 C ATOM 1514 CE2 PHE B 45 38.744 0.665 -17.630 1.00 0.00 C ATOM 1515 CZ PHE B 45 37.760 0.629 -16.661 1.00 0.00 C ATOM 0 H PHE B 45 37.285 -0.666 -21.084 1.00 0.00 H new ATOM 0 HA PHE B 45 37.735 -3.550 -21.137 1.00 0.00 H new ATOM 0 HB2 PHE B 45 38.108 -3.646 -18.704 1.00 0.00 H new ATOM 0 HB3 PHE B 45 39.407 -2.794 -19.515 1.00 0.00 H new ATOM 0 HD1 PHE B 45 36.538 -2.454 -17.257 1.00 0.00 H new ATOM 0 HD2 PHE B 45 39.705 -0.387 -19.217 1.00 0.00 H new ATOM 0 HE1 PHE B 45 36.195 -0.525 -15.774 1.00 0.00 H new ATOM 0 HE2 PHE B 45 39.365 1.542 -17.737 1.00 0.00 H new ATOM 0 HZ PHE B 45 37.612 1.477 -16.008 1.00 0.00 H new ATOM 1525 N TYR B 46 35.513 -3.871 -19.863 1.00 0.00 N ATOM 1526 CA TYR B 46 34.107 -4.018 -19.504 1.00 0.00 C ATOM 1527 C TYR B 46 33.761 -3.157 -18.294 1.00 0.00 C ATOM 1528 O TYR B 46 34.593 -2.948 -17.411 1.00 0.00 O ATOM 1529 CB TYR B 46 33.783 -5.484 -19.213 1.00 0.00 C ATOM 1530 CG TYR B 46 34.005 -6.400 -20.396 1.00 0.00 C ATOM 1531 CD1 TYR B 46 35.251 -6.962 -20.639 1.00 0.00 C ATOM 1532 CD2 TYR B 46 32.968 -6.700 -21.270 1.00 0.00 C ATOM 1533 CE1 TYR B 46 35.458 -7.798 -21.719 1.00 0.00 C ATOM 1534 CE2 TYR B 46 33.166 -7.536 -22.352 1.00 0.00 C ATOM 1535 CZ TYR B 46 34.413 -8.082 -22.572 1.00 0.00 C ATOM 1536 OH TYR B 46 34.614 -8.915 -23.649 1.00 0.00 O ATOM 0 H TYR B 46 36.045 -4.741 -19.850 1.00 0.00 H new ATOM 0 HA TYR B 46 33.506 -3.682 -20.349 1.00 0.00 H new ATOM 0 HB2 TYR B 46 34.398 -5.825 -18.380 1.00 0.00 H new ATOM 0 HB3 TYR B 46 32.743 -5.561 -18.894 1.00 0.00 H new ATOM 0 HD1 TYR B 46 36.072 -6.742 -19.973 1.00 0.00 H new ATOM 0 HD2 TYR B 46 31.991 -6.273 -21.101 1.00 0.00 H new ATOM 0 HE1 TYR B 46 36.434 -8.227 -21.894 1.00 0.00 H new ATOM 0 HE2 TYR B 46 32.349 -7.761 -23.022 1.00 0.00 H new ATOM 0 HH TYR B 46 33.776 -9.012 -24.148 1.00 0.00 H new ATOM 1546 N PRO B 47 32.524 -2.642 -18.246 1.00 0.00 N ATOM 1547 CA PRO B 47 32.065 -1.782 -17.152 1.00 0.00 C ATOM 1548 C PRO B 47 31.842 -2.558 -15.858 1.00 0.00 C ATOM 1549 O PRO B 47 32.213 -3.727 -15.751 1.00 0.00 O ATOM 1550 CB PRO B 47 30.742 -1.223 -17.675 1.00 0.00 C ATOM 1551 CG PRO B 47 30.250 -2.252 -18.633 1.00 0.00 C ATOM 1552 CD PRO B 47 31.477 -2.854 -19.262 1.00 0.00 C ATOM 0 HA PRO B 47 32.798 -1.016 -16.900 1.00 0.00 H new ATOM 0 HB2 PRO B 47 30.031 -1.064 -16.864 1.00 0.00 H new ATOM 0 HB3 PRO B 47 30.885 -0.261 -18.166 1.00 0.00 H new ATOM 0 HG2 PRO B 47 29.661 -3.013 -18.120 1.00 0.00 H new ATOM 0 HG3 PRO B 47 29.604 -1.805 -19.388 1.00 0.00 H new ATOM 0 HD2 PRO B 47 31.338 -3.913 -19.480 1.00 0.00 H new ATOM 0 HD3 PRO B 47 31.726 -2.365 -20.204 1.00 0.00 H new ATOM 1560 N ASN B 48 31.230 -1.900 -14.879 1.00 0.00 N ATOM 1561 CA ASN B 48 30.952 -2.527 -13.592 1.00 0.00 C ATOM 1562 C ASN B 48 29.453 -2.548 -13.313 1.00 0.00 C ATOM 1563 O ASN B 48 28.924 -1.663 -12.640 1.00 0.00 O ATOM 1564 CB ASN B 48 31.681 -1.785 -12.471 1.00 0.00 C ATOM 1565 CG ASN B 48 33.185 -1.782 -12.663 1.00 0.00 C ATOM 1566 OD1 ASN B 48 33.885 -2.675 -12.186 1.00 0.00 O ATOM 1567 ND2 ASN B 48 33.690 -0.775 -13.367 1.00 0.00 N ATOM 0 H ASN B 48 30.917 -0.932 -14.952 1.00 0.00 H new ATOM 0 HA ASN B 48 31.312 -3.555 -13.630 1.00 0.00 H new ATOM 0 HB2 ASN B 48 31.321 -0.757 -12.425 1.00 0.00 H new ATOM 0 HB3 ASN B 48 31.440 -2.250 -11.515 1.00 0.00 H new ATOM 0 HD21 ASN B 48 34.695 -0.721 -13.531 1.00 0.00 H new ATOM 0 HD22 ASN B 48 33.072 -0.056 -13.744 1.00 0.00 H new ATOM 1574 N THR B 49 28.774 -3.561 -13.841 1.00 0.00 N ATOM 1575 CA THR B 49 27.334 -3.694 -13.661 1.00 0.00 C ATOM 1576 C THR B 49 27.000 -4.186 -12.258 1.00 0.00 C ATOM 1577 O THR B 49 27.237 -5.347 -11.925 1.00 0.00 O ATOM 1578 CB THR B 49 26.726 -4.668 -14.689 1.00 0.00 C ATOM 1579 OG1 THR B 49 27.300 -5.971 -14.529 1.00 0.00 O ATOM 1580 CG2 THR B 49 26.965 -4.176 -16.109 1.00 0.00 C ATOM 0 H THR B 49 29.199 -4.302 -14.398 1.00 0.00 H new ATOM 0 HA THR B 49 26.904 -2.703 -13.810 1.00 0.00 H new ATOM 0 HB THR B 49 25.651 -4.720 -14.515 1.00 0.00 H new ATOM 0 HG1 THR B 49 27.394 -6.172 -13.574 1.00 0.00 H new ATOM 0 HG21 THR B 49 26.527 -4.880 -16.817 1.00 0.00 H new ATOM 0 HG22 THR B 49 26.503 -3.197 -16.238 1.00 0.00 H new ATOM 0 HG23 THR B 49 28.037 -4.098 -16.291 1.00 0.00 H new ATOM 1588 N ILE B 50 26.446 -3.299 -11.439 1.00 0.00 N ATOM 1589 CA ILE B 50 26.076 -3.653 -10.075 1.00 0.00 C ATOM 1590 C ILE B 50 24.572 -3.867 -9.954 1.00 0.00 C ATOM 1591 O ILE B 50 23.779 -3.112 -10.515 1.00 0.00 O ATOM 1592 CB ILE B 50 26.519 -2.573 -9.069 1.00 0.00 C ATOM 1593 CG1 ILE B 50 28.026 -2.337 -9.177 1.00 0.00 C ATOM 1594 CG2 ILE B 50 26.141 -2.982 -7.654 1.00 0.00 C ATOM 1595 CD1 ILE B 50 28.541 -1.277 -8.228 1.00 0.00 C ATOM 0 H ILE B 50 26.244 -2.333 -11.695 1.00 0.00 H new ATOM 0 HA ILE B 50 26.592 -4.584 -9.839 1.00 0.00 H new ATOM 0 HB ILE B 50 26.005 -1.641 -9.306 1.00 0.00 H new ATOM 0 HG12 ILE B 50 28.547 -3.274 -8.980 1.00 0.00 H new ATOM 0 HG13 ILE B 50 28.268 -2.046 -10.199 1.00 0.00 H new ATOM 0 HG21 ILE B 50 26.460 -2.209 -6.954 1.00 0.00 H new ATOM 0 HG22 ILE B 50 25.060 -3.107 -7.588 1.00 0.00 H new ATOM 0 HG23 ILE B 50 26.631 -3.923 -7.404 1.00 0.00 H new ATOM 0 HD11 ILE B 50 29.617 -1.163 -8.360 1.00 0.00 H new ATOM 0 HD12 ILE B 50 28.047 -0.329 -8.439 1.00 0.00 H new ATOM 0 HD13 ILE B 50 28.331 -1.575 -7.201 1.00 0.00 H new ATOM 1607 N ASP B 51 24.188 -4.921 -9.241 1.00 0.00 N ATOM 1608 CA ASP B 51 22.783 -5.285 -9.115 1.00 0.00 C ATOM 1609 C ASP B 51 22.560 -6.185 -7.903 1.00 0.00 C ATOM 1610 O ASP B 51 23.494 -6.815 -7.407 1.00 0.00 O ATOM 1611 CB ASP B 51 22.310 -5.998 -10.383 1.00 0.00 C ATOM 1612 CG ASP B 51 22.606 -5.202 -11.638 1.00 0.00 C ATOM 1613 OD1 ASP B 51 21.748 -4.392 -12.045 1.00 0.00 O ATOM 1614 OD2 ASP B 51 23.698 -5.389 -12.216 1.00 0.00 O ATOM 0 H ASP B 51 24.830 -5.537 -8.742 1.00 0.00 H new ATOM 0 HA ASP B 51 22.206 -4.371 -8.978 1.00 0.00 H new ATOM 0 HB2 ASP B 51 22.795 -6.972 -10.451 1.00 0.00 H new ATOM 0 HB3 ASP B 51 21.237 -6.180 -10.316 1.00 0.00 H new ATOM 1619 N VAL B 52 21.315 -6.256 -7.445 1.00 0.00 N ATOM 1620 CA VAL B 52 20.962 -7.123 -6.328 1.00 0.00 C ATOM 1621 C VAL B 52 19.728 -7.965 -6.647 1.00 0.00 C ATOM 1622 O VAL B 52 19.091 -8.511 -5.746 1.00 0.00 O ATOM 1623 CB VAL B 52 20.695 -6.312 -5.045 1.00 0.00 C ATOM 1624 CG1 VAL B 52 21.922 -5.500 -4.661 1.00 0.00 C ATOM 1625 CG2 VAL B 52 19.484 -5.410 -5.224 1.00 0.00 C ATOM 0 H VAL B 52 20.534 -5.724 -7.830 1.00 0.00 H new ATOM 0 HA VAL B 52 21.815 -7.781 -6.163 1.00 0.00 H new ATOM 0 HB VAL B 52 20.482 -7.010 -4.235 1.00 0.00 H new ATOM 0 HG11 VAL B 52 21.714 -4.934 -3.753 1.00 0.00 H new ATOM 0 HG12 VAL B 52 22.762 -6.172 -4.486 1.00 0.00 H new ATOM 0 HG13 VAL B 52 22.170 -4.811 -5.469 1.00 0.00 H new ATOM 0 HG21 VAL B 52 19.312 -4.846 -4.307 1.00 0.00 H new ATOM 0 HG22 VAL B 52 19.664 -4.719 -6.047 1.00 0.00 H new ATOM 0 HG23 VAL B 52 18.607 -6.018 -5.446 1.00 0.00 H new ATOM 1635 N PRO B 53 19.379 -8.085 -7.939 1.00 0.00 N ATOM 1636 CA PRO B 53 18.224 -8.872 -8.378 1.00 0.00 C ATOM 1637 C PRO B 53 18.446 -10.370 -8.196 1.00 0.00 C ATOM 1638 O PRO B 53 19.356 -10.948 -8.789 1.00 0.00 O ATOM 1639 CB PRO B 53 18.087 -8.536 -9.871 1.00 0.00 C ATOM 1640 CG PRO B 53 18.997 -7.375 -10.111 1.00 0.00 C ATOM 1641 CD PRO B 53 20.076 -7.468 -9.073 1.00 0.00 C ATOM 0 HA PRO B 53 17.334 -8.634 -7.796 1.00 0.00 H new ATOM 0 HB2 PRO B 53 18.367 -9.388 -10.491 1.00 0.00 H new ATOM 0 HB3 PRO B 53 17.057 -8.284 -10.122 1.00 0.00 H new ATOM 0 HG2 PRO B 53 19.419 -7.412 -11.115 1.00 0.00 H new ATOM 0 HG3 PRO B 53 18.456 -6.432 -10.027 1.00 0.00 H new ATOM 0 HD2 PRO B 53 20.914 -8.077 -9.413 1.00 0.00 H new ATOM 0 HD3 PRO B 53 20.477 -6.487 -8.817 1.00 0.00 H new ATOM 1649 N PRO B 54 17.606 -11.017 -7.375 1.00 0.00 N ATOM 1650 CA PRO B 54 17.697 -12.459 -7.126 1.00 0.00 C ATOM 1651 C PRO B 54 17.275 -13.281 -8.339 1.00 0.00 C ATOM 1652 O PRO B 54 17.010 -12.735 -9.410 1.00 0.00 O ATOM 1653 CB PRO B 54 16.727 -12.680 -5.964 1.00 0.00 C ATOM 1654 CG PRO B 54 15.739 -11.570 -6.080 1.00 0.00 C ATOM 1655 CD PRO B 54 16.498 -10.393 -6.630 1.00 0.00 C ATOM 0 HA PRO B 54 18.718 -12.774 -6.910 1.00 0.00 H new ATOM 0 HB2 PRO B 54 16.240 -13.653 -6.034 1.00 0.00 H new ATOM 0 HB3 PRO B 54 17.244 -12.651 -5.005 1.00 0.00 H new ATOM 0 HG2 PRO B 54 14.917 -11.847 -6.740 1.00 0.00 H new ATOM 0 HG3 PRO B 54 15.302 -11.334 -5.110 1.00 0.00 H new ATOM 0 HD2 PRO B 54 15.873 -9.780 -7.279 1.00 0.00 H new ATOM 0 HD3 PRO B 54 16.864 -9.744 -5.834 1.00 0.00 H new ATOM 1663 N GLU B 55 17.213 -14.597 -8.164 1.00 0.00 N ATOM 1664 CA GLU B 55 16.822 -15.494 -9.245 1.00 0.00 C ATOM 1665 C GLU B 55 15.334 -15.821 -9.169 1.00 0.00 C ATOM 1666 O GLU B 55 14.494 -15.047 -9.627 1.00 0.00 O ATOM 1667 CB GLU B 55 17.644 -16.783 -9.190 1.00 0.00 C ATOM 1668 CG GLU B 55 19.140 -16.557 -9.331 1.00 0.00 C ATOM 1669 CD GLU B 55 19.701 -15.670 -8.236 1.00 0.00 C ATOM 1670 OE1 GLU B 55 19.726 -14.436 -8.426 1.00 0.00 O ATOM 1671 OE2 GLU B 55 20.115 -16.211 -7.189 1.00 0.00 O ATOM 0 H GLU B 55 17.428 -15.066 -7.284 1.00 0.00 H new ATOM 0 HA GLU B 55 17.016 -14.989 -10.191 1.00 0.00 H new ATOM 0 HB2 GLU B 55 17.449 -17.288 -8.244 1.00 0.00 H new ATOM 0 HB3 GLU B 55 17.310 -17.451 -9.983 1.00 0.00 H new ATOM 0 HG2 GLU B 55 19.652 -17.519 -9.313 1.00 0.00 H new ATOM 0 HG3 GLU B 55 19.346 -16.105 -10.301 1.00 0.00 H new ATOM 1678 N GLU B 56 15.016 -16.973 -8.589 1.00 0.00 N ATOM 1679 CA GLU B 56 13.629 -17.403 -8.454 1.00 0.00 C ATOM 1680 C GLU B 56 13.398 -18.083 -7.108 1.00 0.00 C ATOM 1681 O GLU B 56 14.329 -18.606 -6.498 1.00 0.00 O ATOM 1682 CB GLU B 56 13.255 -18.356 -9.590 1.00 0.00 C ATOM 1683 CG GLU B 56 14.104 -19.616 -9.630 1.00 0.00 C ATOM 1684 CD GLU B 56 13.997 -20.432 -8.357 1.00 0.00 C ATOM 1685 OE1 GLU B 56 12.928 -20.390 -7.713 1.00 0.00 O ATOM 1686 OE2 GLU B 56 14.982 -21.114 -8.004 1.00 0.00 O ATOM 0 H GLU B 56 15.699 -17.626 -8.205 1.00 0.00 H new ATOM 0 HA GLU B 56 12.995 -16.518 -8.508 1.00 0.00 H new ATOM 0 HB2 GLU B 56 12.207 -18.637 -9.487 1.00 0.00 H new ATOM 0 HB3 GLU B 56 13.353 -17.831 -10.540 1.00 0.00 H new ATOM 0 HG2 GLU B 56 13.797 -20.229 -10.477 1.00 0.00 H new ATOM 0 HG3 GLU B 56 15.146 -19.342 -9.795 1.00 0.00 H new ATOM 1693 N GLU B 57 12.149 -18.071 -6.652 1.00 0.00 N ATOM 1694 CA GLU B 57 11.794 -18.689 -5.380 1.00 0.00 C ATOM 1695 C GLU B 57 10.699 -19.733 -5.570 1.00 0.00 C ATOM 1696 O GLU B 57 10.873 -20.701 -6.310 1.00 0.00 O ATOM 1697 CB GLU B 57 11.333 -17.623 -4.384 1.00 0.00 C ATOM 1698 CG GLU B 57 10.949 -18.185 -3.025 1.00 0.00 C ATOM 1699 CD GLU B 57 10.490 -17.111 -2.058 1.00 0.00 C ATOM 1700 OE1 GLU B 57 9.276 -16.821 -2.027 1.00 0.00 O ATOM 1701 OE2 GLU B 57 11.345 -16.561 -1.333 1.00 0.00 O ATOM 0 H GLU B 57 11.367 -17.640 -7.145 1.00 0.00 H new ATOM 0 HA GLU B 57 12.680 -19.187 -4.985 1.00 0.00 H new ATOM 0 HB2 GLU B 57 12.130 -16.891 -4.253 1.00 0.00 H new ATOM 0 HB3 GLU B 57 10.478 -17.092 -4.803 1.00 0.00 H new ATOM 0 HG2 GLU B 57 10.153 -18.919 -3.151 1.00 0.00 H new ATOM 0 HG3 GLU B 57 11.803 -18.711 -2.599 1.00 0.00 H new ATOM 1708 N CYS B 58 9.569 -19.529 -4.900 1.00 0.00 N ATOM 1709 CA CYS B 58 8.442 -20.448 -5.006 1.00 0.00 C ATOM 1710 C CYS B 58 7.461 -19.990 -6.080 1.00 0.00 C ATOM 1711 O CYS B 58 7.609 -18.909 -6.651 1.00 0.00 O ATOM 1712 CB CYS B 58 7.721 -20.566 -3.661 1.00 0.00 C ATOM 1713 SG CYS B 58 8.733 -21.294 -2.333 1.00 0.00 S ATOM 0 H CYS B 58 9.410 -18.736 -4.279 1.00 0.00 H new ATOM 0 HA CYS B 58 8.833 -21.425 -5.289 1.00 0.00 H new ATOM 0 HB2 CYS B 58 7.392 -19.575 -3.350 1.00 0.00 H new ATOM 0 HB3 CYS B 58 6.825 -21.172 -3.794 1.00 0.00 H new ATOM 1718 N GLU B 59 6.458 -20.820 -6.349 1.00 0.00 N ATOM 1719 CA GLU B 59 5.445 -20.500 -7.349 1.00 0.00 C ATOM 1720 C GLU B 59 4.288 -21.491 -7.286 1.00 0.00 C ATOM 1721 O GLU B 59 3.199 -21.223 -7.794 1.00 0.00 O ATOM 1722 CB GLU B 59 6.061 -20.505 -8.749 1.00 0.00 C ATOM 1723 CG GLU B 59 6.663 -21.843 -9.145 1.00 0.00 C ATOM 1724 CD GLU B 59 7.263 -21.823 -10.537 1.00 0.00 C ATOM 1725 OE1 GLU B 59 8.464 -21.504 -10.662 1.00 0.00 O ATOM 1726 OE2 GLU B 59 6.531 -22.126 -11.503 1.00 0.00 O ATOM 0 H GLU B 59 6.325 -21.720 -5.888 1.00 0.00 H new ATOM 0 HA GLU B 59 5.059 -19.504 -7.134 1.00 0.00 H new ATOM 0 HB2 GLU B 59 5.295 -20.232 -9.475 1.00 0.00 H new ATOM 0 HB3 GLU B 59 6.835 -19.739 -8.799 1.00 0.00 H new ATOM 0 HG2 GLU B 59 7.434 -22.118 -8.425 1.00 0.00 H new ATOM 0 HG3 GLU B 59 5.893 -22.613 -9.096 1.00 0.00 H new ATOM 1733 N PHE B 60 4.531 -22.637 -6.657 1.00 0.00 N ATOM 1734 CA PHE B 60 3.509 -23.668 -6.524 1.00 0.00 C ATOM 1735 C PHE B 60 3.787 -24.555 -5.314 1.00 0.00 C ATOM 1736 O PHE B 60 3.294 -24.226 -4.215 1.00 0.00 O ATOM 1737 CB PHE B 60 3.447 -24.521 -7.792 1.00 0.00 C ATOM 1738 CG PHE B 60 2.426 -25.621 -7.726 1.00 0.00 C ATOM 1739 CD1 PHE B 60 2.763 -26.867 -7.223 1.00 0.00 C ATOM 1740 CD2 PHE B 60 1.130 -25.408 -8.167 1.00 0.00 C ATOM 1741 CE1 PHE B 60 1.826 -27.881 -7.161 1.00 0.00 C ATOM 1742 CE2 PHE B 60 0.188 -26.418 -8.107 1.00 0.00 C ATOM 1743 CZ PHE B 60 0.537 -27.656 -7.604 1.00 0.00 C ATOM 1744 OXT PHE B 60 4.493 -25.572 -5.477 1.00 0.00 O ATOM 0 H PHE B 60 5.427 -22.874 -6.232 1.00 0.00 H new ATOM 0 HA PHE B 60 2.548 -23.175 -6.379 1.00 0.00 H new ATOM 0 HB2 PHE B 60 3.221 -23.877 -8.642 1.00 0.00 H new ATOM 0 HB3 PHE B 60 4.429 -24.958 -7.975 1.00 0.00 H new ATOM 0 HD1 PHE B 60 3.769 -27.048 -6.875 1.00 0.00 H new ATOM 0 HD2 PHE B 60 0.853 -24.442 -8.562 1.00 0.00 H new ATOM 0 HE1 PHE B 60 2.101 -28.848 -6.767 1.00 0.00 H new ATOM 0 HE2 PHE B 60 -0.819 -26.239 -8.453 1.00 0.00 H new ATOM 0 HZ PHE B 60 -0.197 -28.447 -7.557 1.00 0.00 H new TER 1754 PHE B 60