USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 569 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 67 CYS SG : rot -40:sc= -2.03! USER MOD Set 1.2: A 72 MET CE :methyl 166:sc= -1.95 (180deg=-1.88) USER MOD Set 2.1: A 15 SER OG : rot -101:sc= 0.0764 USER MOD Set 2.2: A 18 HIS : no HD1:sc= -6.9! K(o=-6.8!,f=-3.9) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 169:sc= 0.879 (180deg=0.645) USER MOD Single : A 2 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0899) USER MOD Single : A 4 THR OG1 : rot -17:sc= 0.298 USER MOD Single : A 6 TYR OH : rot 119:sc= -0.389 USER MOD Single : A 11 ASN : amide:sc= -1.22! C(o=-1.2!,f=-3!) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot -87:sc= 0.954 USER MOD Single : A 19 TYR OH : rot 100:sc= -0.239 USER MOD Single : A 23 SER OG : rot 168:sc= -4.23! USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 161:sc=-0.00468 (180deg=-0.217) USER MOD Single : A 34 SER OG : rot -64:sc= -0.555 USER MOD Single : A 36 GLN : amide:sc= -0.826 K(o=-0.83,f=-0.08) USER MOD Single : A 38 HIS : no HD1:sc= -1.56 X(o=-1.6,f=-1.2) USER MOD Single : A 39 ASN : amide:sc= -0.925 K(o=-0.92,f=-0.071) USER MOD Single : A 41 TYR OH : rot 180:sc= -2.43! USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot -55:sc= 0.111 USER MOD Single : A 47 ASN : amide:sc= -0.243 K(o=-0.24,f=-1.4!) USER MOD Single : A 48 GLN : amide:sc= -0.0308 X(o=-0.031,f=-0.46) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0183) USER MOD Single : A 54 ASN : amide:sc= -3.65! K(o=-3.7!,f=-0.9) USER MOD Single : A 57 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0407) USER MOD Single : A 58 SER OG : rot 180:sc= 0.0297 USER MOD Single : A 60 GLN : amide:sc= -0.716 X(o=-0.72,f=-0.72) USER MOD Single : A 66 LYS NZ :NH3+ -164:sc= -0.177 (180deg=-0.754) USER MOD Single : A 68 TYR OH : rot -167:sc= -7.31! USER MOD Single : A 73 MET CE :methyl -176:sc= 0 (180deg=-0.0328) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.390 -25.595 -17.530 1.00 0.00 N ATOM 2 CA MET A 1 -11.023 -24.160 -17.566 1.00 0.00 C ATOM 3 C MET A 1 -10.615 -23.691 -16.178 1.00 0.00 C ATOM 4 O MET A 1 -10.723 -24.424 -15.215 1.00 0.00 O ATOM 5 CB MET A 1 -12.227 -23.324 -18.030 1.00 0.00 C ATOM 6 CG MET A 1 -12.506 -23.623 -19.503 1.00 0.00 C ATOM 7 SD MET A 1 -12.868 -25.340 -19.949 1.00 0.00 S ATOM 8 CE MET A 1 -12.507 -25.197 -21.717 1.00 0.00 C ATOM 0 H1 MET A 1 -11.841 -25.861 -18.429 1.00 0.00 H new ATOM 0 H2 MET A 1 -10.534 -26.169 -17.390 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.053 -25.764 -16.747 1.00 0.00 H new ATOM 0 HA MET A 1 -10.191 -24.033 -18.259 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.103 -23.559 -17.426 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.022 -22.262 -17.894 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.349 -23.008 -19.818 1.00 0.00 H new ATOM 0 HG3 MET A 1 -11.641 -23.299 -20.082 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.668 -26.161 -22.200 1.00 0.00 H new ATOM 0 HE2 MET A 1 -13.166 -24.453 -22.164 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.470 -24.891 -21.853 1.00 0.00 H new ATOM 20 N LYS A 2 -10.151 -22.474 -16.097 1.00 0.00 N ATOM 21 CA LYS A 2 -9.732 -21.943 -14.778 1.00 0.00 C ATOM 22 C LYS A 2 -9.551 -20.432 -14.832 1.00 0.00 C ATOM 23 O LYS A 2 -8.637 -19.892 -14.240 1.00 0.00 O ATOM 24 CB LYS A 2 -8.390 -22.589 -14.401 1.00 0.00 C ATOM 25 CG LYS A 2 -7.434 -22.492 -15.591 1.00 0.00 C ATOM 26 CD LYS A 2 -6.019 -22.853 -15.132 1.00 0.00 C ATOM 27 CE LYS A 2 -5.084 -22.866 -16.343 1.00 0.00 C ATOM 28 NZ LYS A 2 -5.313 -24.087 -17.166 1.00 0.00 N ATOM 0 H LYS A 2 -10.046 -21.832 -16.883 1.00 0.00 H new ATOM 0 HA LYS A 2 -10.501 -22.174 -14.041 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -7.962 -22.087 -13.533 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -8.540 -23.632 -14.124 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -7.754 -23.166 -16.386 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -7.449 -21.483 -16.003 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -5.668 -22.131 -14.395 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -6.019 -23.829 -14.647 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -5.251 -21.975 -16.949 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -4.047 -22.834 -16.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -4.545 -24.186 -17.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -5.331 -24.924 -16.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -6.222 -24.004 -17.664 1.00 0.00 H new ATOM 42 N GLU A 3 -10.425 -19.771 -15.544 1.00 0.00 N ATOM 43 CA GLU A 3 -10.313 -18.294 -15.644 1.00 0.00 C ATOM 44 C GLU A 3 -10.163 -17.681 -14.258 1.00 0.00 C ATOM 45 O GLU A 3 -10.741 -18.157 -13.302 1.00 0.00 O ATOM 46 CB GLU A 3 -11.605 -17.754 -16.301 1.00 0.00 C ATOM 47 CG GLU A 3 -11.571 -16.215 -16.344 1.00 0.00 C ATOM 48 CD GLU A 3 -10.295 -15.746 -17.047 1.00 0.00 C ATOM 49 OE1 GLU A 3 -10.055 -16.255 -18.130 1.00 0.00 O ATOM 50 OE2 GLU A 3 -9.631 -14.906 -16.461 1.00 0.00 O ATOM 0 H GLU A 3 -11.203 -20.188 -16.055 1.00 0.00 H new ATOM 0 HA GLU A 3 -9.438 -18.032 -16.239 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -11.703 -18.152 -17.311 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -12.476 -18.091 -15.740 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -12.447 -15.837 -16.870 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -11.609 -15.812 -15.332 1.00 0.00 H new ATOM 57 N THR A 4 -9.391 -16.632 -14.170 1.00 0.00 N ATOM 58 CA THR A 4 -9.200 -15.983 -12.849 1.00 0.00 C ATOM 59 C THR A 4 -8.597 -14.595 -12.999 1.00 0.00 C ATOM 60 O THR A 4 -7.701 -14.386 -13.790 1.00 0.00 O ATOM 61 CB THR A 4 -8.227 -16.850 -12.028 1.00 0.00 C ATOM 62 OG1 THR A 4 -8.908 -18.068 -11.808 1.00 0.00 O ATOM 63 CG2 THR A 4 -8.011 -16.272 -10.619 1.00 0.00 C ATOM 0 H THR A 4 -8.891 -16.203 -14.948 1.00 0.00 H new ATOM 0 HA THR A 4 -10.169 -15.889 -12.358 1.00 0.00 H new ATOM 0 HB THR A 4 -7.276 -16.925 -12.555 1.00 0.00 H new ATOM 0 HG1 THR A 4 -9.865 -17.944 -11.981 1.00 0.00 H new ATOM 0 HG21 THR A 4 -7.319 -16.908 -10.067 1.00 0.00 H new ATOM 0 HG22 THR A 4 -7.596 -15.267 -10.698 1.00 0.00 H new ATOM 0 HG23 THR A 4 -8.965 -16.230 -10.093 1.00 0.00 H new ATOM 71 N ARG A 5 -9.117 -13.661 -12.240 1.00 0.00 N ATOM 72 CA ARG A 5 -8.589 -12.263 -12.312 1.00 0.00 C ATOM 73 C ARG A 5 -7.576 -12.086 -11.199 1.00 0.00 C ATOM 74 O ARG A 5 -7.415 -12.954 -10.366 1.00 0.00 O ATOM 75 CB ARG A 5 -9.763 -11.212 -12.152 1.00 0.00 C ATOM 76 CG ARG A 5 -11.103 -11.914 -11.832 1.00 0.00 C ATOM 77 CD ARG A 5 -11.706 -12.491 -13.121 1.00 0.00 C ATOM 78 NE ARG A 5 -12.993 -13.170 -12.792 1.00 0.00 N ATOM 79 CZ ARG A 5 -12.972 -14.310 -12.155 1.00 0.00 C ATOM 80 NH1 ARG A 5 -12.524 -15.371 -12.770 1.00 0.00 N ATOM 81 NH2 ARG A 5 -13.403 -14.352 -10.923 1.00 0.00 N ATOM 0 H ARG A 5 -9.879 -13.805 -11.578 1.00 0.00 H new ATOM 0 HA ARG A 5 -8.122 -12.094 -13.282 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -9.519 -10.509 -11.356 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -9.863 -10.632 -13.070 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -10.943 -12.711 -11.106 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -11.797 -11.205 -11.380 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -11.875 -11.696 -13.847 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -11.013 -13.198 -13.578 1.00 0.00 H new ATOM 0 HE ARG A 5 -13.881 -12.748 -13.062 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -12.197 -15.302 -13.734 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -12.501 -16.269 -12.287 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -13.748 -13.504 -10.474 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -13.394 -15.233 -10.409 1.00 0.00 H new ATOM 95 N TYR A 6 -6.910 -10.974 -11.192 1.00 0.00 N ATOM 96 CA TYR A 6 -5.893 -10.742 -10.123 1.00 0.00 C ATOM 97 C TYR A 6 -5.780 -9.254 -9.805 1.00 0.00 C ATOM 98 O TYR A 6 -6.471 -8.450 -10.398 1.00 0.00 O ATOM 99 CB TYR A 6 -4.547 -11.275 -10.659 1.00 0.00 C ATOM 100 CG TYR A 6 -4.804 -12.548 -11.479 1.00 0.00 C ATOM 101 CD1 TYR A 6 -4.944 -13.768 -10.849 1.00 0.00 C ATOM 102 CD2 TYR A 6 -4.909 -12.493 -12.854 1.00 0.00 C ATOM 103 CE1 TYR A 6 -5.180 -14.909 -11.578 1.00 0.00 C ATOM 104 CE2 TYR A 6 -5.143 -13.639 -13.584 1.00 0.00 C ATOM 105 CZ TYR A 6 -5.279 -14.856 -12.951 1.00 0.00 C ATOM 106 OH TYR A 6 -5.501 -16.004 -13.683 1.00 0.00 O ATOM 0 H TYR A 6 -7.018 -10.219 -11.869 1.00 0.00 H new ATOM 0 HA TYR A 6 -6.178 -11.253 -9.203 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -4.063 -10.520 -11.278 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -3.871 -11.490 -9.832 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -4.867 -13.827 -9.773 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -4.807 -11.545 -13.362 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -5.289 -15.856 -11.070 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -5.220 -13.583 -14.660 1.00 0.00 H new ATOM 0 HH TYR A 6 -6.344 -15.920 -14.175 1.00 0.00 H new ATOM 116 N CYS A 7 -4.914 -8.890 -8.874 1.00 0.00 N ATOM 117 CA CYS A 7 -4.809 -7.458 -8.570 1.00 0.00 C ATOM 118 C CYS A 7 -4.416 -6.723 -9.798 1.00 0.00 C ATOM 119 O CYS A 7 -3.552 -7.154 -10.535 1.00 0.00 O ATOM 120 CB CYS A 7 -3.782 -7.178 -7.464 1.00 0.00 C ATOM 121 SG CYS A 7 -3.766 -5.484 -6.832 1.00 0.00 S ATOM 0 H CYS A 7 -4.306 -9.513 -8.342 1.00 0.00 H new ATOM 0 HA CYS A 7 -5.783 -7.121 -8.215 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -3.974 -7.856 -6.633 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -2.789 -7.415 -7.845 1.00 0.00 H new ATOM 126 N ALA A 8 -5.045 -5.624 -10.016 1.00 0.00 N ATOM 127 CA ALA A 8 -4.711 -4.846 -11.212 1.00 0.00 C ATOM 128 C ALA A 8 -3.187 -4.709 -11.393 1.00 0.00 C ATOM 129 O ALA A 8 -2.709 -4.712 -12.508 1.00 0.00 O ATOM 130 CB ALA A 8 -5.350 -3.453 -11.073 1.00 0.00 C ATOM 0 H ALA A 8 -5.774 -5.231 -9.420 1.00 0.00 H new ATOM 0 HA ALA A 8 -5.096 -5.362 -12.091 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.114 -2.855 -11.953 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -6.431 -3.556 -10.983 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -4.958 -2.960 -10.184 1.00 0.00 H new ATOM 136 N VAL A 9 -2.437 -4.627 -10.294 1.00 0.00 N ATOM 137 CA VAL A 9 -0.946 -4.488 -10.452 1.00 0.00 C ATOM 138 C VAL A 9 -0.144 -4.849 -9.181 1.00 0.00 C ATOM 139 O VAL A 9 0.897 -5.469 -9.262 1.00 0.00 O ATOM 140 CB VAL A 9 -0.648 -2.975 -10.754 1.00 0.00 C ATOM 141 CG1 VAL A 9 0.874 -2.684 -10.588 1.00 0.00 C ATOM 142 CG2 VAL A 9 -1.083 -2.624 -12.193 1.00 0.00 C ATOM 0 H VAL A 9 -2.784 -4.650 -9.335 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.643 -5.174 -11.243 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.211 -2.364 -10.048 1.00 0.00 H new ATOM 0 HG11 VAL A 9 1.069 -1.633 -10.800 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.178 -2.911 -9.566 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.441 -3.305 -11.282 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.872 -1.573 -12.391 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.533 -3.244 -12.901 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.152 -2.806 -12.305 1.00 0.00 H new ATOM 152 N CYS A 10 -0.641 -4.457 -8.054 1.00 0.00 N ATOM 153 CA CYS A 10 0.097 -4.759 -6.783 1.00 0.00 C ATOM 154 C CYS A 10 0.326 -6.257 -6.464 1.00 0.00 C ATOM 155 O CYS A 10 1.390 -6.762 -6.739 1.00 0.00 O ATOM 156 CB CYS A 10 -0.615 -4.024 -5.594 1.00 0.00 C ATOM 157 SG CYS A 10 -1.284 -5.004 -4.225 1.00 0.00 S ATOM 0 H CYS A 10 -1.516 -3.945 -7.944 1.00 0.00 H new ATOM 0 HA CYS A 10 1.109 -4.382 -6.931 1.00 0.00 H new ATOM 0 HB2 CYS A 10 0.097 -3.315 -5.173 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -1.436 -3.441 -6.012 1.00 0.00 H new ATOM 162 N ASN A 11 -0.647 -6.958 -5.915 1.00 0.00 N ATOM 163 CA ASN A 11 -0.407 -8.399 -5.601 1.00 0.00 C ATOM 164 C ASN A 11 -0.832 -9.325 -6.718 1.00 0.00 C ATOM 165 O ASN A 11 -0.119 -9.503 -7.687 1.00 0.00 O ATOM 166 CB ASN A 11 -1.210 -8.742 -4.331 1.00 0.00 C ATOM 167 CG ASN A 11 -1.045 -10.231 -4.007 1.00 0.00 C ATOM 168 OD1 ASN A 11 -1.941 -11.025 -4.212 1.00 0.00 O ATOM 169 ND2 ASN A 11 0.083 -10.648 -3.501 1.00 0.00 N ATOM 0 H ASN A 11 -1.572 -6.600 -5.678 1.00 0.00 H new ATOM 0 HA ASN A 11 0.664 -8.543 -5.462 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -0.863 -8.136 -3.494 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -2.264 -8.506 -4.480 1.00 0.00 H new ATOM 0 HD21 ASN A 11 0.209 -11.636 -3.280 1.00 0.00 H new ATOM 0 HD22 ASN A 11 0.839 -9.986 -3.327 1.00 0.00 H new ATOM 176 N ASP A 12 -1.997 -9.877 -6.577 1.00 0.00 N ATOM 177 CA ASP A 12 -2.495 -10.797 -7.604 1.00 0.00 C ATOM 178 C ASP A 12 -3.922 -11.223 -7.273 1.00 0.00 C ATOM 179 O ASP A 12 -4.763 -10.388 -7.023 1.00 0.00 O ATOM 180 CB ASP A 12 -1.591 -12.055 -7.625 1.00 0.00 C ATOM 181 CG ASP A 12 -1.898 -12.878 -8.877 1.00 0.00 C ATOM 182 OD1 ASP A 12 -1.610 -12.365 -9.946 1.00 0.00 O ATOM 183 OD2 ASP A 12 -2.401 -13.975 -8.695 1.00 0.00 O ATOM 0 H ASP A 12 -2.624 -9.725 -5.787 1.00 0.00 H new ATOM 0 HA ASP A 12 -2.482 -10.300 -8.574 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -0.541 -11.762 -7.617 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -1.762 -12.655 -6.731 1.00 0.00 H new ATOM 188 N TYR A 13 -4.159 -12.533 -7.240 1.00 0.00 N ATOM 189 CA TYR A 13 -5.538 -13.044 -6.924 1.00 0.00 C ATOM 190 C TYR A 13 -6.327 -12.075 -6.067 1.00 0.00 C ATOM 191 O TYR A 13 -6.244 -12.081 -4.855 1.00 0.00 O ATOM 192 CB TYR A 13 -5.441 -14.338 -6.159 1.00 0.00 C ATOM 193 CG TYR A 13 -4.693 -15.401 -6.977 1.00 0.00 C ATOM 194 CD1 TYR A 13 -5.305 -16.036 -8.043 1.00 0.00 C ATOM 195 CD2 TYR A 13 -3.416 -15.786 -6.617 1.00 0.00 C ATOM 196 CE1 TYR A 13 -4.655 -17.042 -8.727 1.00 0.00 C ATOM 197 CE2 TYR A 13 -2.765 -16.790 -7.305 1.00 0.00 C ATOM 198 CZ TYR A 13 -3.380 -17.426 -8.365 1.00 0.00 C ATOM 199 OH TYR A 13 -2.731 -18.433 -9.050 1.00 0.00 O ATOM 0 H TYR A 13 -3.460 -13.254 -7.417 1.00 0.00 H new ATOM 0 HA TYR A 13 -6.047 -13.177 -7.879 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -4.924 -14.169 -5.214 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -6.441 -14.697 -5.915 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -6.300 -15.741 -8.342 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -2.923 -15.297 -5.790 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -5.148 -17.533 -9.553 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -1.767 -17.080 -7.012 1.00 0.00 H new ATOM 0 HH TYR A 13 -1.842 -18.572 -8.662 1.00 0.00 H new ATOM 209 N ALA A 14 -7.066 -11.272 -6.723 1.00 0.00 N ATOM 210 CA ALA A 14 -7.889 -10.270 -6.020 1.00 0.00 C ATOM 211 C ALA A 14 -9.074 -10.926 -5.328 1.00 0.00 C ATOM 212 O ALA A 14 -9.532 -11.974 -5.737 1.00 0.00 O ATOM 213 CB ALA A 14 -8.414 -9.263 -7.057 1.00 0.00 C ATOM 0 H ALA A 14 -7.145 -11.258 -7.740 1.00 0.00 H new ATOM 0 HA ALA A 14 -7.278 -9.775 -5.265 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -9.026 -8.512 -6.557 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -7.572 -8.776 -7.550 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -9.016 -9.786 -7.800 1.00 0.00 H new ATOM 219 N SER A 15 -9.549 -10.298 -4.287 1.00 0.00 N ATOM 220 CA SER A 15 -10.705 -10.870 -3.555 1.00 0.00 C ATOM 221 C SER A 15 -12.008 -10.584 -4.297 1.00 0.00 C ATOM 222 O SER A 15 -13.034 -11.165 -4.001 1.00 0.00 O ATOM 223 CB SER A 15 -10.763 -10.221 -2.157 1.00 0.00 C ATOM 224 OG SER A 15 -10.420 -8.864 -2.389 1.00 0.00 O ATOM 0 H SER A 15 -9.187 -9.419 -3.917 1.00 0.00 H new ATOM 0 HA SER A 15 -10.584 -11.950 -3.475 1.00 0.00 H new ATOM 0 HB2 SER A 15 -11.756 -10.311 -1.717 1.00 0.00 H new ATOM 0 HB3 SER A 15 -10.065 -10.696 -1.468 1.00 0.00 H new ATOM 0 HG SER A 15 -9.484 -8.716 -2.140 1.00 0.00 H new ATOM 230 N GLY A 16 -11.947 -9.688 -5.257 1.00 0.00 N ATOM 231 CA GLY A 16 -13.185 -9.351 -6.033 1.00 0.00 C ATOM 232 C GLY A 16 -13.139 -7.903 -6.534 1.00 0.00 C ATOM 233 O GLY A 16 -12.119 -7.248 -6.466 1.00 0.00 O ATOM 0 H GLY A 16 -11.106 -9.182 -5.533 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -13.284 -10.030 -6.880 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -14.064 -9.495 -5.404 1.00 0.00 H new ATOM 237 N TYR A 17 -14.259 -7.438 -7.037 1.00 0.00 N ATOM 238 CA TYR A 17 -14.323 -6.036 -7.554 1.00 0.00 C ATOM 239 C TYR A 17 -14.670 -5.067 -6.423 1.00 0.00 C ATOM 240 O TYR A 17 -15.606 -5.284 -5.681 1.00 0.00 O ATOM 241 CB TYR A 17 -15.438 -5.977 -8.664 1.00 0.00 C ATOM 242 CG TYR A 17 -14.893 -5.320 -9.955 1.00 0.00 C ATOM 243 CD1 TYR A 17 -13.727 -5.772 -10.544 1.00 0.00 C ATOM 244 CD2 TYR A 17 -15.581 -4.283 -10.558 1.00 0.00 C ATOM 245 CE1 TYR A 17 -13.260 -5.203 -11.710 1.00 0.00 C ATOM 246 CE2 TYR A 17 -15.113 -3.713 -11.725 1.00 0.00 C ATOM 247 CZ TYR A 17 -13.949 -4.170 -12.310 1.00 0.00 C ATOM 248 OH TYR A 17 -13.483 -3.600 -13.477 1.00 0.00 O ATOM 0 H TYR A 17 -15.128 -7.968 -7.111 1.00 0.00 H new ATOM 0 HA TYR A 17 -13.356 -5.747 -7.966 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -15.792 -6.984 -8.884 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -16.294 -5.412 -8.296 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -13.176 -6.580 -10.086 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -16.493 -3.916 -10.112 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -12.348 -5.569 -12.157 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -15.662 -2.904 -12.184 1.00 0.00 H new ATOM 0 HH TYR A 17 -12.854 -2.880 -13.261 1.00 0.00 H new ATOM 258 N HIS A 18 -13.905 -4.008 -6.320 1.00 0.00 N ATOM 259 CA HIS A 18 -14.167 -3.005 -5.246 1.00 0.00 C ATOM 260 C HIS A 18 -13.851 -1.598 -5.737 1.00 0.00 C ATOM 261 O HIS A 18 -14.442 -0.636 -5.287 1.00 0.00 O ATOM 262 CB HIS A 18 -13.251 -3.323 -4.038 1.00 0.00 C ATOM 263 CG HIS A 18 -13.058 -4.834 -3.921 1.00 0.00 C ATOM 264 ND1 HIS A 18 -11.968 -5.431 -4.073 1.00 0.00 N ATOM 265 CD2 HIS A 18 -13.981 -5.820 -3.631 1.00 0.00 C ATOM 266 CE1 HIS A 18 -12.101 -6.682 -3.911 1.00 0.00 C ATOM 267 NE2 HIS A 18 -13.357 -7.028 -3.625 1.00 0.00 N ATOM 0 H HIS A 18 -13.115 -3.797 -6.930 1.00 0.00 H new ATOM 0 HA HIS A 18 -15.219 -3.055 -4.963 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -12.286 -2.832 -4.162 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -13.692 -2.931 -3.122 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -15.031 -5.657 -3.439 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -11.288 -7.388 -3.995 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -13.746 -7.954 -3.448 1.00 0.00 H new ATOM 275 N TYR A 19 -12.918 -1.506 -6.658 1.00 0.00 N ATOM 276 CA TYR A 19 -12.534 -0.167 -7.204 1.00 0.00 C ATOM 277 C TYR A 19 -12.624 -0.180 -8.718 1.00 0.00 C ATOM 278 O TYR A 19 -11.713 0.251 -9.399 1.00 0.00 O ATOM 279 CB TYR A 19 -11.070 0.086 -6.824 1.00 0.00 C ATOM 280 CG TYR A 19 -10.977 0.304 -5.325 1.00 0.00 C ATOM 281 CD1 TYR A 19 -11.346 1.486 -4.753 1.00 0.00 C ATOM 282 CD2 TYR A 19 -10.646 -0.749 -4.517 1.00 0.00 C ATOM 283 CE1 TYR A 19 -11.416 1.598 -3.389 1.00 0.00 C ATOM 284 CE2 TYR A 19 -10.713 -0.636 -3.162 1.00 0.00 C ATOM 285 CZ TYR A 19 -11.100 0.539 -2.581 1.00 0.00 C ATOM 286 OH TYR A 19 -11.171 0.655 -1.208 1.00 0.00 O ATOM 0 H TYR A 19 -12.409 -2.297 -7.052 1.00 0.00 H new ATOM 0 HA TYR A 19 -13.197 0.600 -6.804 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -10.453 -0.762 -7.120 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -10.689 0.958 -7.355 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -11.583 2.335 -5.376 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -10.328 -1.681 -4.959 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -11.724 2.533 -2.946 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -10.458 -1.482 -2.541 1.00 0.00 H new ATOM 0 HH TYR A 19 -12.007 0.256 -0.889 1.00 0.00 H new ATOM 296 N GLY A 20 -13.713 -0.673 -9.228 1.00 0.00 N ATOM 297 CA GLY A 20 -13.854 -0.715 -10.701 1.00 0.00 C ATOM 298 C GLY A 20 -12.774 -1.631 -11.265 1.00 0.00 C ATOM 299 O GLY A 20 -12.547 -1.681 -12.456 1.00 0.00 O ATOM 0 H GLY A 20 -14.500 -1.043 -8.696 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -14.843 -1.081 -10.976 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -13.757 0.287 -11.119 1.00 0.00 H new ATOM 303 N VAL A 21 -12.126 -2.341 -10.369 1.00 0.00 N ATOM 304 CA VAL A 21 -11.044 -3.275 -10.791 1.00 0.00 C ATOM 305 C VAL A 21 -10.993 -4.480 -9.889 1.00 0.00 C ATOM 306 O VAL A 21 -11.586 -4.499 -8.832 1.00 0.00 O ATOM 307 CB VAL A 21 -9.669 -2.559 -10.643 1.00 0.00 C ATOM 308 CG1 VAL A 21 -9.568 -1.421 -11.669 1.00 0.00 C ATOM 309 CG2 VAL A 21 -9.500 -2.008 -9.172 1.00 0.00 C ATOM 0 H VAL A 21 -12.304 -2.310 -9.365 1.00 0.00 H new ATOM 0 HA VAL A 21 -11.245 -3.576 -11.819 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.866 -3.271 -10.833 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -8.605 -0.921 -11.564 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -9.657 -1.830 -12.676 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -10.370 -0.703 -11.497 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -8.535 -1.509 -9.079 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -10.298 -1.298 -8.956 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -9.550 -2.836 -8.465 1.00 0.00 H new ATOM 319 N TRP A 22 -10.276 -5.466 -10.321 1.00 0.00 N ATOM 320 CA TRP A 22 -10.157 -6.706 -9.491 1.00 0.00 C ATOM 321 C TRP A 22 -8.955 -6.511 -8.594 1.00 0.00 C ATOM 322 O TRP A 22 -7.877 -6.893 -8.951 1.00 0.00 O ATOM 323 CB TRP A 22 -9.879 -7.933 -10.397 1.00 0.00 C ATOM 324 CG TRP A 22 -11.005 -8.129 -11.410 1.00 0.00 C ATOM 325 CD1 TRP A 22 -10.906 -7.809 -12.680 1.00 0.00 C ATOM 326 CD2 TRP A 22 -12.177 -8.649 -11.142 1.00 0.00 C ATOM 327 NE1 TRP A 22 -12.097 -8.156 -13.194 1.00 0.00 N ATOM 328 CE2 TRP A 22 -12.967 -8.703 -12.275 1.00 0.00 C ATOM 329 CE3 TRP A 22 -12.673 -9.118 -9.941 1.00 0.00 C ATOM 330 CZ2 TRP A 22 -14.243 -9.219 -12.208 1.00 0.00 C ATOM 331 CZ3 TRP A 22 -13.952 -9.637 -9.877 1.00 0.00 C ATOM 332 CH2 TRP A 22 -14.735 -9.687 -11.010 1.00 0.00 C ATOM 0 H TRP A 22 -9.767 -5.478 -11.205 1.00 0.00 H new ATOM 0 HA TRP A 22 -11.076 -6.876 -8.930 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -8.933 -7.796 -10.921 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -9.777 -8.828 -9.783 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -10.063 -7.369 -13.192 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -12.337 -8.026 -14.177 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -12.061 -9.079 -9.052 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -14.857 -9.256 -13.095 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -14.339 -10.004 -8.938 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -15.734 -10.093 -10.958 1.00 0.00 H new ATOM 343 N SER A 23 -9.162 -5.909 -7.437 1.00 0.00 N ATOM 344 CA SER A 23 -8.009 -5.669 -6.487 1.00 0.00 C ATOM 345 C SER A 23 -8.102 -6.537 -5.229 1.00 0.00 C ATOM 346 O SER A 23 -9.160 -7.005 -4.872 1.00 0.00 O ATOM 347 CB SER A 23 -8.028 -4.163 -6.094 1.00 0.00 C ATOM 348 OG SER A 23 -9.067 -3.601 -6.884 1.00 0.00 O ATOM 0 H SER A 23 -10.069 -5.576 -7.110 1.00 0.00 H new ATOM 0 HA SER A 23 -7.078 -5.939 -6.985 1.00 0.00 H new ATOM 0 HB2 SER A 23 -8.224 -4.033 -5.030 1.00 0.00 H new ATOM 0 HB3 SER A 23 -7.070 -3.687 -6.302 1.00 0.00 H new ATOM 0 HG SER A 23 -9.274 -2.700 -6.559 1.00 0.00 H new ATOM 354 N CYS A 24 -6.967 -6.733 -4.571 1.00 0.00 N ATOM 355 CA CYS A 24 -6.981 -7.579 -3.325 1.00 0.00 C ATOM 356 C CYS A 24 -7.525 -6.831 -2.080 1.00 0.00 C ATOM 357 O CYS A 24 -7.970 -5.703 -2.172 1.00 0.00 O ATOM 358 CB CYS A 24 -5.557 -8.140 -3.054 1.00 0.00 C ATOM 359 SG CYS A 24 -4.094 -7.069 -3.229 1.00 0.00 S ATOM 0 H CYS A 24 -6.058 -6.354 -4.837 1.00 0.00 H new ATOM 0 HA CYS A 24 -7.673 -8.402 -3.505 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -5.552 -8.528 -2.035 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -5.414 -8.991 -3.720 1.00 0.00 H new ATOM 364 N GLU A 25 -7.466 -7.502 -0.931 1.00 0.00 N ATOM 365 CA GLU A 25 -7.973 -6.886 0.347 1.00 0.00 C ATOM 366 C GLU A 25 -7.012 -5.884 0.995 1.00 0.00 C ATOM 367 O GLU A 25 -7.216 -4.695 0.912 1.00 0.00 O ATOM 368 CB GLU A 25 -8.222 -8.028 1.343 1.00 0.00 C ATOM 369 CG GLU A 25 -9.076 -9.099 0.664 1.00 0.00 C ATOM 370 CD GLU A 25 -9.563 -10.100 1.713 1.00 0.00 C ATOM 371 OE1 GLU A 25 -10.456 -9.719 2.450 1.00 0.00 O ATOM 372 OE2 GLU A 25 -9.015 -11.190 1.715 1.00 0.00 O ATOM 0 H GLU A 25 -7.089 -8.445 -0.832 1.00 0.00 H new ATOM 0 HA GLU A 25 -8.874 -6.326 0.096 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.274 -8.454 1.673 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.728 -7.650 2.232 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -9.927 -8.638 0.163 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.495 -9.612 -0.102 1.00 0.00 H new ATOM 379 N GLY A 26 -5.998 -6.382 1.657 1.00 0.00 N ATOM 380 CA GLY A 26 -5.013 -5.446 2.323 1.00 0.00 C ATOM 381 C GLY A 26 -4.678 -4.279 1.396 1.00 0.00 C ATOM 382 O GLY A 26 -4.207 -3.243 1.823 1.00 0.00 O ATOM 0 H GLY A 26 -5.803 -7.377 1.770 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -5.433 -5.069 3.256 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -4.103 -5.988 2.580 1.00 0.00 H new ATOM 386 N CYS A 27 -4.932 -4.489 0.152 1.00 0.00 N ATOM 387 CA CYS A 27 -4.665 -3.456 -0.862 1.00 0.00 C ATOM 388 C CYS A 27 -5.843 -2.508 -0.936 1.00 0.00 C ATOM 389 O CYS A 27 -5.685 -1.312 -1.079 1.00 0.00 O ATOM 390 CB CYS A 27 -4.508 -4.211 -2.158 1.00 0.00 C ATOM 391 SG CYS A 27 -4.482 -3.330 -3.714 1.00 0.00 S ATOM 0 H CYS A 27 -5.324 -5.356 -0.216 1.00 0.00 H new ATOM 0 HA CYS A 27 -3.781 -2.860 -0.635 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -3.579 -4.777 -2.092 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -5.320 -4.936 -2.210 1.00 0.00 H new ATOM 396 N LYS A 28 -7.009 -3.069 -0.845 1.00 0.00 N ATOM 397 CA LYS A 28 -8.226 -2.243 -0.897 1.00 0.00 C ATOM 398 C LYS A 28 -8.209 -1.304 0.305 1.00 0.00 C ATOM 399 O LYS A 28 -8.368 -0.107 0.176 1.00 0.00 O ATOM 400 CB LYS A 28 -9.448 -3.224 -0.810 1.00 0.00 C ATOM 401 CG LYS A 28 -10.641 -2.584 -0.045 1.00 0.00 C ATOM 402 CD LYS A 28 -11.938 -3.303 -0.435 1.00 0.00 C ATOM 403 CE LYS A 28 -13.125 -2.636 0.269 1.00 0.00 C ATOM 404 NZ LYS A 28 -13.208 -3.085 1.687 1.00 0.00 N ATOM 0 H LYS A 28 -7.167 -4.071 -0.736 1.00 0.00 H new ATOM 0 HA LYS A 28 -8.288 -1.650 -1.810 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -9.766 -3.501 -1.815 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -9.143 -4.142 -0.308 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -10.480 -2.658 1.030 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -10.714 -1.523 -0.284 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -12.075 -3.267 -1.516 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -11.881 -4.355 -0.156 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -13.017 -1.552 0.230 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -14.050 -2.883 -0.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -14.017 -2.624 2.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -13.333 -4.117 1.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -12.332 -2.828 2.185 1.00 0.00 H new ATOM 418 N ALA A 29 -8.011 -1.887 1.456 1.00 0.00 N ATOM 419 CA ALA A 29 -7.972 -1.079 2.691 1.00 0.00 C ATOM 420 C ALA A 29 -6.900 -0.013 2.564 1.00 0.00 C ATOM 421 O ALA A 29 -7.116 1.141 2.878 1.00 0.00 O ATOM 422 CB ALA A 29 -7.618 -2.016 3.864 1.00 0.00 C ATOM 0 H ALA A 29 -7.875 -2.889 1.587 1.00 0.00 H new ATOM 0 HA ALA A 29 -8.936 -0.600 2.860 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -7.583 -1.442 4.790 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -8.375 -2.795 3.949 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -6.645 -2.474 3.683 1.00 0.00 H new ATOM 428 N PHE A 30 -5.759 -0.429 2.103 1.00 0.00 N ATOM 429 CA PHE A 30 -4.640 0.521 1.935 1.00 0.00 C ATOM 430 C PHE A 30 -5.079 1.689 1.098 1.00 0.00 C ATOM 431 O PHE A 30 -4.849 2.832 1.435 1.00 0.00 O ATOM 432 CB PHE A 30 -3.511 -0.218 1.187 1.00 0.00 C ATOM 433 CG PHE A 30 -2.367 0.749 0.862 1.00 0.00 C ATOM 434 CD1 PHE A 30 -2.473 1.629 -0.211 1.00 0.00 C ATOM 435 CD2 PHE A 30 -1.215 0.773 1.640 1.00 0.00 C ATOM 436 CE1 PHE A 30 -1.450 2.512 -0.492 1.00 0.00 C ATOM 437 CE2 PHE A 30 -0.202 1.660 1.348 1.00 0.00 C ATOM 438 CZ PHE A 30 -0.324 2.527 0.291 1.00 0.00 C ATOM 0 H PHE A 30 -5.555 -1.392 1.835 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.307 0.882 2.908 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -3.139 -1.041 1.798 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -3.900 -0.654 0.267 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.360 1.621 -0.827 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -1.114 0.095 2.475 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.536 3.191 -1.328 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.692 1.673 1.954 1.00 0.00 H new ATOM 0 HZ PHE A 30 0.471 3.225 0.075 1.00 0.00 H new ATOM 448 N PHE A 31 -5.705 1.380 0.017 1.00 0.00 N ATOM 449 CA PHE A 31 -6.180 2.452 -0.879 1.00 0.00 C ATOM 450 C PHE A 31 -7.249 3.299 -0.208 1.00 0.00 C ATOM 451 O PHE A 31 -7.278 4.502 -0.372 1.00 0.00 O ATOM 452 CB PHE A 31 -6.754 1.785 -2.155 1.00 0.00 C ATOM 453 CG PHE A 31 -7.163 2.860 -3.167 1.00 0.00 C ATOM 454 CD1 PHE A 31 -6.261 3.806 -3.575 1.00 0.00 C ATOM 455 CD2 PHE A 31 -8.459 2.914 -3.651 1.00 0.00 C ATOM 456 CE1 PHE A 31 -6.631 4.789 -4.431 1.00 0.00 C ATOM 457 CE2 PHE A 31 -8.851 3.908 -4.518 1.00 0.00 C ATOM 458 CZ PHE A 31 -7.933 4.855 -4.918 1.00 0.00 C ATOM 0 H PHE A 31 -5.911 0.429 -0.290 1.00 0.00 H new ATOM 0 HA PHE A 31 -5.350 3.114 -1.128 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -6.009 1.123 -2.596 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -7.616 1.169 -1.898 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -5.245 3.768 -3.211 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -9.173 2.165 -3.343 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -5.908 5.529 -4.739 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -9.867 3.946 -4.881 1.00 0.00 H new ATOM 0 HZ PHE A 31 -8.221 5.640 -5.602 1.00 0.00 H new ATOM 468 N LYS A 32 -8.107 2.671 0.534 1.00 0.00 N ATOM 469 CA LYS A 32 -9.171 3.447 1.216 1.00 0.00 C ATOM 470 C LYS A 32 -8.570 4.194 2.401 1.00 0.00 C ATOM 471 O LYS A 32 -9.252 4.925 3.092 1.00 0.00 O ATOM 472 CB LYS A 32 -10.274 2.442 1.710 1.00 0.00 C ATOM 473 CG LYS A 32 -11.650 2.846 1.147 1.00 0.00 C ATOM 474 CD LYS A 32 -12.132 4.123 1.847 1.00 0.00 C ATOM 475 CE LYS A 32 -13.606 4.355 1.506 1.00 0.00 C ATOM 476 NZ LYS A 32 -14.470 3.393 2.247 1.00 0.00 N ATOM 0 H LYS A 32 -8.120 1.664 0.698 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.614 4.173 0.534 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -10.024 1.430 1.390 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -10.307 2.433 2.799 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -11.581 3.011 0.072 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -12.369 2.041 1.300 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -12.006 4.031 2.926 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -11.533 4.976 1.527 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -13.888 5.377 1.760 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -13.760 4.240 0.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -15.447 3.749 2.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -14.449 2.469 1.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -14.118 3.288 3.220 1.00 0.00 H new ATOM 490 N ARG A 33 -7.295 3.991 2.614 1.00 0.00 N ATOM 491 CA ARG A 33 -6.624 4.673 3.744 1.00 0.00 C ATOM 492 C ARG A 33 -6.170 6.090 3.377 1.00 0.00 C ATOM 493 O ARG A 33 -5.965 6.907 4.253 1.00 0.00 O ATOM 494 CB ARG A 33 -5.384 3.847 4.128 1.00 0.00 C ATOM 495 CG ARG A 33 -4.936 4.236 5.540 1.00 0.00 C ATOM 496 CD ARG A 33 -3.784 3.324 5.970 1.00 0.00 C ATOM 497 NE ARG A 33 -3.242 3.809 7.271 1.00 0.00 N ATOM 498 CZ ARG A 33 -3.898 3.559 8.372 1.00 0.00 C ATOM 499 NH1 ARG A 33 -5.039 4.157 8.576 1.00 0.00 N ATOM 500 NH2 ARG A 33 -3.388 2.720 9.232 1.00 0.00 N ATOM 0 H ARG A 33 -6.698 3.384 2.053 1.00 0.00 H new ATOM 0 HA ARG A 33 -7.334 4.753 4.567 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -5.615 2.782 4.087 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -4.578 4.026 3.416 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -4.618 5.278 5.560 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -5.769 4.144 6.237 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -4.133 2.296 6.067 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -3.001 3.324 5.212 1.00 0.00 H new ATOM 0 HE ARG A 33 -2.367 4.332 7.301 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -5.405 4.808 7.881 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -5.565 3.974 9.430 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -2.492 2.273 9.038 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -3.885 2.512 10.098 1.00 0.00 H new ATOM 514 N SER A 34 -6.017 6.376 2.095 1.00 0.00 N ATOM 515 CA SER A 34 -5.567 7.771 1.733 1.00 0.00 C ATOM 516 C SER A 34 -5.949 8.197 0.347 1.00 0.00 C ATOM 517 O SER A 34 -5.206 8.903 -0.303 1.00 0.00 O ATOM 518 CB SER A 34 -4.095 7.761 1.774 1.00 0.00 C ATOM 519 OG SER A 34 -3.717 9.103 1.495 1.00 0.00 O ATOM 0 H SER A 34 -6.176 5.737 1.316 1.00 0.00 H new ATOM 0 HA SER A 34 -6.042 8.459 2.432 1.00 0.00 H new ATOM 0 HB2 SER A 34 -3.728 7.441 2.749 1.00 0.00 H new ATOM 0 HB3 SER A 34 -3.683 7.072 1.037 1.00 0.00 H new ATOM 0 HG SER A 34 -3.998 9.340 0.586 1.00 0.00 H new ATOM 525 N ILE A 35 -7.044 7.738 -0.095 1.00 0.00 N ATOM 526 CA ILE A 35 -7.511 8.122 -1.483 1.00 0.00 C ATOM 527 C ILE A 35 -7.140 9.578 -1.799 1.00 0.00 C ATOM 528 O ILE A 35 -6.899 10.361 -0.906 1.00 0.00 O ATOM 529 CB ILE A 35 -9.037 7.960 -1.584 1.00 0.00 C ATOM 530 CG1 ILE A 35 -9.474 6.559 -1.077 1.00 0.00 C ATOM 531 CG2 ILE A 35 -9.446 8.123 -3.080 1.00 0.00 C ATOM 532 CD1 ILE A 35 -9.180 5.493 -2.142 1.00 0.00 C ATOM 0 H ILE A 35 -7.664 7.110 0.417 1.00 0.00 H new ATOM 0 HA ILE A 35 -7.019 7.466 -2.201 1.00 0.00 H new ATOM 0 HB ILE A 35 -9.525 8.714 -0.967 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.946 6.317 -0.155 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -10.538 6.565 -0.842 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -10.526 8.012 -3.176 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -9.150 9.111 -3.432 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -8.948 7.360 -3.679 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -9.491 4.515 -1.774 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -9.729 5.729 -3.054 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -8.111 5.477 -2.355 1.00 0.00 H new ATOM 544 N GLN A 36 -7.117 9.905 -3.058 1.00 0.00 N ATOM 545 CA GLN A 36 -6.758 11.287 -3.452 1.00 0.00 C ATOM 546 C GLN A 36 -5.312 11.541 -3.061 1.00 0.00 C ATOM 547 O GLN A 36 -4.848 11.061 -2.045 1.00 0.00 O ATOM 548 CB GLN A 36 -7.660 12.319 -2.753 1.00 0.00 C ATOM 549 CG GLN A 36 -9.115 11.842 -2.795 1.00 0.00 C ATOM 550 CD GLN A 36 -10.046 13.022 -2.498 1.00 0.00 C ATOM 551 OE1 GLN A 36 -10.987 12.908 -1.738 1.00 0.00 O ATOM 552 NE2 GLN A 36 -9.817 14.168 -3.076 1.00 0.00 N ATOM 0 H GLN A 36 -7.332 9.273 -3.830 1.00 0.00 H new ATOM 0 HA GLN A 36 -6.894 11.392 -4.528 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -7.341 12.455 -1.720 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -7.570 13.288 -3.244 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -9.343 11.422 -3.774 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -9.271 11.049 -2.064 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -9.028 14.268 -3.715 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -10.427 14.964 -2.889 1.00 0.00 H new ATOM 561 N GLY A 37 -4.639 12.292 -3.857 1.00 0.00 N ATOM 562 CA GLY A 37 -3.201 12.597 -3.559 1.00 0.00 C ATOM 563 C GLY A 37 -2.982 12.886 -2.083 1.00 0.00 C ATOM 564 O GLY A 37 -1.995 12.490 -1.502 1.00 0.00 O ATOM 0 H GLY A 37 -5.007 12.718 -4.708 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.580 11.754 -3.861 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -2.881 13.456 -4.149 1.00 0.00 H new ATOM 568 N HIS A 38 -3.895 13.613 -1.555 1.00 0.00 N ATOM 569 CA HIS A 38 -3.855 14.010 -0.099 1.00 0.00 C ATOM 570 C HIS A 38 -3.117 12.996 0.802 1.00 0.00 C ATOM 571 O HIS A 38 -2.953 11.843 0.457 1.00 0.00 O ATOM 572 CB HIS A 38 -5.303 14.124 0.397 1.00 0.00 C ATOM 573 CG HIS A 38 -5.303 14.593 1.853 1.00 0.00 C ATOM 574 ND1 HIS A 38 -5.141 15.774 2.222 1.00 0.00 N ATOM 575 CD2 HIS A 38 -5.469 13.864 3.015 1.00 0.00 C ATOM 576 CE1 HIS A 38 -5.186 15.877 3.484 1.00 0.00 C ATOM 577 NE2 HIS A 38 -5.393 14.704 4.082 1.00 0.00 N ATOM 0 H HIS A 38 -4.702 13.972 -2.066 1.00 0.00 H new ATOM 0 HA HIS A 38 -3.308 14.950 -0.035 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -5.858 14.828 -0.224 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -5.805 13.160 0.313 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -5.633 12.798 3.068 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -5.070 16.810 4.015 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -5.473 14.492 5.077 1.00 0.00 H new ATOM 585 N ASN A 39 -2.715 13.476 1.973 1.00 0.00 N ATOM 586 CA ASN A 39 -1.979 12.610 2.963 1.00 0.00 C ATOM 587 C ASN A 39 -0.490 12.577 2.646 1.00 0.00 C ATOM 588 O ASN A 39 -0.092 12.666 1.502 1.00 0.00 O ATOM 589 CB ASN A 39 -2.545 11.163 2.934 1.00 0.00 C ATOM 590 CG ASN A 39 -2.484 10.553 4.346 1.00 0.00 C ATOM 591 OD1 ASN A 39 -3.494 10.347 4.989 1.00 0.00 O ATOM 592 ND2 ASN A 39 -1.322 10.253 4.857 1.00 0.00 N ATOM 0 H ASN A 39 -2.869 14.436 2.281 1.00 0.00 H new ATOM 0 HA ASN A 39 -2.120 13.035 3.957 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -3.574 11.172 2.576 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -1.971 10.551 2.238 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -1.265 9.848 5.791 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -0.470 10.423 4.322 1.00 0.00 H new ATOM 599 N ASP A 40 0.305 12.446 3.672 1.00 0.00 N ATOM 600 CA ASP A 40 1.781 12.402 3.452 1.00 0.00 C ATOM 601 C ASP A 40 2.174 11.002 3.120 1.00 0.00 C ATOM 602 O ASP A 40 2.060 10.110 3.938 1.00 0.00 O ATOM 603 CB ASP A 40 2.510 12.822 4.714 1.00 0.00 C ATOM 604 CG ASP A 40 2.004 11.997 5.900 1.00 0.00 C ATOM 605 OD1 ASP A 40 0.908 12.300 6.341 1.00 0.00 O ATOM 606 OD2 ASP A 40 2.742 11.110 6.296 1.00 0.00 O ATOM 0 H ASP A 40 0.003 12.368 4.643 1.00 0.00 H new ATOM 0 HA ASP A 40 2.043 13.080 2.640 1.00 0.00 H new ATOM 0 HB2 ASP A 40 3.583 12.679 4.590 1.00 0.00 H new ATOM 0 HB3 ASP A 40 2.350 13.884 4.902 1.00 0.00 H new ATOM 611 N TYR A 41 2.631 10.824 1.923 1.00 0.00 N ATOM 612 CA TYR A 41 3.051 9.460 1.463 1.00 0.00 C ATOM 613 C TYR A 41 4.542 9.440 1.045 1.00 0.00 C ATOM 614 O TYR A 41 5.015 10.306 0.336 1.00 0.00 O ATOM 615 CB TYR A 41 2.122 9.083 0.251 1.00 0.00 C ATOM 616 CG TYR A 41 0.860 8.316 0.768 1.00 0.00 C ATOM 617 CD1 TYR A 41 0.107 8.795 1.827 1.00 0.00 C ATOM 618 CD2 TYR A 41 0.545 7.086 0.249 1.00 0.00 C ATOM 619 CE1 TYR A 41 -0.914 8.043 2.362 1.00 0.00 C ATOM 620 CE2 TYR A 41 -0.481 6.326 0.787 1.00 0.00 C ATOM 621 CZ TYR A 41 -1.210 6.791 1.842 1.00 0.00 C ATOM 622 OH TYR A 41 -2.173 5.991 2.412 1.00 0.00 O ATOM 0 H TYR A 41 2.737 11.564 1.229 1.00 0.00 H new ATOM 0 HA TYR A 41 2.950 8.736 2.271 1.00 0.00 H new ATOM 0 HB2 TYR A 41 1.818 9.985 -0.280 1.00 0.00 H new ATOM 0 HB3 TYR A 41 2.669 8.464 -0.460 1.00 0.00 H new ATOM 0 HD1 TYR A 41 0.324 9.770 2.238 1.00 0.00 H new ATOM 0 HD2 TYR A 41 1.105 6.704 -0.592 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -1.488 8.429 3.191 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -0.706 5.357 0.367 1.00 0.00 H new ATOM 0 HH TYR A 41 -2.241 5.152 1.910 1.00 0.00 H new ATOM 632 N MET A 42 5.234 8.424 1.523 1.00 0.00 N ATOM 633 CA MET A 42 6.695 8.243 1.223 1.00 0.00 C ATOM 634 C MET A 42 7.069 8.389 -0.275 1.00 0.00 C ATOM 635 O MET A 42 6.346 8.962 -1.066 1.00 0.00 O ATOM 636 CB MET A 42 7.138 6.823 1.780 1.00 0.00 C ATOM 637 CG MET A 42 8.063 6.996 2.999 1.00 0.00 C ATOM 638 SD MET A 42 8.464 5.510 3.952 1.00 0.00 S ATOM 639 CE MET A 42 9.520 6.308 5.187 1.00 0.00 C ATOM 0 H MET A 42 4.837 7.699 2.121 1.00 0.00 H new ATOM 0 HA MET A 42 7.233 9.052 1.718 1.00 0.00 H new ATOM 0 HB2 MET A 42 6.258 6.244 2.061 1.00 0.00 H new ATOM 0 HB3 MET A 42 7.653 6.263 1.000 1.00 0.00 H new ATOM 0 HG2 MET A 42 8.998 7.438 2.654 1.00 0.00 H new ATOM 0 HG3 MET A 42 7.600 7.716 3.674 1.00 0.00 H new ATOM 0 HE1 MET A 42 9.885 5.560 5.891 1.00 0.00 H new ATOM 0 HE2 MET A 42 10.366 6.783 4.690 1.00 0.00 H new ATOM 0 HE3 MET A 42 8.945 7.062 5.724 1.00 0.00 H new ATOM 649 N CYS A 43 8.218 7.850 -0.592 1.00 0.00 N ATOM 650 CA CYS A 43 8.754 7.901 -2.000 1.00 0.00 C ATOM 651 C CYS A 43 8.475 9.309 -2.624 1.00 0.00 C ATOM 652 O CYS A 43 7.814 9.431 -3.636 1.00 0.00 O ATOM 653 CB CYS A 43 8.081 6.747 -2.855 1.00 0.00 C ATOM 654 SG CYS A 43 9.178 5.614 -3.819 1.00 0.00 S ATOM 0 H CYS A 43 8.823 7.367 0.072 1.00 0.00 H new ATOM 0 HA CYS A 43 9.833 7.745 -1.996 1.00 0.00 H new ATOM 0 HB2 CYS A 43 7.486 6.135 -2.177 1.00 0.00 H new ATOM 0 HB3 CYS A 43 7.388 7.213 -3.555 1.00 0.00 H new ATOM 659 N PRO A 44 9.015 10.369 -1.972 1.00 0.00 N ATOM 660 CA PRO A 44 8.833 11.753 -2.442 1.00 0.00 C ATOM 661 C PRO A 44 9.910 12.172 -3.465 1.00 0.00 C ATOM 662 O PRO A 44 10.206 13.344 -3.596 1.00 0.00 O ATOM 663 CB PRO A 44 9.027 12.593 -1.151 1.00 0.00 C ATOM 664 CG PRO A 44 9.908 11.724 -0.198 1.00 0.00 C ATOM 665 CD PRO A 44 9.808 10.261 -0.717 1.00 0.00 C ATOM 0 HA PRO A 44 7.871 11.882 -2.938 1.00 0.00 H new ATOM 0 HB2 PRO A 44 9.513 13.543 -1.373 1.00 0.00 H new ATOM 0 HB3 PRO A 44 8.067 12.826 -0.690 1.00 0.00 H new ATOM 0 HG2 PRO A 44 10.942 12.068 -0.204 1.00 0.00 H new ATOM 0 HG3 PRO A 44 9.554 11.796 0.831 1.00 0.00 H new ATOM 0 HD2 PRO A 44 10.795 9.837 -0.905 1.00 0.00 H new ATOM 0 HD3 PRO A 44 9.317 9.614 0.010 1.00 0.00 H new ATOM 673 N ALA A 45 10.467 11.233 -4.167 1.00 0.00 N ATOM 674 CA ALA A 45 11.499 11.594 -5.146 1.00 0.00 C ATOM 675 C ALA A 45 11.633 10.513 -6.092 1.00 0.00 C ATOM 676 O ALA A 45 11.070 10.559 -7.169 1.00 0.00 O ATOM 677 CB ALA A 45 12.835 11.798 -4.414 1.00 0.00 C ATOM 0 H ALA A 45 10.249 10.239 -4.101 1.00 0.00 H new ATOM 0 HA ALA A 45 11.223 12.512 -5.665 1.00 0.00 H new ATOM 0 HB1 ALA A 45 13.607 12.067 -5.135 1.00 0.00 H new ATOM 0 HB2 ALA A 45 12.730 12.597 -3.680 1.00 0.00 H new ATOM 0 HB3 ALA A 45 13.117 10.875 -3.907 1.00 0.00 H new ATOM 683 N THR A 46 12.347 9.514 -5.716 1.00 0.00 N ATOM 684 CA THR A 46 12.498 8.423 -6.641 1.00 0.00 C ATOM 685 C THR A 46 13.116 7.191 -5.978 1.00 0.00 C ATOM 686 O THR A 46 13.839 6.444 -6.604 1.00 0.00 O ATOM 687 CB THR A 46 13.378 8.943 -7.807 1.00 0.00 C ATOM 688 OG1 THR A 46 13.108 8.083 -8.894 1.00 0.00 O ATOM 689 CG2 THR A 46 14.890 8.762 -7.527 1.00 0.00 C ATOM 0 H THR A 46 12.822 9.417 -4.818 1.00 0.00 H new ATOM 0 HA THR A 46 11.523 8.099 -7.006 1.00 0.00 H new ATOM 0 HB THR A 46 13.161 9.999 -7.969 1.00 0.00 H new ATOM 0 HG1 THR A 46 13.264 7.154 -8.623 1.00 0.00 H new ATOM 0 HG21 THR A 46 15.464 9.141 -8.372 1.00 0.00 H new ATOM 0 HG22 THR A 46 15.162 9.313 -6.627 1.00 0.00 H new ATOM 0 HG23 THR A 46 15.110 7.704 -7.384 1.00 0.00 H new ATOM 697 N ASN A 47 12.809 6.993 -4.720 1.00 0.00 N ATOM 698 CA ASN A 47 13.370 5.812 -4.015 1.00 0.00 C ATOM 699 C ASN A 47 12.525 4.612 -4.381 1.00 0.00 C ATOM 700 O ASN A 47 12.232 3.763 -3.563 1.00 0.00 O ATOM 701 CB ASN A 47 13.285 6.053 -2.496 1.00 0.00 C ATOM 702 CG ASN A 47 14.160 5.027 -1.773 1.00 0.00 C ATOM 703 OD1 ASN A 47 15.224 4.666 -2.236 1.00 0.00 O ATOM 704 ND2 ASN A 47 13.750 4.532 -0.638 1.00 0.00 N ATOM 0 H ASN A 47 12.202 7.592 -4.161 1.00 0.00 H new ATOM 0 HA ASN A 47 14.410 5.646 -4.298 1.00 0.00 H new ATOM 0 HB2 ASN A 47 13.616 7.064 -2.257 1.00 0.00 H new ATOM 0 HB3 ASN A 47 12.252 5.968 -2.160 1.00 0.00 H new ATOM 0 HD21 ASN A 47 14.321 3.846 -0.145 1.00 0.00 H new ATOM 0 HD22 ASN A 47 12.858 4.831 -0.244 1.00 0.00 H new ATOM 711 N GLN A 48 12.150 4.589 -5.629 1.00 0.00 N ATOM 712 CA GLN A 48 11.318 3.495 -6.161 1.00 0.00 C ATOM 713 C GLN A 48 11.555 2.153 -5.497 1.00 0.00 C ATOM 714 O GLN A 48 12.503 1.455 -5.795 1.00 0.00 O ATOM 715 CB GLN A 48 11.605 3.344 -7.656 1.00 0.00 C ATOM 716 CG GLN A 48 10.673 2.268 -8.226 1.00 0.00 C ATOM 717 CD GLN A 48 10.634 2.382 -9.752 1.00 0.00 C ATOM 718 OE1 GLN A 48 10.480 3.456 -10.302 1.00 0.00 O ATOM 719 NE2 GLN A 48 10.770 1.302 -10.472 1.00 0.00 N ATOM 0 H GLN A 48 12.396 5.305 -6.313 1.00 0.00 H new ATOM 0 HA GLN A 48 10.283 3.770 -5.958 1.00 0.00 H new ATOM 0 HB2 GLN A 48 11.447 4.292 -8.169 1.00 0.00 H new ATOM 0 HB3 GLN A 48 12.647 3.065 -7.815 1.00 0.00 H new ATOM 0 HG2 GLN A 48 11.022 1.278 -7.934 1.00 0.00 H new ATOM 0 HG3 GLN A 48 9.670 2.386 -7.816 1.00 0.00 H new ATOM 0 HE21 GLN A 48 10.899 0.398 -10.017 1.00 0.00 H new ATOM 0 HE22 GLN A 48 10.747 1.361 -11.490 1.00 0.00 H new ATOM 728 N CYS A 49 10.676 1.829 -4.605 1.00 0.00 N ATOM 729 CA CYS A 49 10.776 0.543 -3.882 1.00 0.00 C ATOM 730 C CYS A 49 10.082 -0.527 -4.742 1.00 0.00 C ATOM 731 O CYS A 49 9.689 -0.256 -5.859 1.00 0.00 O ATOM 732 CB CYS A 49 10.066 0.689 -2.489 1.00 0.00 C ATOM 733 SG CYS A 49 9.866 2.376 -1.813 1.00 0.00 S ATOM 0 H CYS A 49 9.880 2.409 -4.341 1.00 0.00 H new ATOM 0 HA CYS A 49 11.814 0.258 -3.710 1.00 0.00 H new ATOM 0 HB2 CYS A 49 9.076 0.239 -2.568 1.00 0.00 H new ATOM 0 HB3 CYS A 49 10.627 0.100 -1.763 1.00 0.00 H new ATOM 738 N THR A 50 9.943 -1.705 -4.222 1.00 0.00 N ATOM 739 CA THR A 50 9.269 -2.797 -5.030 1.00 0.00 C ATOM 740 C THR A 50 7.764 -2.949 -4.722 1.00 0.00 C ATOM 741 O THR A 50 7.340 -2.821 -3.591 1.00 0.00 O ATOM 742 CB THR A 50 9.956 -4.122 -4.685 1.00 0.00 C ATOM 743 OG1 THR A 50 11.339 -3.877 -4.838 1.00 0.00 O ATOM 744 CG2 THR A 50 9.634 -5.193 -5.737 1.00 0.00 C ATOM 0 H THR A 50 10.254 -1.976 -3.289 1.00 0.00 H new ATOM 0 HA THR A 50 9.359 -2.529 -6.083 1.00 0.00 H new ATOM 0 HB THR A 50 9.644 -4.453 -3.695 1.00 0.00 H new ATOM 0 HG1 THR A 50 11.841 -4.692 -4.629 1.00 0.00 H new ATOM 0 HG21 THR A 50 10.132 -6.125 -5.471 1.00 0.00 H new ATOM 0 HG22 THR A 50 8.557 -5.355 -5.773 1.00 0.00 H new ATOM 0 HG23 THR A 50 9.984 -4.860 -6.714 1.00 0.00 H new ATOM 752 N ILE A 51 6.985 -3.222 -5.772 1.00 0.00 N ATOM 753 CA ILE A 51 5.492 -3.401 -5.604 1.00 0.00 C ATOM 754 C ILE A 51 5.129 -4.821 -5.977 1.00 0.00 C ATOM 755 O ILE A 51 5.219 -5.213 -7.124 1.00 0.00 O ATOM 756 CB ILE A 51 4.732 -2.394 -6.542 1.00 0.00 C ATOM 757 CG1 ILE A 51 4.800 -0.988 -5.950 1.00 0.00 C ATOM 758 CG2 ILE A 51 3.214 -2.798 -6.689 1.00 0.00 C ATOM 759 CD1 ILE A 51 4.117 -0.952 -4.539 1.00 0.00 C ATOM 0 H ILE A 51 7.324 -3.326 -6.729 1.00 0.00 H new ATOM 0 HA ILE A 51 5.207 -3.206 -4.570 1.00 0.00 H new ATOM 0 HB ILE A 51 5.209 -2.420 -7.522 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.840 -0.673 -5.865 1.00 0.00 H new ATOM 0 HG13 ILE A 51 4.306 -0.282 -6.618 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.710 -2.086 -7.343 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.143 -3.798 -7.118 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.739 -2.790 -5.708 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.175 0.058 -4.132 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.072 -1.246 -4.633 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.629 -1.643 -3.869 1.00 0.00 H new ATOM 771 N ASP A 52 4.723 -5.573 -4.994 1.00 0.00 N ATOM 772 CA ASP A 52 4.351 -6.983 -5.267 1.00 0.00 C ATOM 773 C ASP A 52 3.815 -7.677 -4.011 1.00 0.00 C ATOM 774 O ASP A 52 2.645 -7.577 -3.699 1.00 0.00 O ATOM 775 CB ASP A 52 5.613 -7.725 -5.749 1.00 0.00 C ATOM 776 CG ASP A 52 6.808 -7.309 -4.888 1.00 0.00 C ATOM 777 OD1 ASP A 52 6.546 -6.760 -3.830 1.00 0.00 O ATOM 778 OD2 ASP A 52 7.914 -7.565 -5.335 1.00 0.00 O ATOM 0 H ASP A 52 4.634 -5.274 -4.023 1.00 0.00 H new ATOM 0 HA ASP A 52 3.565 -7.000 -6.022 1.00 0.00 H new ATOM 0 HB2 ASP A 52 5.462 -8.802 -5.684 1.00 0.00 H new ATOM 0 HB3 ASP A 52 5.807 -7.493 -6.796 1.00 0.00 H new ATOM 783 N LYS A 53 4.693 -8.375 -3.310 1.00 0.00 N ATOM 784 CA LYS A 53 4.262 -9.095 -2.060 1.00 0.00 C ATOM 785 C LYS A 53 5.199 -8.790 -0.886 1.00 0.00 C ATOM 786 O LYS A 53 6.403 -8.763 -1.038 1.00 0.00 O ATOM 787 CB LYS A 53 4.314 -10.611 -2.349 1.00 0.00 C ATOM 788 CG LYS A 53 5.593 -10.935 -3.155 1.00 0.00 C ATOM 789 CD LYS A 53 5.943 -12.437 -3.006 1.00 0.00 C ATOM 790 CE LYS A 53 6.802 -12.648 -1.749 1.00 0.00 C ATOM 791 NZ LYS A 53 8.217 -12.258 -2.011 1.00 0.00 N ATOM 0 H LYS A 53 5.680 -8.475 -3.549 1.00 0.00 H new ATOM 0 HA LYS A 53 3.259 -8.767 -1.789 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.308 -11.171 -1.414 1.00 0.00 H new ATOM 0 HB3 LYS A 53 3.430 -10.916 -2.909 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.443 -10.690 -4.206 1.00 0.00 H new ATOM 0 HG3 LYS A 53 6.422 -10.322 -2.800 1.00 0.00 H new ATOM 0 HD2 LYS A 53 5.030 -13.028 -2.937 1.00 0.00 H new ATOM 0 HD3 LYS A 53 6.481 -12.784 -3.888 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.402 -12.057 -0.925 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.758 -13.693 -1.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 8.808 -12.532 -1.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 8.557 -12.741 -2.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 8.274 -11.229 -2.148 1.00 0.00 H new ATOM 805 N ASN A 54 4.610 -8.579 0.267 1.00 0.00 N ATOM 806 CA ASN A 54 5.419 -8.273 1.483 1.00 0.00 C ATOM 807 C ASN A 54 4.496 -8.101 2.689 1.00 0.00 C ATOM 808 O ASN A 54 4.323 -9.004 3.485 1.00 0.00 O ATOM 809 CB ASN A 54 6.179 -6.947 1.248 1.00 0.00 C ATOM 810 CG ASN A 54 6.872 -6.516 2.545 1.00 0.00 C ATOM 811 OD1 ASN A 54 7.999 -6.886 2.812 1.00 0.00 O ATOM 812 ND2 ASN A 54 6.236 -5.736 3.374 1.00 0.00 N ATOM 0 H ASN A 54 3.601 -8.606 0.416 1.00 0.00 H new ATOM 0 HA ASN A 54 6.117 -9.089 1.673 1.00 0.00 H new ATOM 0 HB2 ASN A 54 6.916 -7.074 0.455 1.00 0.00 H new ATOM 0 HB3 ASN A 54 5.486 -6.172 0.919 1.00 0.00 H new ATOM 0 HD21 ASN A 54 6.684 -5.440 4.241 1.00 0.00 H new ATOM 0 HD22 ASN A 54 5.290 -5.422 3.155 1.00 0.00 H new ATOM 819 N ARG A 55 3.926 -6.937 2.789 1.00 0.00 N ATOM 820 CA ARG A 55 3.001 -6.637 3.917 1.00 0.00 C ATOM 821 C ARG A 55 2.071 -5.543 3.494 1.00 0.00 C ATOM 822 O ARG A 55 0.885 -5.563 3.750 1.00 0.00 O ATOM 823 CB ARG A 55 3.826 -6.165 5.127 1.00 0.00 C ATOM 824 CG ARG A 55 2.928 -6.132 6.369 1.00 0.00 C ATOM 825 CD ARG A 55 3.612 -5.306 7.466 1.00 0.00 C ATOM 826 NE ARG A 55 5.084 -5.533 7.399 1.00 0.00 N ATOM 827 CZ ARG A 55 5.875 -4.842 8.175 1.00 0.00 C ATOM 828 NH1 ARG A 55 5.457 -3.700 8.646 1.00 0.00 N ATOM 829 NH2 ARG A 55 7.058 -5.318 8.453 1.00 0.00 N ATOM 0 H ARG A 55 4.062 -6.170 2.130 1.00 0.00 H new ATOM 0 HA ARG A 55 2.431 -7.526 4.187 1.00 0.00 H new ATOM 0 HB2 ARG A 55 4.669 -6.836 5.291 1.00 0.00 H new ATOM 0 HB3 ARG A 55 4.239 -5.175 4.936 1.00 0.00 H new ATOM 0 HG2 ARG A 55 1.960 -5.697 6.121 1.00 0.00 H new ATOM 0 HG3 ARG A 55 2.741 -7.145 6.724 1.00 0.00 H new ATOM 0 HD2 ARG A 55 3.388 -4.247 7.335 1.00 0.00 H new ATOM 0 HD3 ARG A 55 3.231 -5.593 8.446 1.00 0.00 H new ATOM 0 HE ARG A 55 5.470 -6.222 6.753 1.00 0.00 H new ATOM 0 HH11 ARG A 55 4.526 -3.360 8.407 1.00 0.00 H new ATOM 0 HH12 ARG A 55 6.061 -3.147 9.254 1.00 0.00 H new ATOM 0 HH21 ARG A 55 7.351 -6.215 8.066 1.00 0.00 H new ATOM 0 HH22 ARG A 55 7.690 -4.793 9.057 1.00 0.00 H new ATOM 843 N ARG A 56 2.653 -4.624 2.839 1.00 0.00 N ATOM 844 CA ARG A 56 1.917 -3.445 2.319 1.00 0.00 C ATOM 845 C ARG A 56 2.625 -2.976 1.067 1.00 0.00 C ATOM 846 O ARG A 56 2.456 -1.858 0.624 1.00 0.00 O ATOM 847 CB ARG A 56 1.930 -2.306 3.365 1.00 0.00 C ATOM 848 CG ARG A 56 1.529 -2.864 4.733 1.00 0.00 C ATOM 849 CD ARG A 56 1.317 -1.704 5.706 1.00 0.00 C ATOM 850 NE ARG A 56 0.757 -2.242 6.983 1.00 0.00 N ATOM 851 CZ ARG A 56 0.076 -1.453 7.770 1.00 0.00 C ATOM 852 NH1 ARG A 56 0.091 -0.168 7.543 1.00 0.00 N ATOM 853 NH2 ARG A 56 -0.598 -1.975 8.759 1.00 0.00 N ATOM 0 H ARG A 56 3.650 -4.624 2.624 1.00 0.00 H new ATOM 0 HA ARG A 56 0.882 -3.713 2.107 1.00 0.00 H new ATOM 0 HB2 ARG A 56 2.923 -1.859 3.419 1.00 0.00 H new ATOM 0 HB3 ARG A 56 1.241 -1.516 3.067 1.00 0.00 H new ATOM 0 HG2 ARG A 56 0.616 -3.453 4.646 1.00 0.00 H new ATOM 0 HG3 ARG A 56 2.304 -3.532 5.108 1.00 0.00 H new ATOM 0 HD2 ARG A 56 2.261 -1.192 5.894 1.00 0.00 H new ATOM 0 HD3 ARG A 56 0.636 -0.970 5.275 1.00 0.00 H new ATOM 0 HE ARG A 56 0.906 -3.218 7.238 1.00 0.00 H new ATOM 0 HH11 ARG A 56 0.629 0.205 6.761 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -0.435 0.463 8.148 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -0.587 -2.984 8.907 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -1.135 -1.374 9.383 1.00 0.00 H new ATOM 867 N LYS A 57 3.441 -3.869 0.542 1.00 0.00 N ATOM 868 CA LYS A 57 4.210 -3.579 -0.680 1.00 0.00 C ATOM 869 C LYS A 57 5.174 -2.432 -0.464 1.00 0.00 C ATOM 870 O LYS A 57 4.849 -1.288 -0.707 1.00 0.00 O ATOM 871 CB LYS A 57 3.247 -3.249 -1.841 1.00 0.00 C ATOM 872 CG LYS A 57 2.318 -4.485 -2.140 1.00 0.00 C ATOM 873 CD LYS A 57 0.872 -4.195 -1.676 1.00 0.00 C ATOM 874 CE LYS A 57 0.113 -5.518 -1.503 1.00 0.00 C ATOM 875 NZ LYS A 57 0.496 -6.177 -0.223 1.00 0.00 N ATOM 0 H LYS A 57 3.597 -4.799 0.930 1.00 0.00 H new ATOM 0 HA LYS A 57 4.792 -4.465 -0.932 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.640 -2.381 -1.585 1.00 0.00 H new ATOM 0 HB3 LYS A 57 3.816 -2.988 -2.733 1.00 0.00 H new ATOM 0 HG2 LYS A 57 2.327 -4.705 -3.207 1.00 0.00 H new ATOM 0 HG3 LYS A 57 2.701 -5.368 -1.629 1.00 0.00 H new ATOM 0 HD2 LYS A 57 0.884 -3.645 -0.735 1.00 0.00 H new ATOM 0 HD3 LYS A 57 0.364 -3.565 -2.406 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -0.961 -5.332 -1.516 1.00 0.00 H new ATOM 0 HE3 LYS A 57 0.332 -6.181 -2.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -0.164 -6.955 -0.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 1.462 -6.554 -0.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 0.457 -5.482 0.550 1.00 0.00 H new ATOM 889 N SER A 58 6.348 -2.797 0.021 1.00 0.00 N ATOM 890 CA SER A 58 7.453 -1.795 0.307 1.00 0.00 C ATOM 891 C SER A 58 7.183 -0.414 -0.292 1.00 0.00 C ATOM 892 O SER A 58 7.258 0.583 0.397 1.00 0.00 O ATOM 893 CB SER A 58 8.751 -2.340 -0.306 1.00 0.00 C ATOM 894 OG SER A 58 8.838 -3.667 0.191 1.00 0.00 O ATOM 0 H SER A 58 6.595 -3.763 0.236 1.00 0.00 H new ATOM 0 HA SER A 58 7.518 -1.672 1.388 1.00 0.00 H new ATOM 0 HB2 SER A 58 8.715 -2.324 -1.395 1.00 0.00 H new ATOM 0 HB3 SER A 58 9.614 -1.745 -0.007 1.00 0.00 H new ATOM 0 HG SER A 58 9.648 -4.094 -0.157 1.00 0.00 H new ATOM 900 N CYS A 59 6.900 -0.381 -1.572 1.00 0.00 N ATOM 901 CA CYS A 59 6.622 0.927 -2.228 1.00 0.00 C ATOM 902 C CYS A 59 5.198 1.371 -1.852 1.00 0.00 C ATOM 903 O CYS A 59 4.370 1.650 -2.693 1.00 0.00 O ATOM 904 CB CYS A 59 6.779 0.729 -3.803 1.00 0.00 C ATOM 905 SG CYS A 59 8.002 1.736 -4.741 1.00 0.00 S ATOM 0 H CYS A 59 6.851 -1.197 -2.182 1.00 0.00 H new ATOM 0 HA CYS A 59 7.316 1.701 -1.900 1.00 0.00 H new ATOM 0 HB2 CYS A 59 7.023 -0.319 -3.975 1.00 0.00 H new ATOM 0 HB3 CYS A 59 5.801 0.907 -4.251 1.00 0.00 H new ATOM 910 N GLN A 60 4.960 1.423 -0.571 1.00 0.00 N ATOM 911 CA GLN A 60 3.629 1.837 -0.079 1.00 0.00 C ATOM 912 C GLN A 60 3.264 3.202 -0.618 1.00 0.00 C ATOM 913 O GLN A 60 2.230 3.374 -1.221 1.00 0.00 O ATOM 914 CB GLN A 60 3.689 1.908 1.462 1.00 0.00 C ATOM 915 CG GLN A 60 3.575 0.494 2.035 1.00 0.00 C ATOM 916 CD GLN A 60 3.976 0.514 3.511 1.00 0.00 C ATOM 917 OE1 GLN A 60 3.360 1.176 4.324 1.00 0.00 O ATOM 918 NE2 GLN A 60 5.000 -0.194 3.898 1.00 0.00 N ATOM 0 H GLN A 60 5.638 1.194 0.156 1.00 0.00 H new ATOM 0 HA GLN A 60 2.879 1.119 -0.411 1.00 0.00 H new ATOM 0 HB2 GLN A 60 4.624 2.368 1.781 1.00 0.00 H new ATOM 0 HB3 GLN A 60 2.881 2.533 1.841 1.00 0.00 H new ATOM 0 HG2 GLN A 60 2.554 0.127 1.928 1.00 0.00 H new ATOM 0 HG3 GLN A 60 4.219 -0.189 1.480 1.00 0.00 H new ATOM 0 HE21 GLN A 60 5.520 -0.751 3.220 1.00 0.00 H new ATOM 0 HE22 GLN A 60 5.281 -0.191 4.879 1.00 0.00 H new ATOM 927 N ALA A 61 4.142 4.145 -0.437 1.00 0.00 N ATOM 928 CA ALA A 61 3.843 5.521 -0.941 1.00 0.00 C ATOM 929 C ALA A 61 4.147 5.609 -2.372 1.00 0.00 C ATOM 930 O ALA A 61 4.726 6.557 -2.865 1.00 0.00 O ATOM 931 CB ALA A 61 4.686 6.491 -0.191 1.00 0.00 C ATOM 0 H ALA A 61 5.042 4.031 0.030 1.00 0.00 H new ATOM 0 HA ALA A 61 2.787 5.747 -0.794 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.481 7.501 -0.546 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.456 6.426 0.873 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.739 6.257 -0.350 1.00 0.00 H new ATOM 937 N CYS A 62 3.745 4.611 -3.001 1.00 0.00 N ATOM 938 CA CYS A 62 3.939 4.477 -4.418 1.00 0.00 C ATOM 939 C CYS A 62 2.892 3.485 -4.887 1.00 0.00 C ATOM 940 O CYS A 62 2.443 3.524 -6.013 1.00 0.00 O ATOM 941 CB CYS A 62 5.387 3.965 -4.555 1.00 0.00 C ATOM 942 SG CYS A 62 6.313 3.838 -2.962 1.00 0.00 S ATOM 0 H CYS A 62 3.257 3.827 -2.569 1.00 0.00 H new ATOM 0 HA CYS A 62 3.824 5.382 -5.014 1.00 0.00 H new ATOM 0 HB2 CYS A 62 5.368 2.983 -5.028 1.00 0.00 H new ATOM 0 HB3 CYS A 62 5.932 4.631 -5.224 1.00 0.00 H new ATOM 947 N ARG A 63 2.519 2.589 -3.977 1.00 0.00 N ATOM 948 CA ARG A 63 1.493 1.588 -4.322 1.00 0.00 C ATOM 949 C ARG A 63 0.269 2.436 -4.585 1.00 0.00 C ATOM 950 O ARG A 63 -0.480 2.221 -5.501 1.00 0.00 O ATOM 951 CB ARG A 63 1.241 0.678 -3.085 1.00 0.00 C ATOM 952 CG ARG A 63 0.537 -0.629 -3.516 1.00 0.00 C ATOM 953 CD ARG A 63 -0.852 -0.330 -4.114 1.00 0.00 C ATOM 954 NE ARG A 63 -0.701 -0.151 -5.603 1.00 0.00 N ATOM 955 CZ ARG A 63 -1.384 -0.905 -6.432 1.00 0.00 C ATOM 956 NH1 ARG A 63 -2.676 -0.993 -6.287 1.00 0.00 N ATOM 957 NH2 ARG A 63 -0.746 -1.548 -7.371 1.00 0.00 N ATOM 0 H ARG A 63 2.890 2.528 -3.029 1.00 0.00 H new ATOM 0 HA ARG A 63 1.763 0.946 -5.160 1.00 0.00 H new ATOM 0 HB2 ARG A 63 2.188 0.446 -2.597 1.00 0.00 H new ATOM 0 HB3 ARG A 63 0.627 1.206 -2.355 1.00 0.00 H new ATOM 0 HG2 ARG A 63 1.149 -1.152 -4.250 1.00 0.00 H new ATOM 0 HG3 ARG A 63 0.433 -1.292 -2.657 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -1.541 -1.146 -3.898 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -1.273 0.570 -3.665 1.00 0.00 H new ATOM 0 HE ARG A 63 -0.066 0.559 -5.968 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -3.141 -0.480 -5.538 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -3.222 -1.575 -6.923 1.00 0.00 H new ATOM 0 HH21 ARG A 63 0.267 -1.460 -7.452 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -1.260 -2.139 -8.024 1.00 0.00 H new ATOM 971 N LEU A 64 0.122 3.430 -3.713 1.00 0.00 N ATOM 972 CA LEU A 64 -1.006 4.367 -3.816 1.00 0.00 C ATOM 973 C LEU A 64 -1.059 4.900 -5.215 1.00 0.00 C ATOM 974 O LEU A 64 -2.080 4.879 -5.870 1.00 0.00 O ATOM 975 CB LEU A 64 -0.722 5.553 -2.877 1.00 0.00 C ATOM 976 CG LEU A 64 -1.869 6.606 -2.953 1.00 0.00 C ATOM 977 CD1 LEU A 64 -3.235 5.966 -2.482 1.00 0.00 C ATOM 978 CD2 LEU A 64 -1.502 7.791 -2.013 1.00 0.00 C ATOM 0 H LEU A 64 0.757 3.611 -2.936 1.00 0.00 H new ATOM 0 HA LEU A 64 -1.940 3.869 -3.557 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.618 5.195 -1.853 1.00 0.00 H new ATOM 0 HB3 LEU A 64 0.225 6.020 -3.149 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.985 6.951 -3.980 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.026 6.713 -2.541 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.483 5.123 -3.127 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.139 5.619 -1.453 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.291 8.542 -2.049 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.395 7.426 -0.992 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.562 8.236 -2.339 1.00 0.00 H new ATOM 990 N ARG A 65 0.068 5.395 -5.651 1.00 0.00 N ATOM 991 CA ARG A 65 0.133 5.941 -7.004 1.00 0.00 C ATOM 992 C ARG A 65 -0.339 4.885 -7.966 1.00 0.00 C ATOM 993 O ARG A 65 -1.176 5.131 -8.812 1.00 0.00 O ATOM 994 CB ARG A 65 1.617 6.314 -7.314 1.00 0.00 C ATOM 995 CG ARG A 65 1.651 7.474 -8.327 1.00 0.00 C ATOM 996 CD ARG A 65 0.796 7.104 -9.561 1.00 0.00 C ATOM 997 NE ARG A 65 1.142 7.993 -10.719 1.00 0.00 N ATOM 998 CZ ARG A 65 1.434 9.254 -10.513 1.00 0.00 C ATOM 999 NH1 ARG A 65 0.741 9.928 -9.636 1.00 0.00 N ATOM 1000 NH2 ARG A 65 2.410 9.794 -11.191 1.00 0.00 N ATOM 0 H ARG A 65 0.936 5.438 -5.118 1.00 0.00 H new ATOM 0 HA ARG A 65 -0.494 6.827 -7.098 1.00 0.00 H new ATOM 0 HB2 ARG A 65 2.130 6.602 -6.397 1.00 0.00 H new ATOM 0 HB3 ARG A 65 2.145 5.449 -7.716 1.00 0.00 H new ATOM 0 HG2 ARG A 65 1.269 8.385 -7.866 1.00 0.00 H new ATOM 0 HG3 ARG A 65 2.678 7.677 -8.630 1.00 0.00 H new ATOM 0 HD2 ARG A 65 0.966 6.062 -9.830 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -0.263 7.203 -9.321 1.00 0.00 H new ATOM 0 HE ARG A 65 1.150 7.616 -11.667 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -0.014 9.472 -9.124 1.00 0.00 H new ATOM 0 HH12 ARG A 65 0.955 10.910 -9.463 1.00 0.00 H new ATOM 0 HH21 ARG A 65 2.931 9.236 -11.868 1.00 0.00 H new ATOM 0 HH22 ARG A 65 2.652 10.774 -11.044 1.00 0.00 H new ATOM 1014 N LYS A 66 0.203 3.713 -7.819 1.00 0.00 N ATOM 1015 CA LYS A 66 -0.208 2.641 -8.710 1.00 0.00 C ATOM 1016 C LYS A 66 -1.702 2.445 -8.564 1.00 0.00 C ATOM 1017 O LYS A 66 -2.379 2.196 -9.523 1.00 0.00 O ATOM 1018 CB LYS A 66 0.543 1.334 -8.320 1.00 0.00 C ATOM 1019 CG LYS A 66 1.823 1.193 -9.163 1.00 0.00 C ATOM 1020 CD LYS A 66 2.813 2.295 -8.779 1.00 0.00 C ATOM 1021 CE LYS A 66 4.001 2.261 -9.746 1.00 0.00 C ATOM 1022 NZ LYS A 66 4.306 0.859 -10.146 1.00 0.00 N ATOM 0 H LYS A 66 0.906 3.468 -7.122 1.00 0.00 H new ATOM 0 HA LYS A 66 0.031 2.890 -9.744 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.796 1.352 -7.260 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -0.104 0.471 -8.479 1.00 0.00 H new ATOM 0 HG2 LYS A 66 2.272 0.213 -9.000 1.00 0.00 H new ATOM 0 HG3 LYS A 66 1.581 1.260 -10.224 1.00 0.00 H new ATOM 0 HD2 LYS A 66 2.325 3.269 -8.817 1.00 0.00 H new ATOM 0 HD3 LYS A 66 3.157 2.151 -7.755 1.00 0.00 H new ATOM 0 HE2 LYS A 66 3.775 2.857 -10.630 1.00 0.00 H new ATOM 0 HE3 LYS A 66 4.875 2.709 -9.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 5.255 0.818 -10.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 4.275 0.244 -9.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 3.602 0.535 -10.840 1.00 0.00 H new ATOM 1036 N CYS A 67 -2.198 2.604 -7.348 1.00 0.00 N ATOM 1037 CA CYS A 67 -3.645 2.428 -7.140 1.00 0.00 C ATOM 1038 C CYS A 67 -4.385 3.496 -7.927 1.00 0.00 C ATOM 1039 O CYS A 67 -5.442 3.265 -8.443 1.00 0.00 O ATOM 1040 CB CYS A 67 -3.949 2.543 -5.630 1.00 0.00 C ATOM 1041 SG CYS A 67 -4.409 1.028 -4.753 1.00 0.00 S ATOM 0 H CYS A 67 -1.658 2.844 -6.517 1.00 0.00 H new ATOM 0 HA CYS A 67 -3.971 1.448 -7.488 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -3.069 2.961 -5.141 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -4.757 3.264 -5.503 1.00 0.00 H new ATOM 0 HG CYS A 67 -5.189 0.311 -5.506 1.00 0.00 H new ATOM 1047 N TYR A 68 -3.840 4.672 -7.973 1.00 0.00 N ATOM 1048 CA TYR A 68 -4.542 5.713 -8.742 1.00 0.00 C ATOM 1049 C TYR A 68 -4.327 5.377 -10.194 1.00 0.00 C ATOM 1050 O TYR A 68 -5.115 5.725 -11.050 1.00 0.00 O ATOM 1051 CB TYR A 68 -3.929 7.111 -8.436 1.00 0.00 C ATOM 1052 CG TYR A 68 -4.232 7.591 -6.969 1.00 0.00 C ATOM 1053 CD1 TYR A 68 -5.494 7.444 -6.387 1.00 0.00 C ATOM 1054 CD2 TYR A 68 -3.241 8.229 -6.222 1.00 0.00 C ATOM 1055 CE1 TYR A 68 -5.738 7.922 -5.107 1.00 0.00 C ATOM 1056 CE2 TYR A 68 -3.507 8.711 -4.959 1.00 0.00 C ATOM 1057 CZ TYR A 68 -4.743 8.555 -4.393 1.00 0.00 C ATOM 1058 OH TYR A 68 -4.962 8.967 -3.107 1.00 0.00 O ATOM 0 H TYR A 68 -2.966 4.949 -7.525 1.00 0.00 H new ATOM 0 HA TYR A 68 -5.601 5.747 -8.486 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -2.850 7.073 -8.587 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -4.324 7.841 -9.143 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -6.285 6.955 -6.937 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -2.252 8.347 -6.640 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -6.716 7.797 -4.666 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -2.729 9.219 -4.408 1.00 0.00 H new ATOM 0 HH TYR A 68 -4.240 9.569 -2.829 1.00 0.00 H new ATOM 1068 N GLU A 69 -3.238 4.689 -10.441 1.00 0.00 N ATOM 1069 CA GLU A 69 -2.919 4.290 -11.827 1.00 0.00 C ATOM 1070 C GLU A 69 -3.751 3.081 -12.191 1.00 0.00 C ATOM 1071 O GLU A 69 -4.033 2.821 -13.344 1.00 0.00 O ATOM 1072 CB GLU A 69 -1.415 3.933 -11.900 1.00 0.00 C ATOM 1073 CG GLU A 69 -0.878 4.246 -13.303 1.00 0.00 C ATOM 1074 CD GLU A 69 0.553 3.718 -13.426 1.00 0.00 C ATOM 1075 OE1 GLU A 69 0.673 2.543 -13.731 1.00 0.00 O ATOM 1076 OE2 GLU A 69 1.447 4.520 -13.207 1.00 0.00 O ATOM 0 H GLU A 69 -2.563 4.392 -9.736 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.139 5.101 -12.521 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -0.860 4.500 -11.153 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.270 2.877 -11.672 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -1.514 3.786 -14.059 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -0.898 5.321 -13.481 1.00 0.00 H new ATOM 1083 N VAL A 70 -4.122 2.372 -11.180 1.00 0.00 N ATOM 1084 CA VAL A 70 -4.952 1.149 -11.393 1.00 0.00 C ATOM 1085 C VAL A 70 -6.256 1.596 -12.006 1.00 0.00 C ATOM 1086 O VAL A 70 -6.995 0.817 -12.575 1.00 0.00 O ATOM 1087 CB VAL A 70 -5.287 0.459 -9.985 1.00 0.00 C ATOM 1088 CG1 VAL A 70 -6.553 -0.433 -10.099 1.00 0.00 C ATOM 1089 CG2 VAL A 70 -4.173 -0.428 -9.463 1.00 0.00 C ATOM 0 H VAL A 70 -3.892 2.578 -10.208 1.00 0.00 H new ATOM 0 HA VAL A 70 -4.418 0.442 -12.027 1.00 0.00 H new ATOM 0 HB VAL A 70 -5.433 1.289 -9.294 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -6.763 -0.892 -9.133 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -7.403 0.178 -10.403 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.383 -1.213 -10.842 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.470 -0.861 -8.508 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -3.979 -1.227 -10.178 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.269 0.165 -9.327 1.00 0.00 H new ATOM 1099 N GLY A 71 -6.504 2.854 -11.872 1.00 0.00 N ATOM 1100 CA GLY A 71 -7.764 3.421 -12.426 1.00 0.00 C ATOM 1101 C GLY A 71 -8.868 3.060 -11.444 1.00 0.00 C ATOM 1102 O GLY A 71 -9.901 2.537 -11.810 1.00 0.00 O ATOM 0 H GLY A 71 -5.893 3.523 -11.403 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.685 4.502 -12.541 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.973 3.010 -13.413 1.00 0.00 H new ATOM 1106 N MET A 72 -8.604 3.361 -10.199 1.00 0.00 N ATOM 1107 CA MET A 72 -9.585 3.060 -9.119 1.00 0.00 C ATOM 1108 C MET A 72 -10.484 4.222 -8.834 1.00 0.00 C ATOM 1109 O MET A 72 -10.596 5.153 -9.604 1.00 0.00 O ATOM 1110 CB MET A 72 -8.763 2.836 -7.828 1.00 0.00 C ATOM 1111 CG MET A 72 -7.807 1.718 -8.080 1.00 0.00 C ATOM 1112 SD MET A 72 -6.593 1.340 -6.811 1.00 0.00 S ATOM 1113 CE MET A 72 -7.650 0.264 -5.838 1.00 0.00 C ATOM 0 H MET A 72 -7.742 3.806 -9.884 1.00 0.00 H new ATOM 0 HA MET A 72 -10.189 2.206 -9.426 1.00 0.00 H new ATOM 0 HB2 MET A 72 -8.225 3.744 -7.556 1.00 0.00 H new ATOM 0 HB3 MET A 72 -9.421 2.594 -6.994 1.00 0.00 H new ATOM 0 HG2 MET A 72 -8.390 0.815 -8.263 1.00 0.00 H new ATOM 0 HG3 MET A 72 -7.268 1.941 -9.001 1.00 0.00 H new ATOM 0 HE1 MET A 72 -7.043 -0.294 -5.125 1.00 0.00 H new ATOM 0 HE2 MET A 72 -8.383 0.864 -5.299 1.00 0.00 H new ATOM 0 HE3 MET A 72 -8.166 -0.433 -6.498 1.00 0.00 H new ATOM 1123 N MET A 73 -11.092 4.128 -7.700 1.00 0.00 N ATOM 1124 CA MET A 73 -11.998 5.155 -7.240 1.00 0.00 C ATOM 1125 C MET A 73 -12.624 4.705 -5.960 1.00 0.00 C ATOM 1126 O MET A 73 -13.302 3.700 -5.916 1.00 0.00 O ATOM 1127 CB MET A 73 -13.102 5.448 -8.271 1.00 0.00 C ATOM 1128 CG MET A 73 -13.742 4.138 -8.771 1.00 0.00 C ATOM 1129 SD MET A 73 -14.740 4.228 -10.279 1.00 0.00 S ATOM 1130 CE MET A 73 -16.047 5.295 -9.624 1.00 0.00 C ATOM 0 H MET A 73 -10.983 3.343 -7.058 1.00 0.00 H new ATOM 0 HA MET A 73 -11.429 6.073 -7.093 1.00 0.00 H new ATOM 0 HB2 MET A 73 -13.866 6.084 -7.823 1.00 0.00 H new ATOM 0 HB3 MET A 73 -12.683 5.999 -9.113 1.00 0.00 H new ATOM 0 HG2 MET A 73 -12.944 3.414 -8.937 1.00 0.00 H new ATOM 0 HG3 MET A 73 -14.371 3.743 -7.973 1.00 0.00 H new ATOM 0 HE1 MET A 73 -16.822 5.426 -10.379 1.00 0.00 H new ATOM 0 HE2 MET A 73 -16.480 4.836 -8.735 1.00 0.00 H new ATOM 0 HE3 MET A 73 -15.627 6.266 -9.363 1.00 0.00 H new ATOM 1140 N LYS A 74 -12.338 5.448 -4.938 1.00 0.00 N ATOM 1141 CA LYS A 74 -12.872 5.150 -3.580 1.00 0.00 C ATOM 1142 C LYS A 74 -14.170 4.332 -3.633 1.00 0.00 C ATOM 1143 O LYS A 74 -14.374 3.421 -2.856 1.00 0.00 O ATOM 1144 CB LYS A 74 -13.168 6.495 -2.853 1.00 0.00 C ATOM 1145 CG LYS A 74 -13.547 7.561 -3.888 1.00 0.00 C ATOM 1146 CD LYS A 74 -14.201 8.749 -3.176 1.00 0.00 C ATOM 1147 CE LYS A 74 -14.660 9.771 -4.219 1.00 0.00 C ATOM 1148 NZ LYS A 74 -15.598 10.753 -3.609 1.00 0.00 N ATOM 0 H LYS A 74 -11.740 6.273 -4.984 1.00 0.00 H new ATOM 0 HA LYS A 74 -12.123 4.562 -3.049 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -13.979 6.363 -2.137 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -12.293 6.816 -2.288 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -12.660 7.890 -4.429 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -14.232 7.142 -4.624 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -15.051 8.410 -2.583 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -13.494 9.209 -2.486 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -13.796 10.292 -4.631 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -15.149 9.259 -5.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -15.900 11.439 -4.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -16.431 10.253 -3.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -15.120 11.254 -2.833 1.00 0.00 H new ATOM 1162 N GLY A 75 -15.009 4.691 -4.555 1.00 0.00 N ATOM 1163 CA GLY A 75 -16.304 3.964 -4.697 1.00 0.00 C ATOM 1164 C GLY A 75 -17.015 3.873 -3.345 1.00 0.00 C ATOM 1165 O GLY A 75 -17.712 2.887 -3.165 1.00 0.00 O ATOM 1166 OXT GLY A 75 -16.822 4.794 -2.569 1.00 0.00 O ATOM 0 H GLY A 75 -14.860 5.453 -5.217 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -16.941 4.479 -5.416 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -16.125 2.963 -5.089 1.00 0.00 H new TER 1170 GLY A 75 HETATM 1171 ZN ZN A 98 -3.548 -5.256 -4.563 1.00 0.00 ZN HETATM 1172 ZN ZN A 99 8.528 3.460 -3.331 1.00 0.00 ZN