USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 532 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 4 MET CE :methyl -165:sc= -0.0525 (180deg=-0.432) USER MOD Set 1.2: A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -150:sc= -0.389 (180deg=-2.44!) USER MOD Single : A 1 MET N :NH3+ -166:sc= -0.0431 (180deg=-0.327) USER MOD Single : A 2 LYS NZ :NH3+ -112:sc= -0.998 (180deg=-3.3!) USER MOD Single : A 7 LYS NZ :NH3+ 168:sc= 1.12 (180deg=1.08) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HE2:sc= -0.185 K(o=-0.18,f=-1.3) USER MOD Single : A 13 SER OG : rot 180:sc= -0.468 USER MOD Single : A 15 TYR OH : rot 5:sc= 1.04 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl -134:sc= -0.507 (180deg=-3.63!) USER MOD Single : A 30 ASN : amide:sc= -0.315 K(o=-0.32,f=-5!) USER MOD Single : A 37 LYS NZ :NH3+ 165:sc= 0.624 (180deg=-0.282) USER MOD Single : A 39 THR OG1 : rot 105:sc= 1.09 USER MOD Single : A 42 ASN :FLIP amide:sc= -0.883 F(o=-1.8!,f=-0.88) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 MET CE :methyl -164:sc= -0.11 (180deg=-0.526) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -172:sc= -0.197 (180deg=-0.694!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.605 1.215 -1.098 1.00 0.00 N ATOM 2 CA MET A 1 2.559 0.427 -0.404 1.00 0.00 C ATOM 3 C MET A 1 2.426 -0.947 -1.057 1.00 0.00 C ATOM 4 O MET A 1 1.991 -1.050 -2.204 1.00 0.00 O ATOM 5 CB MET A 1 1.216 1.167 -0.464 1.00 0.00 C ATOM 6 CG MET A 1 1.261 2.579 0.107 1.00 0.00 C ATOM 7 SD MET A 1 1.666 2.610 1.863 1.00 0.00 S ATOM 8 CE MET A 1 0.223 1.806 2.551 1.00 0.00 C ATOM 0 H1 MET A 1 3.859 2.040 -0.519 1.00 0.00 H new ATOM 0 H2 MET A 1 4.447 0.622 -1.244 1.00 0.00 H new ATOM 0 H3 MET A 1 3.244 1.536 -2.019 1.00 0.00 H new ATOM 0 HA MET A 1 2.845 0.300 0.640 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.886 1.216 -1.502 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.470 0.589 0.081 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.999 3.164 -0.442 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.295 3.059 -0.047 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.036 2.190 3.554 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.642 2.007 1.919 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.394 0.731 2.600 1.00 0.00 H new ATOM 18 N LYS A 2 2.795 -1.999 -0.326 1.00 0.00 N ATOM 19 CA LYS A 2 2.833 -3.352 -0.879 1.00 0.00 C ATOM 20 C LYS A 2 1.775 -4.245 -0.225 1.00 0.00 C ATOM 21 O LYS A 2 1.578 -4.198 0.994 1.00 0.00 O ATOM 22 CB LYS A 2 4.231 -3.957 -0.666 1.00 0.00 C ATOM 23 CG LYS A 2 4.421 -5.325 -1.314 1.00 0.00 C ATOM 24 CD LYS A 2 5.751 -5.989 -0.935 1.00 0.00 C ATOM 25 CE LYS A 2 6.976 -5.198 -1.399 1.00 0.00 C ATOM 26 NZ LYS A 2 7.251 -4.009 -0.544 1.00 0.00 N ATOM 0 H LYS A 2 3.073 -1.939 0.654 1.00 0.00 H new ATOM 0 HA LYS A 2 2.616 -3.294 -1.946 1.00 0.00 H new ATOM 0 HB2 LYS A 2 4.977 -3.270 -1.066 1.00 0.00 H new ATOM 0 HB3 LYS A 2 4.419 -4.044 0.404 1.00 0.00 H new ATOM 0 HG2 LYS A 2 3.599 -5.977 -1.020 1.00 0.00 H new ATOM 0 HG3 LYS A 2 4.371 -5.218 -2.398 1.00 0.00 H new ATOM 0 HD2 LYS A 2 5.794 -6.109 0.147 1.00 0.00 H new ATOM 0 HD3 LYS A 2 5.787 -6.988 -1.369 1.00 0.00 H new ATOM 0 HE2 LYS A 2 7.848 -5.852 -1.396 1.00 0.00 H new ATOM 0 HE3 LYS A 2 6.825 -4.873 -2.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 7.075 -3.141 -1.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 6.627 -4.028 0.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 8.243 -4.027 -0.233 1.00 0.00 H new ATOM 40 N VAL A 3 1.099 -5.052 -1.042 1.00 0.00 N ATOM 41 CA VAL A 3 0.136 -6.032 -0.546 1.00 0.00 C ATOM 42 C VAL A 3 0.153 -7.287 -1.426 1.00 0.00 C ATOM 43 O VAL A 3 0.251 -7.197 -2.651 1.00 0.00 O ATOM 44 CB VAL A 3 -1.300 -5.442 -0.484 1.00 0.00 C ATOM 45 CG1 VAL A 3 -1.821 -5.089 -1.878 1.00 0.00 C ATOM 46 CG2 VAL A 3 -2.253 -6.401 0.227 1.00 0.00 C ATOM 0 H VAL A 3 1.202 -5.045 -2.057 1.00 0.00 H new ATOM 0 HA VAL A 3 0.431 -6.301 0.468 1.00 0.00 H new ATOM 0 HB VAL A 3 -1.252 -4.519 0.093 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -2.828 -4.679 -1.797 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -1.164 -4.350 -2.336 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -1.843 -5.987 -2.496 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -3.252 -5.965 0.258 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -2.286 -7.347 -0.313 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -1.902 -6.575 1.244 1.00 0.00 H new ATOM 56 N MET A 4 0.081 -8.455 -0.793 1.00 0.00 N ATOM 57 CA MET A 4 0.096 -9.733 -1.503 1.00 0.00 C ATOM 58 C MET A 4 -1.266 -10.413 -1.398 1.00 0.00 C ATOM 59 O MET A 4 -1.695 -10.792 -0.307 1.00 0.00 O ATOM 60 CB MET A 4 1.180 -10.655 -0.924 1.00 0.00 C ATOM 61 CG MET A 4 1.245 -12.026 -1.590 1.00 0.00 C ATOM 62 SD MET A 4 2.416 -13.140 -0.783 1.00 0.00 S ATOM 63 CE MET A 4 3.954 -12.238 -0.981 1.00 0.00 C ATOM 0 H MET A 4 0.011 -8.544 0.221 1.00 0.00 H new ATOM 0 HA MET A 4 0.318 -9.540 -2.552 1.00 0.00 H new ATOM 0 HB2 MET A 4 2.150 -10.167 -1.024 1.00 0.00 H new ATOM 0 HB3 MET A 4 0.998 -10.788 0.142 1.00 0.00 H new ATOM 0 HG2 MET A 4 0.253 -12.478 -1.579 1.00 0.00 H new ATOM 0 HG3 MET A 4 1.528 -11.904 -2.636 1.00 0.00 H new ATOM 0 HE1 MET A 4 4.794 -12.902 -0.779 1.00 0.00 H new ATOM 0 HE2 MET A 4 4.026 -11.862 -2.001 1.00 0.00 H new ATOM 0 HE3 MET A 4 3.977 -11.401 -0.283 1.00 0.00 H new ATOM 73 N ILE A 5 -1.943 -10.562 -2.528 1.00 0.00 N ATOM 74 CA ILE A 5 -3.255 -11.199 -2.560 1.00 0.00 C ATOM 75 C ILE A 5 -3.100 -12.715 -2.683 1.00 0.00 C ATOM 76 O ILE A 5 -2.618 -13.218 -3.697 1.00 0.00 O ATOM 77 CB ILE A 5 -4.113 -10.662 -3.735 1.00 0.00 C ATOM 78 CG1 ILE A 5 -4.228 -9.127 -3.657 1.00 0.00 C ATOM 79 CG2 ILE A 5 -5.499 -11.311 -3.738 1.00 0.00 C ATOM 80 CD1 ILE A 5 -4.872 -8.616 -2.382 1.00 0.00 C ATOM 0 H ILE A 5 -1.605 -10.250 -3.438 1.00 0.00 H new ATOM 0 HA ILE A 5 -3.766 -10.961 -1.627 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.618 -10.924 -4.670 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -3.232 -8.694 -3.746 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -4.807 -8.773 -4.510 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -6.083 -10.919 -4.571 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -5.395 -12.391 -3.845 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -6.008 -11.086 -2.801 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -4.915 -7.527 -2.407 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -5.882 -9.017 -2.299 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -4.283 -8.936 -1.523 1.00 0.00 H new ATOM 92 N ARG A 6 -3.498 -13.432 -1.638 1.00 0.00 N ATOM 93 CA ARG A 6 -3.361 -14.885 -1.594 1.00 0.00 C ATOM 94 C ARG A 6 -4.717 -15.550 -1.811 1.00 0.00 C ATOM 95 O ARG A 6 -5.735 -15.089 -1.293 1.00 0.00 O ATOM 96 CB ARG A 6 -2.776 -15.324 -0.246 1.00 0.00 C ATOM 97 CG ARG A 6 -1.432 -14.680 0.088 1.00 0.00 C ATOM 98 CD ARG A 6 -0.860 -15.219 1.393 1.00 0.00 C ATOM 99 NE ARG A 6 -0.574 -16.654 1.309 1.00 0.00 N ATOM 100 CZ ARG A 6 -0.341 -17.439 2.361 1.00 0.00 C ATOM 101 NH1 ARG A 6 -0.394 -16.949 3.593 1.00 0.00 N ATOM 102 NH2 ARG A 6 -0.059 -18.721 2.178 1.00 0.00 N ATOM 0 H ARG A 6 -3.922 -13.027 -0.803 1.00 0.00 H new ATOM 0 HA ARG A 6 -2.683 -15.193 -2.390 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -3.488 -15.083 0.543 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -2.657 -16.408 -0.249 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -0.728 -14.866 -0.723 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -1.554 -13.599 0.163 1.00 0.00 H new ATOM 0 HD2 ARG A 6 0.055 -14.680 1.639 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -1.566 -15.036 2.203 1.00 0.00 H new ATOM 0 HE ARG A 6 -0.552 -17.081 0.383 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -0.614 -15.964 3.741 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -0.214 -17.557 4.392 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -0.021 -19.105 1.234 1.00 0.00 H new ATOM 0 HH22 ARG A 6 0.120 -19.324 2.981 1.00 0.00 H new ATOM 116 N LYS A 7 -4.733 -16.629 -2.585 1.00 0.00 N ATOM 117 CA LYS A 7 -5.962 -17.374 -2.831 1.00 0.00 C ATOM 118 C LYS A 7 -5.691 -18.871 -2.785 1.00 0.00 C ATOM 119 O LYS A 7 -4.701 -19.342 -3.339 1.00 0.00 O ATOM 120 CB LYS A 7 -6.568 -17.018 -4.194 1.00 0.00 C ATOM 121 CG LYS A 7 -6.881 -15.538 -4.398 1.00 0.00 C ATOM 122 CD LYS A 7 -7.780 -15.343 -5.614 1.00 0.00 C ATOM 123 CE LYS A 7 -7.183 -15.981 -6.862 1.00 0.00 C ATOM 124 NZ LYS A 7 -8.152 -16.026 -7.988 1.00 0.00 N ATOM 0 H LYS A 7 -3.909 -17.007 -3.053 1.00 0.00 H new ATOM 0 HA LYS A 7 -6.671 -17.102 -2.049 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -5.879 -17.338 -4.975 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -7.487 -17.589 -4.326 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -7.370 -15.138 -3.510 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -5.954 -14.980 -4.531 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -8.760 -15.777 -5.416 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -7.933 -14.278 -5.787 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -6.300 -15.420 -7.167 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -6.853 -16.993 -6.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -7.653 -16.275 -8.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -8.882 -16.740 -7.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -8.600 -15.094 -8.098 1.00 0.00 H new ATOM 138 N THR A 8 -6.568 -19.602 -2.115 1.00 0.00 N ATOM 139 CA THR A 8 -6.500 -21.060 -2.080 1.00 0.00 C ATOM 140 C THR A 8 -7.648 -21.646 -2.905 1.00 0.00 C ATOM 141 O THR A 8 -7.438 -22.441 -3.821 1.00 0.00 O ATOM 142 CB THR A 8 -6.573 -21.575 -0.624 1.00 0.00 C ATOM 143 OG1 THR A 8 -5.563 -20.929 0.164 1.00 0.00 O ATOM 144 CG2 THR A 8 -6.390 -23.089 -0.550 1.00 0.00 C ATOM 0 H THR A 8 -7.343 -19.208 -1.582 1.00 0.00 H new ATOM 0 HA THR A 8 -5.549 -21.378 -2.507 1.00 0.00 H new ATOM 0 HB THR A 8 -7.563 -21.338 -0.233 1.00 0.00 H new ATOM 0 HG1 THR A 8 -5.611 -21.254 1.087 1.00 0.00 H new ATOM 0 HG21 THR A 8 -6.448 -23.412 0.489 1.00 0.00 H new ATOM 0 HG22 THR A 8 -7.175 -23.579 -1.126 1.00 0.00 H new ATOM 0 HG23 THR A 8 -5.417 -23.358 -0.960 1.00 0.00 H new ATOM 152 N ALA A 9 -8.858 -21.213 -2.573 1.00 0.00 N ATOM 153 CA ALA A 9 -10.066 -21.593 -3.294 1.00 0.00 C ATOM 154 C ALA A 9 -11.223 -20.738 -2.788 1.00 0.00 C ATOM 155 O ALA A 9 -11.439 -19.635 -3.285 1.00 0.00 O ATOM 156 CB ALA A 9 -10.357 -23.084 -3.146 1.00 0.00 C ATOM 0 H ALA A 9 -9.030 -20.583 -1.789 1.00 0.00 H new ATOM 0 HA ALA A 9 -9.927 -21.414 -4.360 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -11.264 -23.334 -3.696 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -9.521 -23.659 -3.545 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -10.493 -23.325 -2.092 1.00 0.00 H new ATOM 162 N THR A 10 -11.940 -21.217 -1.770 1.00 0.00 N ATOM 163 CA THR A 10 -12.893 -20.371 -1.058 1.00 0.00 C ATOM 164 C THR A 10 -12.120 -19.447 -0.119 1.00 0.00 C ATOM 165 O THR A 10 -12.553 -18.334 0.191 1.00 0.00 O ATOM 166 CB THR A 10 -13.922 -21.200 -0.248 1.00 0.00 C ATOM 167 OG1 THR A 10 -14.932 -20.337 0.300 1.00 0.00 O ATOM 168 CG2 THR A 10 -13.248 -21.969 0.884 1.00 0.00 C ATOM 0 H THR A 10 -11.879 -22.175 -1.425 1.00 0.00 H new ATOM 0 HA THR A 10 -13.454 -19.794 -1.794 1.00 0.00 H new ATOM 0 HB THR A 10 -14.379 -21.917 -0.930 1.00 0.00 H new ATOM 0 HG1 THR A 10 -15.578 -20.871 0.808 1.00 0.00 H new ATOM 0 HG21 THR A 10 -13.997 -22.540 1.432 1.00 0.00 H new ATOM 0 HG22 THR A 10 -12.505 -22.650 0.469 1.00 0.00 H new ATOM 0 HG23 THR A 10 -12.760 -21.267 1.560 1.00 0.00 H new ATOM 176 N GLY A 11 -10.956 -19.933 0.317 1.00 0.00 N ATOM 177 CA GLY A 11 -10.073 -19.154 1.156 1.00 0.00 C ATOM 178 C GLY A 11 -9.403 -18.037 0.383 1.00 0.00 C ATOM 179 O GLY A 11 -8.428 -18.267 -0.337 1.00 0.00 O ATOM 0 H GLY A 11 -10.611 -20.867 0.096 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -10.639 -18.732 1.987 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -9.312 -19.805 1.587 1.00 0.00 H new ATOM 183 N HIS A 12 -9.959 -16.839 0.495 1.00 0.00 N ATOM 184 CA HIS A 12 -9.379 -15.649 -0.113 1.00 0.00 C ATOM 185 C HIS A 12 -8.784 -14.784 0.992 1.00 0.00 C ATOM 186 O HIS A 12 -9.494 -14.402 1.922 1.00 0.00 O ATOM 187 CB HIS A 12 -10.455 -14.857 -0.878 1.00 0.00 C ATOM 188 CG HIS A 12 -11.120 -15.627 -1.986 1.00 0.00 C ATOM 189 ND1 HIS A 12 -12.253 -16.398 -1.802 1.00 0.00 N ATOM 190 CD2 HIS A 12 -10.815 -15.726 -3.303 1.00 0.00 C ATOM 191 CE1 HIS A 12 -12.610 -16.933 -2.955 1.00 0.00 C ATOM 192 NE2 HIS A 12 -11.755 -16.540 -3.879 1.00 0.00 N ATOM 0 H HIS A 12 -10.823 -16.664 1.009 1.00 0.00 H new ATOM 0 HA HIS A 12 -8.603 -15.940 -0.821 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -11.217 -14.527 -0.172 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -10.000 -13.960 -1.297 1.00 0.00 H new ATOM 0 HD1 HIS A 12 -12.737 -16.532 -0.914 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -9.985 -15.251 -3.805 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -13.458 -17.582 -3.114 1.00 0.00 H new ATOM 201 N SER A 13 -7.493 -14.497 0.912 1.00 0.00 N ATOM 202 CA SER A 13 -6.822 -13.705 1.935 1.00 0.00 C ATOM 203 C SER A 13 -5.919 -12.650 1.300 1.00 0.00 C ATOM 204 O SER A 13 -5.563 -12.746 0.124 1.00 0.00 O ATOM 205 CB SER A 13 -6.016 -14.625 2.863 1.00 0.00 C ATOM 206 OG SER A 13 -5.170 -15.491 2.124 1.00 0.00 O ATOM 0 H SER A 13 -6.888 -14.801 0.149 1.00 0.00 H new ATOM 0 HA SER A 13 -7.577 -13.185 2.526 1.00 0.00 H new ATOM 0 HB2 SER A 13 -5.416 -14.022 3.545 1.00 0.00 H new ATOM 0 HB3 SER A 13 -6.698 -15.215 3.475 1.00 0.00 H new ATOM 0 HG SER A 13 -4.668 -16.063 2.741 1.00 0.00 H new ATOM 212 N ALA A 14 -5.567 -11.637 2.080 1.00 0.00 N ATOM 213 CA ALA A 14 -4.691 -10.575 1.610 1.00 0.00 C ATOM 214 C ALA A 14 -3.664 -10.223 2.677 1.00 0.00 C ATOM 215 O ALA A 14 -4.021 -9.826 3.790 1.00 0.00 O ATOM 216 CB ALA A 14 -5.499 -9.344 1.218 1.00 0.00 C ATOM 0 H ALA A 14 -5.877 -11.529 3.046 1.00 0.00 H new ATOM 0 HA ALA A 14 -4.163 -10.931 0.726 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.825 -8.562 0.869 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -6.195 -9.604 0.421 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -6.056 -8.984 2.083 1.00 0.00 H new ATOM 222 N TYR A 15 -2.395 -10.399 2.340 1.00 0.00 N ATOM 223 CA TYR A 15 -1.300 -10.039 3.227 1.00 0.00 C ATOM 224 C TYR A 15 -0.875 -8.595 2.973 1.00 0.00 C ATOM 225 O TYR A 15 -0.191 -8.298 1.992 1.00 0.00 O ATOM 226 CB TYR A 15 -0.116 -11.002 3.022 1.00 0.00 C ATOM 227 CG TYR A 15 1.177 -10.551 3.687 1.00 0.00 C ATOM 228 CD1 TYR A 15 1.252 -10.359 5.064 1.00 0.00 C ATOM 229 CD2 TYR A 15 2.322 -10.309 2.932 1.00 0.00 C ATOM 230 CE1 TYR A 15 2.424 -9.934 5.663 1.00 0.00 C ATOM 231 CE2 TYR A 15 3.494 -9.882 3.526 1.00 0.00 C ATOM 232 CZ TYR A 15 3.543 -9.701 4.890 1.00 0.00 C ATOM 233 OH TYR A 15 4.711 -9.267 5.480 1.00 0.00 O ATOM 0 H TYR A 15 -2.097 -10.794 1.448 1.00 0.00 H new ATOM 0 HA TYR A 15 -1.635 -10.122 4.261 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -0.389 -11.983 3.411 1.00 0.00 H new ATOM 0 HB3 TYR A 15 0.060 -11.121 1.953 1.00 0.00 H new ATOM 0 HD1 TYR A 15 0.381 -10.545 5.674 1.00 0.00 H new ATOM 0 HD2 TYR A 15 2.293 -10.458 1.863 1.00 0.00 H new ATOM 0 HE1 TYR A 15 2.463 -9.785 6.732 1.00 0.00 H new ATOM 0 HE2 TYR A 15 4.369 -9.691 2.922 1.00 0.00 H new ATOM 0 HH TYR A 15 4.601 -9.257 6.454 1.00 0.00 H new ATOM 243 N VAL A 16 -1.300 -7.701 3.851 1.00 0.00 N ATOM 244 CA VAL A 16 -0.910 -6.301 3.777 1.00 0.00 C ATOM 245 C VAL A 16 0.513 -6.139 4.303 1.00 0.00 C ATOM 246 O VAL A 16 0.722 -5.953 5.504 1.00 0.00 O ATOM 247 CB VAL A 16 -1.882 -5.395 4.581 1.00 0.00 C ATOM 248 CG1 VAL A 16 -1.499 -3.922 4.446 1.00 0.00 C ATOM 249 CG2 VAL A 16 -3.328 -5.624 4.134 1.00 0.00 C ATOM 0 H VAL A 16 -1.920 -7.922 4.630 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.954 -5.990 2.733 1.00 0.00 H new ATOM 0 HB VAL A 16 -1.802 -5.666 5.634 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -2.196 -3.311 5.019 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.488 -3.773 4.826 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -1.539 -3.630 3.396 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.993 -4.980 4.709 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.423 -5.389 3.074 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -3.599 -6.667 4.300 1.00 0.00 H new ATOM 259 N ALA A 17 1.487 -6.240 3.397 1.00 0.00 N ATOM 260 CA ALA A 17 2.905 -6.164 3.755 1.00 0.00 C ATOM 261 C ALA A 17 3.211 -4.883 4.530 1.00 0.00 C ATOM 262 O ALA A 17 4.098 -4.862 5.387 1.00 0.00 O ATOM 263 CB ALA A 17 3.771 -6.252 2.503 1.00 0.00 C ATOM 0 H ALA A 17 1.317 -6.376 2.400 1.00 0.00 H new ATOM 0 HA ALA A 17 3.137 -7.009 4.403 1.00 0.00 H new ATOM 0 HB1 ALA A 17 4.823 -6.194 2.783 1.00 0.00 H new ATOM 0 HB2 ALA A 17 3.582 -7.198 1.996 1.00 0.00 H new ATOM 0 HB3 ALA A 17 3.528 -5.427 1.834 1.00 0.00 H new ATOM 269 N LYS A 18 2.467 -3.826 4.219 1.00 0.00 N ATOM 270 CA LYS A 18 2.582 -2.551 4.922 1.00 0.00 C ATOM 271 C LYS A 18 2.449 -2.741 6.435 1.00 0.00 C ATOM 272 O LYS A 18 3.329 -2.345 7.202 1.00 0.00 O ATOM 273 CB LYS A 18 1.510 -1.575 4.405 1.00 0.00 C ATOM 274 CG LYS A 18 1.355 -0.303 5.236 1.00 0.00 C ATOM 275 CD LYS A 18 2.666 0.473 5.362 1.00 0.00 C ATOM 276 CE LYS A 18 2.492 1.728 6.207 1.00 0.00 C ATOM 277 NZ LYS A 18 3.792 2.374 6.517 1.00 0.00 N ATOM 0 H LYS A 18 1.769 -3.828 3.475 1.00 0.00 H new ATOM 0 HA LYS A 18 3.570 -2.135 4.726 1.00 0.00 H new ATOM 0 HB2 LYS A 18 1.755 -1.296 3.380 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.551 -2.092 4.374 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.600 0.337 4.779 1.00 0.00 H new ATOM 0 HG3 LYS A 18 0.993 -0.564 6.231 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.427 -0.166 5.810 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.024 0.748 4.370 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.853 2.435 5.679 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.984 1.472 7.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 3.629 3.224 7.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 4.393 1.709 7.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 4.266 2.642 5.631 1.00 0.00 H new ATOM 291 N LYS A 19 1.356 -3.367 6.850 1.00 0.00 N ATOM 292 CA LYS A 19 1.053 -3.547 8.268 1.00 0.00 C ATOM 293 C LYS A 19 1.556 -4.922 8.733 1.00 0.00 C ATOM 294 O LYS A 19 1.506 -5.250 9.918 1.00 0.00 O ATOM 295 CB LYS A 19 -0.475 -3.400 8.477 1.00 0.00 C ATOM 296 CG LYS A 19 -0.902 -2.820 9.833 1.00 0.00 C ATOM 297 CD LYS A 19 -0.745 -3.818 10.977 1.00 0.00 C ATOM 298 CE LYS A 19 -1.159 -3.227 12.320 1.00 0.00 C ATOM 299 NZ LYS A 19 -0.979 -4.205 13.427 1.00 0.00 N ATOM 0 H LYS A 19 0.658 -3.763 6.221 1.00 0.00 H new ATOM 0 HA LYS A 19 1.559 -2.788 8.865 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -0.873 -2.763 7.687 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.937 -4.380 8.359 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -0.307 -1.932 10.047 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -1.943 -2.501 9.775 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -1.348 -4.702 10.770 1.00 0.00 H new ATOM 0 HD3 LYS A 19 0.293 -4.145 11.031 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -0.568 -2.334 12.523 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -2.203 -2.915 12.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -1.270 -3.770 14.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -1.562 -5.047 13.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 0.021 -4.483 13.485 1.00 0.00 H new ATOM 313 N ASP A 20 2.059 -5.716 7.779 1.00 0.00 N ATOM 314 CA ASP A 20 2.469 -7.104 8.042 1.00 0.00 C ATOM 315 C ASP A 20 1.258 -7.897 8.542 1.00 0.00 C ATOM 316 O ASP A 20 1.377 -8.897 9.251 1.00 0.00 O ATOM 317 CB ASP A 20 3.634 -7.145 9.053 1.00 0.00 C ATOM 318 CG ASP A 20 4.209 -8.542 9.253 1.00 0.00 C ATOM 319 OD1 ASP A 20 4.727 -9.126 8.279 1.00 0.00 O ATOM 320 OD2 ASP A 20 4.154 -9.059 10.393 1.00 0.00 O ATOM 0 H ASP A 20 2.193 -5.420 6.812 1.00 0.00 H new ATOM 0 HA ASP A 20 2.830 -7.562 7.121 1.00 0.00 H new ATOM 0 HB2 ASP A 20 4.426 -6.479 8.711 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.287 -6.762 10.013 1.00 0.00 H new ATOM 325 N LEU A 21 0.084 -7.436 8.115 1.00 0.00 N ATOM 326 CA LEU A 21 -1.194 -7.991 8.544 1.00 0.00 C ATOM 327 C LEU A 21 -1.804 -8.808 7.413 1.00 0.00 C ATOM 328 O LEU A 21 -2.086 -8.276 6.343 1.00 0.00 O ATOM 329 CB LEU A 21 -2.141 -6.835 8.947 1.00 0.00 C ATOM 330 CG LEU A 21 -3.520 -7.216 9.541 1.00 0.00 C ATOM 331 CD1 LEU A 21 -4.146 -6.008 10.232 1.00 0.00 C ATOM 332 CD2 LEU A 21 -4.482 -7.737 8.468 1.00 0.00 C ATOM 0 H LEU A 21 -0.006 -6.662 7.457 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.044 -8.645 9.403 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.621 -6.212 9.675 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.313 -6.218 8.065 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.351 -8.015 10.263 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.115 -6.287 10.646 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.492 -5.669 11.036 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.279 -5.203 9.509 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -5.437 -7.992 8.928 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.638 -6.966 7.713 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.057 -8.624 7.998 1.00 0.00 H new ATOM 344 N GLU A 22 -2.000 -10.095 7.649 1.00 0.00 N ATOM 345 CA GLU A 22 -2.721 -10.943 6.708 1.00 0.00 C ATOM 346 C GLU A 22 -4.082 -11.285 7.293 1.00 0.00 C ATOM 347 O GLU A 22 -4.183 -11.664 8.463 1.00 0.00 O ATOM 348 CB GLU A 22 -1.942 -12.224 6.408 1.00 0.00 C ATOM 349 CG GLU A 22 -2.588 -13.099 5.338 1.00 0.00 C ATOM 350 CD GLU A 22 -1.855 -14.411 5.141 1.00 0.00 C ATOM 351 OE1 GLU A 22 -0.737 -14.396 4.590 1.00 0.00 O ATOM 352 OE2 GLU A 22 -2.386 -15.466 5.551 1.00 0.00 O ATOM 0 H GLU A 22 -1.670 -10.578 8.485 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.844 -10.402 5.770 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.934 -11.959 6.088 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.843 -12.802 7.327 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.622 -13.302 5.615 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.612 -12.555 4.394 1.00 0.00 H new ATOM 359 N GLU A 23 -5.127 -11.141 6.493 1.00 0.00 N ATOM 360 CA GLU A 23 -6.482 -11.365 6.971 1.00 0.00 C ATOM 361 C GLU A 23 -7.339 -11.981 5.869 1.00 0.00 C ATOM 362 O GLU A 23 -6.982 -11.917 4.690 1.00 0.00 O ATOM 363 CB GLU A 23 -7.087 -10.034 7.442 1.00 0.00 C ATOM 364 CG GLU A 23 -8.355 -10.184 8.268 1.00 0.00 C ATOM 365 CD GLU A 23 -8.136 -11.031 9.507 1.00 0.00 C ATOM 366 OE1 GLU A 23 -7.470 -10.554 10.450 1.00 0.00 O ATOM 367 OE2 GLU A 23 -8.612 -12.184 9.536 1.00 0.00 O ATOM 0 H GLU A 23 -5.063 -10.871 5.512 1.00 0.00 H new ATOM 0 HA GLU A 23 -6.455 -12.060 7.810 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.343 -9.498 8.032 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -7.306 -9.418 6.570 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -8.713 -9.198 8.563 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -9.135 -10.636 7.655 1.00 0.00 H new ATOM 374 N LEU A 24 -8.459 -12.580 6.261 1.00 0.00 N ATOM 375 CA LEU A 24 -9.392 -13.169 5.308 1.00 0.00 C ATOM 376 C LEU A 24 -10.242 -12.083 4.654 1.00 0.00 C ATOM 377 O LEU A 24 -10.656 -11.124 5.309 1.00 0.00 O ATOM 378 CB LEU A 24 -10.294 -14.199 6.003 1.00 0.00 C ATOM 379 CG LEU A 24 -9.568 -15.420 6.596 1.00 0.00 C ATOM 380 CD1 LEU A 24 -10.563 -16.373 7.255 1.00 0.00 C ATOM 381 CD2 LEU A 24 -8.752 -16.144 5.522 1.00 0.00 C ATOM 0 H LEU A 24 -8.743 -12.670 7.237 1.00 0.00 H new ATOM 0 HA LEU A 24 -8.816 -13.677 4.534 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -10.839 -13.698 6.803 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -11.034 -14.551 5.285 1.00 0.00 H new ATOM 0 HG LEU A 24 -8.878 -15.065 7.362 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -10.029 -17.229 7.667 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -11.089 -15.853 8.056 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -11.283 -16.718 6.513 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -8.248 -17.003 5.965 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -9.416 -16.483 4.727 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -8.010 -15.462 5.108 1.00 0.00 H new ATOM 393 N ILE A 25 -10.480 -12.234 3.360 1.00 0.00 N ATOM 394 CA ILE A 25 -11.300 -11.302 2.602 1.00 0.00 C ATOM 395 C ILE A 25 -12.777 -11.668 2.745 1.00 0.00 C ATOM 396 O ILE A 25 -13.179 -12.792 2.430 1.00 0.00 O ATOM 397 CB ILE A 25 -10.897 -11.307 1.107 1.00 0.00 C ATOM 398 CG1 ILE A 25 -9.435 -10.847 0.948 1.00 0.00 C ATOM 399 CG2 ILE A 25 -11.838 -10.426 0.291 1.00 0.00 C ATOM 400 CD1 ILE A 25 -8.928 -10.878 -0.479 1.00 0.00 C ATOM 0 H ILE A 25 -10.110 -13.006 2.806 1.00 0.00 H new ATOM 0 HA ILE A 25 -11.139 -10.300 3.000 1.00 0.00 H new ATOM 0 HB ILE A 25 -10.980 -12.325 0.728 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -9.341 -9.832 1.334 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -8.797 -11.482 1.563 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -11.537 -10.444 -0.756 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -12.857 -10.801 0.382 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -11.793 -9.403 0.664 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -7.892 -10.540 -0.504 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -8.987 -11.896 -0.864 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -9.540 -10.220 -1.097 1.00 0.00 H new ATOM 412 N VAL A 26 -13.580 -10.721 3.223 1.00 0.00 N ATOM 413 CA VAL A 26 -14.989 -10.983 3.518 1.00 0.00 C ATOM 414 C VAL A 26 -15.926 -10.230 2.570 1.00 0.00 C ATOM 415 O VAL A 26 -16.977 -10.748 2.188 1.00 0.00 O ATOM 416 CB VAL A 26 -15.328 -10.615 4.984 1.00 0.00 C ATOM 417 CG1 VAL A 26 -14.543 -11.501 5.952 1.00 0.00 C ATOM 418 CG2 VAL A 26 -15.052 -9.136 5.261 1.00 0.00 C ATOM 0 H VAL A 26 -13.281 -9.765 3.415 1.00 0.00 H new ATOM 0 HA VAL A 26 -15.144 -12.052 3.370 1.00 0.00 H new ATOM 0 HB VAL A 26 -16.393 -10.790 5.138 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -14.793 -11.230 6.978 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -14.801 -12.546 5.780 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -13.474 -11.360 5.789 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -15.299 -8.908 6.298 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -13.998 -8.923 5.084 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -15.662 -8.522 4.599 1.00 0.00 H new ATOM 428 N GLU A 27 -15.539 -9.020 2.185 1.00 0.00 N ATOM 429 CA GLU A 27 -16.378 -8.168 1.343 1.00 0.00 C ATOM 430 C GLU A 27 -15.564 -7.658 0.158 1.00 0.00 C ATOM 431 O GLU A 27 -14.507 -7.061 0.344 1.00 0.00 O ATOM 432 CB GLU A 27 -16.936 -7.007 2.191 1.00 0.00 C ATOM 433 CG GLU A 27 -17.915 -6.075 1.471 1.00 0.00 C ATOM 434 CD GLU A 27 -17.232 -5.024 0.604 1.00 0.00 C ATOM 435 OE1 GLU A 27 -16.469 -4.201 1.151 1.00 0.00 O ATOM 436 OE2 GLU A 27 -17.452 -5.012 -0.625 1.00 0.00 O ATOM 0 H GLU A 27 -14.645 -8.603 2.443 1.00 0.00 H new ATOM 0 HA GLU A 27 -17.220 -8.738 0.949 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -17.436 -7.426 3.064 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -16.099 -6.413 2.557 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -18.580 -6.672 0.847 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -18.538 -5.574 2.212 1.00 0.00 H new ATOM 443 N MET A 28 -16.043 -7.916 -1.058 1.00 0.00 N ATOM 444 CA MET A 28 -15.337 -7.501 -2.274 1.00 0.00 C ATOM 445 C MET A 28 -16.256 -6.648 -3.140 1.00 0.00 C ATOM 446 O MET A 28 -17.450 -6.939 -3.249 1.00 0.00 O ATOM 447 CB MET A 28 -14.866 -8.723 -3.088 1.00 0.00 C ATOM 448 CG MET A 28 -14.389 -9.905 -2.251 1.00 0.00 C ATOM 449 SD MET A 28 -15.751 -10.771 -1.436 1.00 0.00 S ATOM 450 CE MET A 28 -14.887 -12.140 -0.666 1.00 0.00 C ATOM 0 H MET A 28 -16.918 -8.411 -1.230 1.00 0.00 H new ATOM 0 HA MET A 28 -14.463 -6.922 -1.975 1.00 0.00 H new ATOM 0 HB2 MET A 28 -15.686 -9.055 -3.725 1.00 0.00 H new ATOM 0 HB3 MET A 28 -14.055 -8.412 -3.747 1.00 0.00 H new ATOM 0 HG2 MET A 28 -13.849 -10.604 -2.890 1.00 0.00 H new ATOM 0 HG3 MET A 28 -13.685 -9.552 -1.498 1.00 0.00 H new ATOM 0 HE1 MET A 28 -15.433 -13.065 -0.851 1.00 0.00 H new ATOM 0 HE2 MET A 28 -13.885 -12.220 -1.087 1.00 0.00 H new ATOM 0 HE3 MET A 28 -14.817 -11.968 0.408 1.00 0.00 H new ATOM 460 N GLU A 29 -15.701 -5.602 -3.756 1.00 0.00 N ATOM 461 CA GLU A 29 -16.464 -4.758 -4.675 1.00 0.00 C ATOM 462 C GLU A 29 -17.029 -5.595 -5.820 1.00 0.00 C ATOM 463 O GLU A 29 -18.142 -5.357 -6.300 1.00 0.00 O ATOM 464 CB GLU A 29 -15.579 -3.643 -5.247 1.00 0.00 C ATOM 465 CG GLU A 29 -16.334 -2.661 -6.137 1.00 0.00 C ATOM 466 CD GLU A 29 -15.424 -1.641 -6.802 1.00 0.00 C ATOM 467 OE1 GLU A 29 -14.936 -0.728 -6.101 1.00 0.00 O ATOM 468 OE2 GLU A 29 -15.204 -1.747 -8.027 1.00 0.00 O ATOM 0 H GLU A 29 -14.728 -5.320 -3.635 1.00 0.00 H new ATOM 0 HA GLU A 29 -17.286 -4.309 -4.117 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -15.121 -3.096 -4.423 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -14.769 -4.092 -5.821 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -16.872 -3.216 -6.906 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -17.081 -2.138 -5.540 1.00 0.00 H new ATOM 475 N ASN A 30 -16.246 -6.579 -6.244 1.00 0.00 N ATOM 476 CA ASN A 30 -16.619 -7.452 -7.350 1.00 0.00 C ATOM 477 C ASN A 30 -16.946 -8.851 -6.822 1.00 0.00 C ATOM 478 O ASN A 30 -16.274 -9.340 -5.910 1.00 0.00 O ATOM 479 CB ASN A 30 -15.471 -7.524 -8.368 1.00 0.00 C ATOM 480 CG ASN A 30 -15.867 -8.222 -9.658 1.00 0.00 C ATOM 481 OD1 ASN A 30 -15.762 -9.445 -9.777 1.00 0.00 O ATOM 482 ND2 ASN A 30 -16.321 -7.450 -10.634 1.00 0.00 N ATOM 0 H ASN A 30 -15.338 -6.794 -5.833 1.00 0.00 H new ATOM 0 HA ASN A 30 -17.503 -7.047 -7.843 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -15.131 -6.514 -8.597 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -14.628 -8.050 -7.920 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -16.599 -7.864 -11.524 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -16.393 -6.442 -10.496 1.00 0.00 H new ATOM 489 N PRO A 31 -17.988 -9.507 -7.374 1.00 0.00 N ATOM 490 CA PRO A 31 -18.382 -10.869 -6.982 1.00 0.00 C ATOM 491 C PRO A 31 -17.201 -11.843 -6.968 1.00 0.00 C ATOM 492 O PRO A 31 -17.143 -12.752 -6.131 1.00 0.00 O ATOM 493 CB PRO A 31 -19.413 -11.276 -8.055 1.00 0.00 C ATOM 494 CG PRO A 31 -19.324 -10.224 -9.114 1.00 0.00 C ATOM 495 CD PRO A 31 -18.886 -8.976 -8.410 1.00 0.00 C ATOM 0 HA PRO A 31 -18.777 -10.897 -5.967 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -19.188 -12.262 -8.461 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -20.418 -11.326 -7.635 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -18.611 -10.507 -9.888 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -20.287 -10.080 -9.604 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -18.372 -8.288 -9.081 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -19.728 -8.433 -7.981 1.00 0.00 H new ATOM 503 N ALA A 32 -16.263 -11.648 -7.892 1.00 0.00 N ATOM 504 CA ALA A 32 -15.065 -12.477 -7.953 1.00 0.00 C ATOM 505 C ALA A 32 -14.103 -12.098 -6.836 1.00 0.00 C ATOM 506 O ALA A 32 -13.904 -12.864 -5.893 1.00 0.00 O ATOM 507 CB ALA A 32 -14.377 -12.341 -9.305 1.00 0.00 C ATOM 0 H ALA A 32 -16.311 -10.923 -8.608 1.00 0.00 H new ATOM 0 HA ALA A 32 -15.366 -13.517 -7.825 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -13.486 -12.969 -9.325 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -15.060 -12.655 -10.094 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -14.091 -11.301 -9.465 1.00 0.00 H new ATOM 513 N LEU A 33 -13.523 -10.900 -6.941 1.00 0.00 N ATOM 514 CA LEU A 33 -12.551 -10.424 -5.960 1.00 0.00 C ATOM 515 C LEU A 33 -12.035 -9.037 -6.348 1.00 0.00 C ATOM 516 O LEU A 33 -12.334 -8.042 -5.687 1.00 0.00 O ATOM 517 CB LEU A 33 -11.374 -11.411 -5.851 1.00 0.00 C ATOM 518 CG LEU A 33 -10.448 -11.207 -4.639 1.00 0.00 C ATOM 519 CD1 LEU A 33 -11.220 -11.358 -3.333 1.00 0.00 C ATOM 520 CD2 LEU A 33 -9.273 -12.181 -4.687 1.00 0.00 C ATOM 0 H LEU A 33 -13.712 -10.243 -7.698 1.00 0.00 H new ATOM 0 HA LEU A 33 -13.046 -10.356 -4.991 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -11.774 -12.424 -5.814 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -10.776 -11.338 -6.759 1.00 0.00 H new ATOM 0 HG LEU A 33 -10.053 -10.192 -4.683 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -10.544 -11.209 -2.491 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -12.017 -10.616 -3.294 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -11.652 -12.357 -3.279 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.631 -12.020 -3.821 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.648 -13.204 -4.675 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.700 -12.015 -5.599 1.00 0.00 H new ATOM 532 N TRP A 34 -11.274 -8.990 -7.440 1.00 0.00 N ATOM 533 CA TRP A 34 -10.638 -7.757 -7.904 1.00 0.00 C ATOM 534 C TRP A 34 -11.651 -6.870 -8.621 1.00 0.00 C ATOM 535 O TRP A 34 -12.428 -7.354 -9.447 1.00 0.00 O ATOM 536 CB TRP A 34 -9.466 -8.092 -8.843 1.00 0.00 C ATOM 537 CG TRP A 34 -8.373 -8.884 -8.178 1.00 0.00 C ATOM 538 CD1 TRP A 34 -8.511 -10.054 -7.487 1.00 0.00 C ATOM 539 CD2 TRP A 34 -6.975 -8.573 -8.152 1.00 0.00 C ATOM 540 NE1 TRP A 34 -7.295 -10.478 -7.021 1.00 0.00 N ATOM 541 CE2 TRP A 34 -6.336 -9.590 -7.419 1.00 0.00 C ATOM 542 CE3 TRP A 34 -6.202 -7.534 -8.675 1.00 0.00 C ATOM 543 CZ2 TRP A 34 -4.967 -9.595 -7.194 1.00 0.00 C ATOM 544 CZ3 TRP A 34 -4.841 -7.540 -8.451 1.00 0.00 C ATOM 545 CH2 TRP A 34 -4.235 -8.566 -7.718 1.00 0.00 C ATOM 0 H TRP A 34 -11.081 -9.802 -8.027 1.00 0.00 H new ATOM 0 HA TRP A 34 -10.256 -7.214 -7.039 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -9.844 -8.655 -9.697 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -9.046 -7.165 -9.233 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -9.446 -10.571 -7.330 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -7.132 -11.319 -6.467 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -6.662 -6.740 -9.245 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -4.496 -10.383 -6.625 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -4.234 -6.740 -8.848 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -3.166 -8.545 -7.563 1.00 0.00 H new ATOM 556 N GLY A 35 -11.635 -5.578 -8.313 1.00 0.00 N ATOM 557 CA GLY A 35 -12.589 -4.661 -8.909 1.00 0.00 C ATOM 558 C GLY A 35 -12.286 -3.216 -8.577 1.00 0.00 C ATOM 559 O GLY A 35 -12.236 -2.366 -9.467 1.00 0.00 O ATOM 0 H GLY A 35 -10.978 -5.149 -7.661 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -12.586 -4.791 -9.991 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -13.592 -4.908 -8.561 1.00 0.00 H new ATOM 563 N GLY A 36 -12.051 -2.942 -7.299 1.00 0.00 N ATOM 564 CA GLY A 36 -11.825 -1.579 -6.855 1.00 0.00 C ATOM 565 C GLY A 36 -11.421 -1.529 -5.399 1.00 0.00 C ATOM 566 O GLY A 36 -10.263 -1.284 -5.080 1.00 0.00 O ATOM 0 H GLY A 36 -12.013 -3.643 -6.559 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -11.047 -1.121 -7.465 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -12.732 -0.992 -7.002 1.00 0.00 H new ATOM 570 N LYS A 37 -12.376 -1.774 -4.511 1.00 0.00 N ATOM 571 CA LYS A 37 -12.098 -1.831 -3.078 1.00 0.00 C ATOM 572 C LYS A 37 -12.530 -3.174 -2.489 1.00 0.00 C ATOM 573 O LYS A 37 -13.399 -3.859 -3.038 1.00 0.00 O ATOM 574 CB LYS A 37 -12.761 -0.645 -2.340 1.00 0.00 C ATOM 575 CG LYS A 37 -14.165 -0.267 -2.836 1.00 0.00 C ATOM 576 CD LYS A 37 -15.228 -1.315 -2.503 1.00 0.00 C ATOM 577 CE LYS A 37 -15.443 -1.473 -1.002 1.00 0.00 C ATOM 578 NZ LYS A 37 -16.569 -2.394 -0.699 1.00 0.00 N ATOM 0 H LYS A 37 -13.352 -1.937 -4.757 1.00 0.00 H new ATOM 0 HA LYS A 37 -11.021 -1.744 -2.937 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.821 -0.886 -1.279 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -12.114 0.227 -2.432 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -14.454 0.687 -2.394 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -14.134 -0.122 -3.916 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -16.170 -1.034 -2.974 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -14.933 -2.275 -2.927 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -14.530 -1.852 -0.542 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -15.642 -0.497 -0.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -16.527 -2.676 0.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -17.472 -1.912 -0.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -16.497 -3.240 -1.300 1.00 0.00 H new ATOM 592 N VAL A 38 -11.902 -3.547 -1.382 1.00 0.00 N ATOM 593 CA VAL A 38 -12.171 -4.812 -0.713 1.00 0.00 C ATOM 594 C VAL A 38 -12.004 -4.635 0.798 1.00 0.00 C ATOM 595 O VAL A 38 -11.318 -3.712 1.241 1.00 0.00 O ATOM 596 CB VAL A 38 -11.222 -5.929 -1.237 1.00 0.00 C ATOM 597 CG1 VAL A 38 -9.776 -5.681 -0.810 1.00 0.00 C ATOM 598 CG2 VAL A 38 -11.690 -7.305 -0.788 1.00 0.00 C ATOM 0 H VAL A 38 -11.190 -2.979 -0.922 1.00 0.00 H new ATOM 0 HA VAL A 38 -13.195 -5.115 -0.930 1.00 0.00 H new ATOM 0 HB VAL A 38 -11.257 -5.900 -2.326 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -9.141 -6.480 -1.193 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -9.437 -4.725 -1.210 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -9.716 -5.661 0.278 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -11.007 -8.064 -1.170 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -11.707 -7.346 0.301 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -12.692 -7.492 -1.173 1.00 0.00 H new ATOM 608 N THR A 39 -12.636 -5.497 1.582 1.00 0.00 N ATOM 609 CA THR A 39 -12.578 -5.398 3.036 1.00 0.00 C ATOM 610 C THR A 39 -12.137 -6.722 3.661 1.00 0.00 C ATOM 611 O THR A 39 -12.674 -7.791 3.340 1.00 0.00 O ATOM 612 CB THR A 39 -13.947 -4.983 3.622 1.00 0.00 C ATOM 613 OG1 THR A 39 -14.403 -3.780 2.985 1.00 0.00 O ATOM 614 CG2 THR A 39 -13.861 -4.756 5.130 1.00 0.00 C ATOM 0 H THR A 39 -13.197 -6.275 1.236 1.00 0.00 H new ATOM 0 HA THR A 39 -11.843 -4.630 3.277 1.00 0.00 H new ATOM 0 HB THR A 39 -14.652 -5.794 3.436 1.00 0.00 H new ATOM 0 HG1 THR A 39 -15.123 -3.996 2.356 1.00 0.00 H new ATOM 0 HG21 THR A 39 -14.840 -4.465 5.511 1.00 0.00 H new ATOM 0 HG22 THR A 39 -13.540 -5.676 5.619 1.00 0.00 H new ATOM 0 HG23 THR A 39 -13.141 -3.964 5.338 1.00 0.00 H new ATOM 622 N LEU A 40 -11.144 -6.637 4.543 1.00 0.00 N ATOM 623 CA LEU A 40 -10.659 -7.788 5.298 1.00 0.00 C ATOM 624 C LEU A 40 -11.569 -8.050 6.498 1.00 0.00 C ATOM 625 O LEU A 40 -12.341 -7.178 6.901 1.00 0.00 O ATOM 626 CB LEU A 40 -9.216 -7.550 5.782 1.00 0.00 C ATOM 627 CG LEU A 40 -8.115 -7.614 4.705 1.00 0.00 C ATOM 628 CD1 LEU A 40 -8.162 -8.947 3.967 1.00 0.00 C ATOM 629 CD2 LEU A 40 -8.221 -6.449 3.723 1.00 0.00 C ATOM 0 H LEU A 40 -10.653 -5.768 4.754 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.669 -8.658 4.642 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -9.172 -6.571 6.258 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.987 -8.289 6.550 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.153 -7.531 5.211 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.377 -8.972 3.211 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.010 -9.761 4.676 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.133 -9.062 3.486 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.429 -6.527 2.978 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.191 -6.479 3.226 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.119 -5.508 4.263 1.00 0.00 H new ATOM 641 N ALA A 41 -11.456 -9.243 7.078 1.00 0.00 N ATOM 642 CA ALA A 41 -12.272 -9.633 8.232 1.00 0.00 C ATOM 643 C ALA A 41 -12.025 -8.712 9.428 1.00 0.00 C ATOM 644 O ALA A 41 -12.885 -8.559 10.297 1.00 0.00 O ATOM 645 CB ALA A 41 -11.991 -11.084 8.608 1.00 0.00 C ATOM 0 H ALA A 41 -10.803 -9.963 6.767 1.00 0.00 H new ATOM 0 HA ALA A 41 -13.321 -9.536 7.951 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -12.603 -11.362 9.466 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.232 -11.732 7.765 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -10.937 -11.197 8.862 1.00 0.00 H new ATOM 651 N ASN A 42 -10.848 -8.090 9.451 1.00 0.00 N ATOM 652 CA ASN A 42 -10.467 -7.176 10.531 1.00 0.00 C ATOM 653 C ASN A 42 -11.022 -5.769 10.271 1.00 0.00 C ATOM 654 O ASN A 42 -10.727 -4.825 11.004 1.00 0.00 O ATOM 655 CB ASN A 42 -8.933 -7.136 10.666 1.00 0.00 C ATOM 656 CG ASN A 42 -8.454 -6.329 11.868 1.00 0.00 C ATOM 657 OD1 ASN A 42 -7.285 -5.720 11.746 1.00 0.00 O flip ATOM 658 ND2 ASN A 42 -9.129 -6.257 12.896 1.00 0.00 N flip ATOM 0 H ASN A 42 -10.136 -8.202 8.730 1.00 0.00 H new ATOM 0 HA ASN A 42 -10.894 -7.540 11.465 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -8.556 -8.155 10.748 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -8.506 -6.710 9.758 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -10.025 -6.740 12.952 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -8.791 -5.714 13.691 1.00 0.00 H new ATOM 665 N GLY A 43 -11.826 -5.632 9.217 1.00 0.00 N ATOM 666 CA GLY A 43 -12.422 -4.346 8.884 1.00 0.00 C ATOM 667 C GLY A 43 -11.470 -3.442 8.121 1.00 0.00 C ATOM 668 O GLY A 43 -11.763 -2.265 7.898 1.00 0.00 O ATOM 0 H GLY A 43 -12.076 -6.392 8.585 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -13.319 -4.509 8.287 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -12.735 -3.847 9.801 1.00 0.00 H new ATOM 672 N TRP A 44 -10.329 -3.997 7.722 1.00 0.00 N ATOM 673 CA TRP A 44 -9.327 -3.259 6.958 1.00 0.00 C ATOM 674 C TRP A 44 -9.777 -3.129 5.502 1.00 0.00 C ATOM 675 O TRP A 44 -9.870 -4.124 4.786 1.00 0.00 O ATOM 676 CB TRP A 44 -7.969 -3.982 7.041 1.00 0.00 C ATOM 677 CG TRP A 44 -6.830 -3.245 6.382 1.00 0.00 C ATOM 678 CD1 TRP A 44 -6.513 -3.233 5.051 1.00 0.00 C ATOM 679 CD2 TRP A 44 -5.848 -2.428 7.032 1.00 0.00 C ATOM 680 NE1 TRP A 44 -5.402 -2.453 4.837 1.00 0.00 N ATOM 681 CE2 TRP A 44 -4.976 -1.949 6.037 1.00 0.00 C ATOM 682 CE3 TRP A 44 -5.625 -2.054 8.358 1.00 0.00 C ATOM 683 CZ2 TRP A 44 -3.899 -1.116 6.328 1.00 0.00 C ATOM 684 CZ3 TRP A 44 -4.555 -1.227 8.647 1.00 0.00 C ATOM 685 CH2 TRP A 44 -3.705 -0.765 7.635 1.00 0.00 C ATOM 0 H TRP A 44 -10.074 -4.965 7.917 1.00 0.00 H new ATOM 0 HA TRP A 44 -9.216 -2.260 7.379 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -7.722 -4.145 8.090 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -8.065 -4.965 6.579 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -7.057 -3.760 4.281 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -4.966 -2.278 3.932 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -6.277 -2.404 9.145 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -3.241 -0.760 5.549 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -4.372 -0.933 9.670 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -2.879 -0.118 7.892 1.00 0.00 H new ATOM 696 N GLN A 45 -10.085 -1.908 5.081 1.00 0.00 N ATOM 697 CA GLN A 45 -10.500 -1.650 3.704 1.00 0.00 C ATOM 698 C GLN A 45 -9.283 -1.364 2.823 1.00 0.00 C ATOM 699 O GLN A 45 -8.574 -0.374 3.021 1.00 0.00 O ATOM 700 CB GLN A 45 -11.497 -0.488 3.659 1.00 0.00 C ATOM 701 CG GLN A 45 -12.830 -0.810 4.327 1.00 0.00 C ATOM 702 CD GLN A 45 -13.743 0.396 4.433 1.00 0.00 C ATOM 703 OE1 GLN A 45 -13.712 1.126 5.427 1.00 0.00 O ATOM 704 NE2 GLN A 45 -14.556 0.619 3.412 1.00 0.00 N ATOM 0 H GLN A 45 -10.056 -1.078 5.674 1.00 0.00 H new ATOM 0 HA GLN A 45 -10.996 -2.539 3.314 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -11.054 0.380 4.147 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -11.677 -0.213 2.620 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -13.335 -1.593 3.761 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -12.644 -1.208 5.325 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -14.550 -0.009 2.609 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -15.188 1.419 3.429 1.00 0.00 H new ATOM 713 N LEU A 46 -9.056 -2.247 1.857 1.00 0.00 N ATOM 714 CA LEU A 46 -7.900 -2.174 0.967 1.00 0.00 C ATOM 715 C LEU A 46 -8.393 -2.014 -0.474 1.00 0.00 C ATOM 716 O LEU A 46 -9.349 -2.674 -0.881 1.00 0.00 O ATOM 717 CB LEU A 46 -7.059 -3.462 1.135 1.00 0.00 C ATOM 718 CG LEU A 46 -5.604 -3.433 0.607 1.00 0.00 C ATOM 719 CD1 LEU A 46 -5.548 -3.425 -0.918 1.00 0.00 C ATOM 720 CD2 LEU A 46 -4.849 -2.238 1.183 1.00 0.00 C ATOM 0 H LEU A 46 -9.671 -3.038 1.667 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.272 -1.317 1.213 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.028 -3.709 2.196 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -7.584 -4.275 0.634 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.118 -4.349 0.941 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.508 -3.404 -1.244 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.032 -4.322 -1.305 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -6.064 -2.543 -1.296 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -3.828 -2.234 0.801 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -5.350 -1.315 0.890 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.829 -2.310 2.270 1.00 0.00 H new ATOM 732 N GLU A 47 -7.765 -1.123 -1.235 1.00 0.00 N ATOM 733 CA GLU A 47 -8.152 -0.909 -2.629 1.00 0.00 C ATOM 734 C GLU A 47 -7.557 -2.002 -3.521 1.00 0.00 C ATOM 735 O GLU A 47 -6.340 -2.074 -3.705 1.00 0.00 O ATOM 736 CB GLU A 47 -7.711 0.478 -3.114 1.00 0.00 C ATOM 737 CG GLU A 47 -8.240 0.832 -4.501 1.00 0.00 C ATOM 738 CD GLU A 47 -7.856 2.231 -4.946 1.00 0.00 C ATOM 739 OE1 GLU A 47 -8.574 3.191 -4.590 1.00 0.00 O ATOM 740 OE2 GLU A 47 -6.840 2.380 -5.657 1.00 0.00 O ATOM 0 H GLU A 47 -6.991 -0.540 -0.915 1.00 0.00 H new ATOM 0 HA GLU A 47 -9.239 -0.960 -2.692 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -8.051 1.229 -2.401 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -6.622 0.521 -3.127 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -7.859 0.110 -5.224 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.326 0.742 -4.503 1.00 0.00 H new ATOM 747 N LEU A 48 -8.427 -2.851 -4.060 1.00 0.00 N ATOM 748 CA LEU A 48 -8.016 -3.967 -4.905 1.00 0.00 C ATOM 749 C LEU A 48 -8.421 -3.700 -6.356 1.00 0.00 C ATOM 750 O LEU A 48 -9.583 -3.905 -6.725 1.00 0.00 O ATOM 751 CB LEU A 48 -8.666 -5.267 -4.408 1.00 0.00 C ATOM 752 CG LEU A 48 -8.152 -6.559 -5.066 1.00 0.00 C ATOM 753 CD1 LEU A 48 -6.639 -6.683 -4.909 1.00 0.00 C ATOM 754 CD2 LEU A 48 -8.860 -7.780 -4.478 1.00 0.00 C ATOM 0 H LEU A 48 -9.436 -2.785 -3.923 1.00 0.00 H new ATOM 0 HA LEU A 48 -6.932 -4.071 -4.854 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -8.511 -5.342 -3.332 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -9.742 -5.200 -4.571 1.00 0.00 H new ATOM 0 HG LEU A 48 -8.378 -6.513 -6.131 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.298 -7.604 -5.382 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.153 -5.830 -5.383 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.384 -6.703 -3.850 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -8.483 -8.684 -4.956 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.670 -7.830 -3.406 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -9.933 -7.698 -4.652 1.00 0.00 H new ATOM 766 N PRO A 49 -7.471 -3.246 -7.200 1.00 0.00 N ATOM 767 CA PRO A 49 -7.767 -2.841 -8.583 1.00 0.00 C ATOM 768 C PRO A 49 -8.232 -4.018 -9.440 1.00 0.00 C ATOM 769 O PRO A 49 -7.882 -5.168 -9.173 1.00 0.00 O ATOM 770 CB PRO A 49 -6.424 -2.285 -9.100 1.00 0.00 C ATOM 771 CG PRO A 49 -5.589 -2.074 -7.877 1.00 0.00 C ATOM 772 CD PRO A 49 -6.034 -3.119 -6.897 1.00 0.00 C ATOM 0 HA PRO A 49 -8.579 -2.116 -8.630 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -5.947 -2.984 -9.787 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -6.568 -1.352 -9.644 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.528 -2.177 -8.105 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -5.732 -1.072 -7.473 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -5.504 -4.061 -7.039 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -5.862 -2.809 -5.866 1.00 0.00 H new ATOM 780 N ALA A 50 -9.017 -3.727 -10.470 1.00 0.00 N ATOM 781 CA ALA A 50 -9.496 -4.759 -11.380 1.00 0.00 C ATOM 782 C ALA A 50 -8.404 -5.123 -12.384 1.00 0.00 C ATOM 783 O ALA A 50 -8.350 -4.571 -13.486 1.00 0.00 O ATOM 784 CB ALA A 50 -10.765 -4.302 -12.096 1.00 0.00 C ATOM 0 H ALA A 50 -9.335 -2.785 -10.696 1.00 0.00 H new ATOM 0 HA ALA A 50 -9.742 -5.649 -10.800 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -11.105 -5.088 -12.770 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -11.542 -4.093 -11.361 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -10.555 -3.399 -12.668 1.00 0.00 H new ATOM 790 N MET A 51 -7.504 -6.015 -11.974 1.00 0.00 N ATOM 791 CA MET A 51 -6.413 -6.468 -12.836 1.00 0.00 C ATOM 792 C MET A 51 -6.595 -7.945 -13.191 1.00 0.00 C ATOM 793 O MET A 51 -7.090 -8.275 -14.270 1.00 0.00 O ATOM 794 CB MET A 51 -5.051 -6.245 -12.154 1.00 0.00 C ATOM 795 CG MET A 51 -4.760 -4.787 -11.803 1.00 0.00 C ATOM 796 SD MET A 51 -4.745 -3.698 -13.242 1.00 0.00 S ATOM 797 CE MET A 51 -3.440 -4.435 -14.227 1.00 0.00 C ATOM 0 H MET A 51 -7.509 -6.440 -11.047 1.00 0.00 H new ATOM 0 HA MET A 51 -6.436 -5.882 -13.755 1.00 0.00 H new ATOM 0 HB2 MET A 51 -5.011 -6.842 -11.243 1.00 0.00 H new ATOM 0 HB3 MET A 51 -4.263 -6.613 -12.811 1.00 0.00 H new ATOM 0 HG2 MET A 51 -5.511 -4.434 -11.096 1.00 0.00 H new ATOM 0 HG3 MET A 51 -3.795 -4.727 -11.300 1.00 0.00 H new ATOM 0 HE1 MET A 51 -3.120 -3.729 -14.994 1.00 0.00 H new ATOM 0 HE2 MET A 51 -2.594 -4.681 -13.585 1.00 0.00 H new ATOM 0 HE3 MET A 51 -3.811 -5.343 -14.702 1.00 0.00 H new ATOM 807 N ALA A 52 -6.225 -8.829 -12.266 1.00 0.00 N ATOM 808 CA ALA A 52 -6.342 -10.270 -12.478 1.00 0.00 C ATOM 809 C ALA A 52 -7.096 -10.912 -11.315 1.00 0.00 C ATOM 810 O ALA A 52 -6.532 -11.134 -10.245 1.00 0.00 O ATOM 811 CB ALA A 52 -4.959 -10.896 -12.644 1.00 0.00 C ATOM 0 H ALA A 52 -5.840 -8.570 -11.358 1.00 0.00 H new ATOM 0 HA ALA A 52 -6.906 -10.449 -13.393 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -5.062 -11.970 -12.801 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -4.458 -10.450 -13.503 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -4.368 -10.716 -11.746 1.00 0.00 H new ATOM 817 N ALA A 53 -8.374 -11.199 -11.533 1.00 0.00 N ATOM 818 CA ALA A 53 -9.239 -11.723 -10.482 1.00 0.00 C ATOM 819 C ALA A 53 -9.010 -13.216 -10.268 1.00 0.00 C ATOM 820 O ALA A 53 -8.781 -13.669 -9.145 1.00 0.00 O ATOM 821 CB ALA A 53 -10.701 -11.453 -10.824 1.00 0.00 C ATOM 0 H ALA A 53 -8.837 -11.077 -12.434 1.00 0.00 H new ATOM 0 HA ALA A 53 -8.990 -11.212 -9.552 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -11.339 -11.848 -10.033 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -10.861 -10.379 -10.916 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -10.950 -11.939 -11.767 1.00 0.00 H new ATOM 827 N ASP A 54 -9.051 -13.974 -11.358 1.00 0.00 N ATOM 828 CA ASP A 54 -8.986 -15.435 -11.299 1.00 0.00 C ATOM 829 C ASP A 54 -7.563 -15.951 -11.499 1.00 0.00 C ATOM 830 O ASP A 54 -7.367 -17.080 -11.952 1.00 0.00 O ATOM 831 CB ASP A 54 -9.920 -16.047 -12.352 1.00 0.00 C ATOM 832 CG ASP A 54 -11.390 -15.786 -12.052 1.00 0.00 C ATOM 833 OD1 ASP A 54 -11.990 -16.558 -11.266 1.00 0.00 O ATOM 834 OD2 ASP A 54 -11.950 -14.812 -12.596 1.00 0.00 O ATOM 0 H ASP A 54 -9.130 -13.599 -12.303 1.00 0.00 H new ATOM 0 HA ASP A 54 -9.310 -15.739 -10.304 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -9.675 -15.638 -13.332 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -9.749 -17.122 -12.404 1.00 0.00 H new ATOM 839 N THR A 55 -6.577 -15.132 -11.145 1.00 0.00 N ATOM 840 CA THR A 55 -5.180 -15.552 -11.197 1.00 0.00 C ATOM 841 C THR A 55 -4.937 -16.677 -10.179 1.00 0.00 C ATOM 842 O THR A 55 -5.391 -16.590 -9.038 1.00 0.00 O ATOM 843 CB THR A 55 -4.213 -14.366 -10.928 1.00 0.00 C ATOM 844 OG1 THR A 55 -2.851 -14.806 -11.032 1.00 0.00 O ATOM 845 CG2 THR A 55 -4.448 -13.750 -9.552 1.00 0.00 C ATOM 0 H THR A 55 -6.719 -14.176 -10.820 1.00 0.00 H new ATOM 0 HA THR A 55 -4.976 -15.920 -12.203 1.00 0.00 H new ATOM 0 HB THR A 55 -4.411 -13.602 -11.680 1.00 0.00 H new ATOM 0 HG1 THR A 55 -2.250 -14.051 -10.863 1.00 0.00 H new ATOM 0 HG21 THR A 55 -3.753 -12.924 -9.400 1.00 0.00 H new ATOM 0 HG22 THR A 55 -5.471 -13.380 -9.489 1.00 0.00 H new ATOM 0 HG23 THR A 55 -4.287 -14.505 -8.783 1.00 0.00 H new ATOM 853 N PRO A 56 -4.241 -17.758 -10.581 1.00 0.00 N ATOM 854 CA PRO A 56 -4.043 -18.934 -9.726 1.00 0.00 C ATOM 855 C PRO A 56 -2.874 -18.791 -8.749 1.00 0.00 C ATOM 856 O PRO A 56 -2.616 -19.692 -7.948 1.00 0.00 O ATOM 857 CB PRO A 56 -3.753 -20.031 -10.751 1.00 0.00 C ATOM 858 CG PRO A 56 -3.028 -19.325 -11.848 1.00 0.00 C ATOM 859 CD PRO A 56 -3.607 -17.930 -11.905 1.00 0.00 C ATOM 0 HA PRO A 56 -4.902 -19.120 -9.081 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -3.146 -20.828 -10.321 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -4.673 -20.491 -11.113 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -1.957 -19.294 -11.650 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -3.162 -19.841 -12.799 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -2.833 -17.182 -12.078 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -4.333 -17.831 -12.712 1.00 0.00 H new ATOM 867 N LEU A 57 -2.171 -17.665 -8.808 1.00 0.00 N ATOM 868 CA LEU A 57 -0.982 -17.460 -7.982 1.00 0.00 C ATOM 869 C LEU A 57 -1.142 -16.235 -7.079 1.00 0.00 C ATOM 870 O LEU A 57 -1.847 -15.286 -7.432 1.00 0.00 O ATOM 871 CB LEU A 57 0.274 -17.347 -8.878 1.00 0.00 C ATOM 872 CG LEU A 57 0.186 -16.370 -10.074 1.00 0.00 C ATOM 873 CD1 LEU A 57 0.325 -14.914 -9.628 1.00 0.00 C ATOM 874 CD2 LEU A 57 1.240 -16.713 -11.125 1.00 0.00 C ATOM 0 H LEU A 57 -2.402 -16.880 -9.417 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.857 -18.324 -7.329 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.113 -17.044 -8.252 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.507 -18.339 -9.265 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.803 -16.483 -10.519 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.258 -14.259 -10.497 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.474 -14.670 -8.927 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.290 -14.773 -9.141 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.163 -16.015 -11.959 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.233 -16.640 -10.682 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.077 -17.729 -11.486 1.00 0.00 H new ATOM 886 N PRO A 58 -0.509 -16.252 -5.886 1.00 0.00 N ATOM 887 CA PRO A 58 -0.525 -15.104 -4.974 1.00 0.00 C ATOM 888 C PRO A 58 0.270 -13.930 -5.547 1.00 0.00 C ATOM 889 O PRO A 58 1.500 -13.874 -5.432 1.00 0.00 O ATOM 890 CB PRO A 58 0.122 -15.647 -3.689 1.00 0.00 C ATOM 891 CG PRO A 58 0.970 -16.788 -4.146 1.00 0.00 C ATOM 892 CD PRO A 58 0.258 -17.388 -5.331 1.00 0.00 C ATOM 0 HA PRO A 58 -1.529 -14.715 -4.804 1.00 0.00 H new ATOM 0 HB2 PRO A 58 0.720 -14.883 -3.193 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -0.632 -15.975 -2.974 1.00 0.00 H new ATOM 0 HG2 PRO A 58 1.967 -16.446 -4.422 1.00 0.00 H new ATOM 0 HG3 PRO A 58 1.094 -17.524 -3.352 1.00 0.00 H new ATOM 0 HD2 PRO A 58 0.961 -17.791 -6.060 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -0.397 -18.207 -5.033 1.00 0.00 H new ATOM 900 N ILE A 59 -0.435 -13.017 -6.195 1.00 0.00 N ATOM 901 CA ILE A 59 0.191 -11.875 -6.851 1.00 0.00 C ATOM 902 C ILE A 59 0.319 -10.696 -5.886 1.00 0.00 C ATOM 903 O ILE A 59 -0.560 -10.457 -5.053 1.00 0.00 O ATOM 904 CB ILE A 59 -0.603 -11.449 -8.116 1.00 0.00 C ATOM 905 CG1 ILE A 59 0.018 -10.193 -8.761 1.00 0.00 C ATOM 906 CG2 ILE A 59 -2.073 -11.221 -7.776 1.00 0.00 C ATOM 907 CD1 ILE A 59 -0.698 -9.719 -10.010 1.00 0.00 C ATOM 0 H ILE A 59 -1.451 -13.044 -6.282 1.00 0.00 H new ATOM 0 HA ILE A 59 1.190 -12.181 -7.162 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.545 -12.259 -8.843 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.021 -9.386 -8.029 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.059 -10.402 -9.009 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -2.612 -10.923 -8.675 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -2.503 -12.143 -7.383 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -2.155 -10.434 -7.026 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.199 -8.832 -10.401 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.679 -10.508 -10.762 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.732 -9.475 -9.766 1.00 0.00 H new ATOM 919 N THR A 60 1.432 -9.976 -5.991 1.00 0.00 N ATOM 920 CA THR A 60 1.692 -8.813 -5.152 1.00 0.00 C ATOM 921 C THR A 60 1.426 -7.518 -5.927 1.00 0.00 C ATOM 922 O THR A 60 2.011 -7.291 -6.992 1.00 0.00 O ATOM 923 CB THR A 60 3.152 -8.827 -4.650 1.00 0.00 C ATOM 924 OG1 THR A 60 3.438 -10.091 -4.031 1.00 0.00 O ATOM 925 CG2 THR A 60 3.407 -7.702 -3.653 1.00 0.00 C ATOM 0 H THR A 60 2.176 -10.182 -6.658 1.00 0.00 H new ATOM 0 HA THR A 60 1.019 -8.856 -4.295 1.00 0.00 H new ATOM 0 HB THR A 60 3.807 -8.677 -5.509 1.00 0.00 H new ATOM 0 HG1 THR A 60 4.366 -10.098 -3.715 1.00 0.00 H new ATOM 0 HG21 THR A 60 4.444 -7.740 -3.319 1.00 0.00 H new ATOM 0 HG22 THR A 60 3.215 -6.742 -4.131 1.00 0.00 H new ATOM 0 HG23 THR A 60 2.745 -7.819 -2.795 1.00 0.00 H new ATOM 933 N VAL A 61 0.541 -6.681 -5.391 1.00 0.00 N ATOM 934 CA VAL A 61 0.166 -5.421 -6.030 1.00 0.00 C ATOM 935 C VAL A 61 0.313 -4.251 -5.059 1.00 0.00 C ATOM 936 O VAL A 61 0.687 -4.435 -3.896 1.00 0.00 O ATOM 937 CB VAL A 61 -1.291 -5.456 -6.565 1.00 0.00 C ATOM 938 CG1 VAL A 61 -1.424 -6.442 -7.722 1.00 0.00 C ATOM 939 CG2 VAL A 61 -2.277 -5.797 -5.446 1.00 0.00 C ATOM 0 H VAL A 61 0.065 -6.855 -4.506 1.00 0.00 H new ATOM 0 HA VAL A 61 0.844 -5.284 -6.873 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.534 -4.461 -6.938 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -2.454 -6.448 -8.079 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.761 -6.142 -8.533 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.152 -7.441 -7.382 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -3.290 -5.815 -5.847 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.033 -6.775 -5.032 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.211 -5.044 -4.661 1.00 0.00 H new ATOM 949 N GLU A 62 0.034 -3.050 -5.560 1.00 0.00 N ATOM 950 CA GLU A 62 0.055 -1.840 -4.745 1.00 0.00 C ATOM 951 C GLU A 62 -1.104 -1.844 -3.749 1.00 0.00 C ATOM 952 O GLU A 62 -2.167 -2.410 -4.021 1.00 0.00 O ATOM 953 CB GLU A 62 -0.008 -0.578 -5.627 1.00 0.00 C ATOM 954 CG GLU A 62 -1.068 -0.613 -6.732 1.00 0.00 C ATOM 955 CD GLU A 62 -0.550 -1.212 -8.034 1.00 0.00 C ATOM 956 OE1 GLU A 62 0.053 -0.464 -8.834 1.00 0.00 O ATOM 957 OE2 GLU A 62 -0.731 -2.426 -8.265 1.00 0.00 O ATOM 0 H GLU A 62 -0.212 -2.889 -6.537 1.00 0.00 H new ATOM 0 HA GLU A 62 0.994 -1.825 -4.192 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -0.199 0.284 -4.988 1.00 0.00 H new ATOM 0 HB3 GLU A 62 0.969 -0.425 -6.086 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -1.925 -1.192 -6.388 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.423 0.400 -6.920 1.00 0.00 H new ATOM 964 N ALA A 63 -0.893 -1.207 -2.603 1.00 0.00 N ATOM 965 CA ALA A 63 -1.894 -1.167 -1.540 1.00 0.00 C ATOM 966 C ALA A 63 -2.385 0.259 -1.300 1.00 0.00 C ATOM 967 O ALA A 63 -1.652 1.224 -1.524 1.00 0.00 O ATOM 968 CB ALA A 63 -1.315 -1.746 -0.254 1.00 0.00 C ATOM 0 H ALA A 63 -0.031 -0.707 -2.384 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.746 -1.770 -1.853 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -2.069 -1.712 0.532 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -1.014 -2.780 -0.424 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.447 -1.161 0.050 1.00 0.00 H new ATOM 974 N ARG A 64 -3.626 0.378 -0.845 1.00 0.00 N ATOM 975 CA ARG A 64 -4.206 1.667 -0.478 1.00 0.00 C ATOM 976 C ARG A 64 -5.294 1.459 0.572 1.00 0.00 C ATOM 977 O ARG A 64 -6.254 0.723 0.337 1.00 0.00 O ATOM 978 CB ARG A 64 -4.793 2.377 -1.707 1.00 0.00 C ATOM 979 CG ARG A 64 -5.331 3.774 -1.403 1.00 0.00 C ATOM 980 CD ARG A 64 -6.005 4.413 -2.611 1.00 0.00 C ATOM 981 NE ARG A 64 -6.446 5.780 -2.322 1.00 0.00 N ATOM 982 CZ ARG A 64 -7.667 6.253 -2.576 1.00 0.00 C ATOM 983 NH1 ARG A 64 -8.580 5.491 -3.167 1.00 0.00 N ATOM 984 NH2 ARG A 64 -7.967 7.501 -2.247 1.00 0.00 N ATOM 0 H ARG A 64 -4.258 -0.413 -0.720 1.00 0.00 H new ATOM 0 HA ARG A 64 -3.417 2.297 -0.067 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -4.024 2.452 -2.476 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -5.598 1.768 -2.119 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -6.045 3.715 -0.581 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -4.512 4.411 -1.068 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -5.312 4.424 -3.452 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -6.861 3.810 -2.912 1.00 0.00 H new ATOM 0 HE ARG A 64 -5.771 6.415 -1.896 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -8.351 4.533 -3.432 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -9.510 5.864 -3.356 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -7.266 8.094 -1.802 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -8.899 7.869 -2.438 1.00 0.00 H new ATOM 998 N LYS A 65 -5.130 2.091 1.728 1.00 0.00 N ATOM 999 CA LYS A 65 -6.097 1.980 2.817 1.00 0.00 C ATOM 1000 C LYS A 65 -7.203 3.020 2.668 1.00 0.00 C ATOM 1001 O LYS A 65 -6.933 4.224 2.626 1.00 0.00 O ATOM 1002 CB LYS A 65 -5.395 2.154 4.175 1.00 0.00 C ATOM 1003 CG LYS A 65 -6.344 2.293 5.366 1.00 0.00 C ATOM 1004 CD LYS A 65 -7.230 1.064 5.549 1.00 0.00 C ATOM 1005 CE LYS A 65 -8.166 1.217 6.744 1.00 0.00 C ATOM 1006 NZ LYS A 65 -9.139 2.332 6.567 1.00 0.00 N ATOM 0 H LYS A 65 -4.331 2.690 1.938 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.545 0.987 2.772 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -4.742 1.298 4.345 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -4.757 3.037 4.130 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -5.763 2.457 6.273 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -6.972 3.173 5.226 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -7.817 0.901 4.645 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -6.605 0.182 5.687 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -8.710 0.285 6.897 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -7.576 1.393 7.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -9.660 2.483 7.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -8.628 3.202 6.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -9.809 2.091 5.809 1.00 0.00 H new ATOM 1020 N LEU A 66 -8.442 2.548 2.576 1.00 0.00 N ATOM 1021 CA LEU A 66 -9.599 3.430 2.593 1.00 0.00 C ATOM 1022 C LEU A 66 -10.036 3.621 4.048 1.00 0.00 C ATOM 1023 O LEU A 66 -10.871 2.829 4.532 1.00 0.00 O ATOM 1024 CB LEU A 66 -10.762 2.861 1.748 1.00 0.00 C ATOM 1025 CG LEU A 66 -10.468 2.619 0.251 1.00 0.00 C ATOM 1026 CD1 LEU A 66 -9.800 3.837 -0.387 1.00 0.00 C ATOM 1027 CD2 LEU A 66 -9.627 1.361 0.048 1.00 0.00 C ATOM 1028 OXT LEU A 66 -9.498 4.522 4.722 1.00 0.00 O ATOM 0 H LEU A 66 -8.669 1.557 2.489 1.00 0.00 H new ATOM 0 HA LEU A 66 -9.326 4.388 2.151 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -11.076 1.916 2.192 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -11.607 3.546 1.824 1.00 0.00 H new ATOM 0 HG LEU A 66 -11.423 2.464 -0.251 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -9.606 3.635 -1.440 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -10.458 4.701 -0.298 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -8.859 4.044 0.122 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -9.437 1.218 -1.016 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -8.679 1.468 0.575 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -10.164 0.497 0.440 1.00 0.00 H new TER 1040 LEU A 66