USER MOD reduce.3.24.130724 H: found=0, std=0, add=459, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 459 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 Single : A 1 VAL N :NH3+ 177:sc= -0.0565 (180deg=-0.0991) USER MOD Single : A 5 TYR OH : rot -156:sc= 0.27 USER MOD Single : A 8 LYS NZ :NH3+ 133:sc= -0.425 (180deg=-2.33!) USER MOD Single : A 9 ASN : amide:sc= 0.216 X(o=0.22,f=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -1.51 K(o=-1.5,f=-2.4) USER MOD Single : A 14 TYR OH : rot 180:sc= -0.0908 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -0.436 X(o=-0.44,f=0) USER MOD Single : A 27 THR OG1 : rot -135:sc= 1.2 USER MOD Single : A 28 LYS NZ :NH3+ -155:sc= 0.482 (180deg=-0.1) USER MOD Single : A 29 ASN : amide:sc= -0.215 X(o=-0.21,f=-0.14) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot -104:sc= 0.241 USER MOD Single : A 37 GLN : amide:sc= -1.37! C(o=-1.4!,f=-2!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 TYR OH : rot -28:sc= 0.84 USER MOD Single : A 44 ASN : amide:sc= -3.66! C(o=-3.7!,f=-3.9!) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -0.514 K(o=-0.51,f=-6.1!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS : no HE2:sc= -0.423 K(o=-0.42,f=-4.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -1.183 -13.326 -5.234 1.00 0.00 N ATOM 2 CA VAL A 1 -0.452 -12.184 -4.647 1.00 0.00 C ATOM 3 C VAL A 1 -0.684 -11.001 -5.606 1.00 0.00 C ATOM 4 O VAL A 1 -1.201 -11.247 -6.681 1.00 0.00 O ATOM 5 CB VAL A 1 1.079 -12.459 -4.591 1.00 0.00 C ATOM 6 CG1 VAL A 1 1.437 -13.534 -3.594 1.00 0.00 C ATOM 7 CG2 VAL A 1 1.590 -12.891 -5.946 1.00 0.00 C ATOM 0 H1 VAL A 1 -1.023 -14.175 -4.655 1.00 0.00 H new ATOM 0 H2 VAL A 1 -2.200 -13.111 -5.259 1.00 0.00 H new ATOM 0 H3 VAL A 1 -0.841 -13.497 -6.201 1.00 0.00 H new ATOM 0 HA VAL A 1 -0.801 -11.997 -3.632 1.00 0.00 H new ATOM 0 HB VAL A 1 1.544 -11.523 -4.281 1.00 0.00 H new ATOM 0 HG11 VAL A 1 2.516 -13.686 -3.595 1.00 0.00 H new ATOM 0 HG12 VAL A 1 1.115 -13.229 -2.598 1.00 0.00 H new ATOM 0 HG13 VAL A 1 0.939 -14.464 -3.867 1.00 0.00 H new ATOM 0 HG21 VAL A 1 2.662 -13.079 -5.888 1.00 0.00 H new ATOM 0 HG22 VAL A 1 1.078 -13.803 -6.254 1.00 0.00 H new ATOM 0 HG23 VAL A 1 1.399 -12.104 -6.675 1.00 0.00 H new ATOM 19 N ARG A 2 -0.322 -9.792 -5.232 1.00 0.00 N ATOM 20 CA ARG A 2 -0.514 -8.610 -6.140 1.00 0.00 C ATOM 21 C ARG A 2 0.424 -7.441 -5.800 1.00 0.00 C ATOM 22 O ARG A 2 1.155 -7.492 -4.836 1.00 0.00 O ATOM 23 CB ARG A 2 -1.986 -8.091 -6.090 1.00 0.00 C ATOM 24 CG ARG A 2 -2.432 -7.674 -4.677 1.00 0.00 C ATOM 25 CD ARG A 2 -2.938 -8.912 -3.934 1.00 0.00 C ATOM 26 NE ARG A 2 -3.887 -8.510 -2.851 1.00 0.00 N ATOM 27 CZ ARG A 2 -5.011 -9.157 -2.668 1.00 0.00 C ATOM 28 NH1 ARG A 2 -5.196 -10.365 -3.124 1.00 0.00 N ATOM 29 NH2 ARG A 2 -5.943 -8.562 -2.003 1.00 0.00 N ATOM 0 H ARG A 2 0.101 -9.572 -4.330 1.00 0.00 H new ATOM 0 HA ARG A 2 -0.275 -8.968 -7.141 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -2.088 -7.239 -6.763 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -2.652 -8.870 -6.460 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -1.600 -7.223 -4.136 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -3.219 -6.922 -4.736 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -3.435 -9.586 -4.632 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -2.097 -9.458 -3.507 1.00 0.00 H new ATOM 0 HE ARG A 2 -3.656 -7.721 -2.247 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -4.453 -10.834 -3.641 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -6.084 -10.840 -2.964 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -5.790 -7.621 -1.641 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -6.833 -9.033 -1.839 1.00 0.00 H new ATOM 43 N ASP A 3 0.364 -6.429 -6.613 1.00 0.00 N ATOM 44 CA ASP A 3 1.176 -5.191 -6.464 1.00 0.00 C ATOM 45 C ASP A 3 0.038 -4.186 -6.400 1.00 0.00 C ATOM 46 O ASP A 3 -0.730 -4.107 -7.346 1.00 0.00 O ATOM 47 CB ASP A 3 2.082 -5.040 -7.712 1.00 0.00 C ATOM 48 CG ASP A 3 3.453 -5.487 -7.226 1.00 0.00 C ATOM 49 OD1 ASP A 3 3.640 -6.690 -7.152 1.00 0.00 O ATOM 50 OD2 ASP A 3 4.219 -4.587 -6.932 1.00 0.00 O ATOM 0 H ASP A 3 -0.254 -6.410 -7.424 1.00 0.00 H new ATOM 0 HA ASP A 3 1.867 -5.120 -5.624 1.00 0.00 H new ATOM 0 HB2 ASP A 3 1.730 -5.658 -8.538 1.00 0.00 H new ATOM 0 HB3 ASP A 3 2.101 -4.010 -8.070 1.00 0.00 H new ATOM 55 N ALA A 4 -0.054 -3.469 -5.312 1.00 0.00 N ATOM 56 CA ALA A 4 -1.155 -2.468 -5.151 1.00 0.00 C ATOM 57 C ALA A 4 -0.989 -1.571 -3.917 1.00 0.00 C ATOM 58 O ALA A 4 -0.025 -1.695 -3.176 1.00 0.00 O ATOM 59 CB ALA A 4 -2.448 -3.237 -5.049 1.00 0.00 C ATOM 0 H ALA A 4 0.588 -3.532 -4.522 1.00 0.00 H new ATOM 0 HA ALA A 4 -1.140 -1.799 -6.011 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -3.278 -2.540 -4.930 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -2.595 -3.824 -5.955 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -2.408 -3.903 -4.187 1.00 0.00 H new ATOM 65 N TYR A 5 -1.956 -0.700 -3.734 1.00 0.00 N ATOM 66 CA TYR A 5 -1.924 0.231 -2.566 1.00 0.00 C ATOM 67 C TYR A 5 -2.482 -0.693 -1.476 1.00 0.00 C ATOM 68 O TYR A 5 -3.638 -1.080 -1.547 1.00 0.00 O ATOM 69 CB TYR A 5 -2.881 1.435 -2.844 1.00 0.00 C ATOM 70 CG TYR A 5 -2.144 2.707 -3.388 1.00 0.00 C ATOM 71 CD1 TYR A 5 -0.921 2.656 -4.030 1.00 0.00 C ATOM 72 CD2 TYR A 5 -2.719 3.957 -3.260 1.00 0.00 C ATOM 73 CE1 TYR A 5 -0.305 3.809 -4.518 1.00 0.00 C ATOM 74 CE2 TYR A 5 -2.111 5.106 -3.743 1.00 0.00 C ATOM 75 CZ TYR A 5 -0.890 5.056 -4.379 1.00 0.00 C ATOM 76 OH TYR A 5 -0.286 6.216 -4.865 1.00 0.00 O ATOM 0 H TYR A 5 -2.765 -0.596 -4.346 1.00 0.00 H new ATOM 0 HA TYR A 5 -0.957 0.672 -2.324 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -3.639 1.128 -3.565 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -3.404 1.694 -1.923 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -0.431 1.702 -4.157 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -3.676 4.042 -2.766 1.00 0.00 H new ATOM 0 HE1 TYR A 5 0.650 3.727 -5.016 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -2.604 6.059 -3.618 1.00 0.00 H new ATOM 0 HH TYR A 5 -0.623 6.992 -4.371 1.00 0.00 H new ATOM 86 N ILE A 6 -1.689 -1.013 -0.498 1.00 0.00 N ATOM 87 CA ILE A 6 -2.246 -1.918 0.553 1.00 0.00 C ATOM 88 C ILE A 6 -3.284 -1.152 1.365 1.00 0.00 C ATOM 89 O ILE A 6 -3.163 0.033 1.622 1.00 0.00 O ATOM 90 CB ILE A 6 -1.107 -2.418 1.446 1.00 0.00 C ATOM 91 CG1 ILE A 6 -1.622 -3.193 2.667 1.00 0.00 C ATOM 92 CG2 ILE A 6 -0.201 -1.306 1.910 1.00 0.00 C ATOM 93 CD1 ILE A 6 -0.986 -4.557 2.670 1.00 0.00 C ATOM 0 H ILE A 6 -0.723 -0.708 -0.376 1.00 0.00 H new ATOM 0 HA ILE A 6 -2.728 -2.783 0.096 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.528 -3.095 0.817 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -1.377 -2.659 3.585 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -2.708 -3.281 2.629 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.588 -1.718 2.539 1.00 0.00 H new ATOM 0 HG22 ILE A 6 0.244 -0.815 1.045 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -0.779 -0.580 2.482 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -1.341 -5.122 3.532 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -1.253 -5.085 1.755 1.00 0.00 H new ATOM 0 HD13 ILE A 6 0.098 -4.453 2.726 1.00 0.00 H new ATOM 105 N ALA A 7 -4.293 -1.869 1.766 1.00 0.00 N ATOM 106 CA ALA A 7 -5.366 -1.192 2.567 1.00 0.00 C ATOM 107 C ALA A 7 -5.122 -1.310 4.084 1.00 0.00 C ATOM 108 O ALA A 7 -4.179 -1.943 4.518 1.00 0.00 O ATOM 109 CB ALA A 7 -6.701 -1.823 2.263 1.00 0.00 C ATOM 0 H ALA A 7 -4.427 -2.864 1.585 1.00 0.00 H new ATOM 0 HA ALA A 7 -5.353 -0.138 2.290 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -7.478 -1.329 2.846 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -6.921 -1.715 1.201 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -6.671 -2.881 2.522 1.00 0.00 H new ATOM 115 N LYS A 8 -5.991 -0.694 4.841 1.00 0.00 N ATOM 116 CA LYS A 8 -5.900 -0.712 6.326 1.00 0.00 C ATOM 117 C LYS A 8 -7.191 -1.329 6.890 1.00 0.00 C ATOM 118 O LYS A 8 -7.173 -2.412 7.437 1.00 0.00 O ATOM 119 CB LYS A 8 -5.707 0.727 6.748 1.00 0.00 C ATOM 120 CG LYS A 8 -4.701 0.876 7.887 1.00 0.00 C ATOM 121 CD LYS A 8 -5.352 0.547 9.244 1.00 0.00 C ATOM 122 CE LYS A 8 -4.659 1.404 10.320 1.00 0.00 C ATOM 123 NZ LYS A 8 -4.773 2.845 9.920 1.00 0.00 N ATOM 0 H LYS A 8 -6.783 -0.164 4.477 1.00 0.00 H new ATOM 0 HA LYS A 8 -5.073 -1.314 6.703 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -5.369 1.311 5.892 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -6.666 1.142 7.059 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -3.852 0.214 7.717 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -4.312 1.894 7.903 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -6.421 0.760 9.216 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -5.244 -0.513 9.472 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -5.124 1.242 11.292 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -3.611 1.118 10.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -5.085 3.408 10.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -3.847 3.189 9.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -5.466 2.938 9.151 1.00 0.00 H new ATOM 137 N ASN A 9 -8.273 -0.605 6.738 1.00 0.00 N ATOM 138 CA ASN A 9 -9.605 -1.085 7.237 1.00 0.00 C ATOM 139 C ASN A 9 -10.702 -0.846 6.165 1.00 0.00 C ATOM 140 O ASN A 9 -11.352 -1.763 5.711 1.00 0.00 O ATOM 141 CB ASN A 9 -9.953 -0.328 8.540 1.00 0.00 C ATOM 142 CG ASN A 9 -11.015 -1.134 9.295 1.00 0.00 C ATOM 143 OD1 ASN A 9 -10.714 -1.856 10.223 1.00 0.00 O ATOM 144 ND2 ASN A 9 -12.261 -1.051 8.932 1.00 0.00 N ATOM 0 H ASN A 9 -8.293 0.309 6.285 1.00 0.00 H new ATOM 0 HA ASN A 9 -9.556 -2.155 7.438 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -9.062 -0.203 9.156 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -10.325 0.671 8.311 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -12.973 -1.589 9.426 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -12.526 -0.448 8.154 1.00 0.00 H new ATOM 151 N TYR A 10 -10.877 0.394 5.770 1.00 0.00 N ATOM 152 CA TYR A 10 -11.911 0.768 4.742 1.00 0.00 C ATOM 153 C TYR A 10 -11.371 1.454 3.458 1.00 0.00 C ATOM 154 O TYR A 10 -11.730 2.551 3.057 1.00 0.00 O ATOM 155 CB TYR A 10 -12.943 1.676 5.443 1.00 0.00 C ATOM 156 CG TYR A 10 -14.087 0.858 6.064 1.00 0.00 C ATOM 157 CD1 TYR A 10 -14.813 -0.022 5.285 1.00 0.00 C ATOM 158 CD2 TYR A 10 -14.408 0.990 7.399 1.00 0.00 C ATOM 159 CE1 TYR A 10 -15.838 -0.757 5.831 1.00 0.00 C ATOM 160 CE2 TYR A 10 -15.436 0.252 7.940 1.00 0.00 C ATOM 161 CZ TYR A 10 -16.155 -0.623 7.161 1.00 0.00 C ATOM 162 OH TYR A 10 -17.182 -1.359 7.711 1.00 0.00 O ATOM 0 H TYR A 10 -10.335 1.182 6.124 1.00 0.00 H new ATOM 0 HA TYR A 10 -12.346 -0.161 4.373 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -12.448 2.258 6.220 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -13.351 2.386 4.724 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -14.573 -0.133 4.238 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -13.851 1.675 8.022 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -16.397 -1.443 5.212 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -15.680 0.361 8.986 1.00 0.00 H new ATOM 0 HH TYR A 10 -17.268 -1.140 8.662 1.00 0.00 H new ATOM 172 N ASN A 11 -10.495 0.713 2.842 1.00 0.00 N ATOM 173 CA ASN A 11 -9.816 1.126 1.571 1.00 0.00 C ATOM 174 C ASN A 11 -8.989 2.405 1.680 1.00 0.00 C ATOM 175 O ASN A 11 -9.080 3.343 0.906 1.00 0.00 O ATOM 176 CB ASN A 11 -10.930 1.225 0.471 1.00 0.00 C ATOM 177 CG ASN A 11 -10.628 0.195 -0.642 1.00 0.00 C ATOM 178 OD1 ASN A 11 -10.123 -0.878 -0.405 1.00 0.00 O ATOM 179 ND2 ASN A 11 -10.908 0.441 -1.882 1.00 0.00 N ATOM 0 H ASN A 11 -10.206 -0.205 3.180 1.00 0.00 H new ATOM 0 HA ASN A 11 -9.070 0.376 1.309 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -11.910 1.031 0.908 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -10.960 2.232 0.055 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -10.701 -0.254 -2.599 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -11.335 1.330 -2.142 1.00 0.00 H new ATOM 186 N CYS A 12 -8.168 2.338 2.696 1.00 0.00 N ATOM 187 CA CYS A 12 -7.215 3.411 3.079 1.00 0.00 C ATOM 188 C CYS A 12 -5.842 2.743 3.128 1.00 0.00 C ATOM 189 O CYS A 12 -5.796 1.568 3.428 1.00 0.00 O ATOM 190 CB CYS A 12 -7.617 3.907 4.426 1.00 0.00 C ATOM 191 SG CYS A 12 -9.347 4.410 4.537 1.00 0.00 S ATOM 0 H CYS A 12 -8.123 1.526 3.311 1.00 0.00 H new ATOM 0 HA CYS A 12 -7.202 4.254 2.388 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -7.429 3.124 5.161 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -6.985 4.754 4.693 1.00 0.00 H new ATOM 196 N VAL A 13 -4.812 3.505 2.872 1.00 0.00 N ATOM 197 CA VAL A 13 -3.395 3.017 2.854 1.00 0.00 C ATOM 198 C VAL A 13 -2.604 3.601 4.029 1.00 0.00 C ATOM 199 O VAL A 13 -3.160 4.186 4.938 1.00 0.00 O ATOM 200 CB VAL A 13 -2.784 3.464 1.488 1.00 0.00 C ATOM 201 CG1 VAL A 13 -3.445 2.806 0.306 1.00 0.00 C ATOM 202 CG2 VAL A 13 -2.873 4.964 1.332 1.00 0.00 C ATOM 0 H VAL A 13 -4.899 4.500 2.663 1.00 0.00 H new ATOM 0 HA VAL A 13 -3.354 1.933 2.959 1.00 0.00 H new ATOM 0 HB VAL A 13 -1.741 3.148 1.504 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -2.977 3.156 -0.614 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -3.332 1.724 0.381 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.505 3.060 0.294 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.442 5.256 0.374 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.918 5.272 1.369 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.323 5.447 2.140 1.00 0.00 H new ATOM 212 N TYR A 14 -1.314 3.424 3.956 1.00 0.00 N ATOM 213 CA TYR A 14 -0.358 3.909 4.968 1.00 0.00 C ATOM 214 C TYR A 14 0.314 5.052 4.235 1.00 0.00 C ATOM 215 O TYR A 14 1.105 4.820 3.339 1.00 0.00 O ATOM 216 CB TYR A 14 0.627 2.820 5.263 1.00 0.00 C ATOM 217 CG TYR A 14 -0.043 1.813 6.220 1.00 0.00 C ATOM 218 CD1 TYR A 14 -0.765 0.750 5.721 1.00 0.00 C ATOM 219 CD2 TYR A 14 0.054 1.969 7.592 1.00 0.00 C ATOM 220 CE1 TYR A 14 -1.382 -0.142 6.570 1.00 0.00 C ATOM 221 CE2 TYR A 14 -0.564 1.076 8.444 1.00 0.00 C ATOM 222 CZ TYR A 14 -1.285 0.016 7.933 1.00 0.00 C ATOM 223 OH TYR A 14 -1.921 -0.888 8.763 1.00 0.00 O ATOM 0 H TYR A 14 -0.868 2.931 3.183 1.00 0.00 H new ATOM 0 HA TYR A 14 -0.801 4.204 5.919 1.00 0.00 H new ATOM 0 HB2 TYR A 14 0.933 2.324 4.342 1.00 0.00 H new ATOM 0 HB3 TYR A 14 1.528 3.234 5.716 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -0.848 0.615 4.653 1.00 0.00 H new ATOM 0 HD2 TYR A 14 0.617 2.796 7.999 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -1.945 -0.969 6.164 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -0.483 1.207 9.513 1.00 0.00 H new ATOM 0 HH TYR A 14 -1.759 -0.644 9.698 1.00 0.00 H new ATOM 233 N GLU A 15 -0.025 6.249 4.619 1.00 0.00 N ATOM 234 CA GLU A 15 0.606 7.400 3.928 1.00 0.00 C ATOM 235 C GLU A 15 2.027 7.511 4.495 1.00 0.00 C ATOM 236 O GLU A 15 2.305 8.203 5.459 1.00 0.00 O ATOM 237 CB GLU A 15 -0.232 8.644 4.218 1.00 0.00 C ATOM 238 CG GLU A 15 0.341 9.845 3.430 1.00 0.00 C ATOM 239 CD GLU A 15 -0.723 10.945 3.404 1.00 0.00 C ATOM 240 OE1 GLU A 15 -1.014 11.438 4.480 1.00 0.00 O ATOM 241 OE2 GLU A 15 -1.186 11.221 2.307 1.00 0.00 O ATOM 0 H GLU A 15 -0.691 6.475 5.358 1.00 0.00 H new ATOM 0 HA GLU A 15 0.656 7.283 2.845 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.270 8.471 3.934 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.225 8.859 5.286 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.254 10.209 3.901 1.00 0.00 H new ATOM 0 HG3 GLU A 15 0.604 9.545 2.416 1.00 0.00 H new ATOM 248 N CYS A 16 2.890 6.781 3.845 1.00 0.00 N ATOM 249 CA CYS A 16 4.323 6.741 4.234 1.00 0.00 C ATOM 250 C CYS A 16 5.257 7.533 3.314 1.00 0.00 C ATOM 251 O CYS A 16 5.008 7.712 2.139 1.00 0.00 O ATOM 252 CB CYS A 16 4.719 5.269 4.258 1.00 0.00 C ATOM 253 SG CYS A 16 4.573 4.295 2.739 1.00 0.00 S ATOM 0 H CYS A 16 2.654 6.198 3.042 1.00 0.00 H new ATOM 0 HA CYS A 16 4.432 7.224 5.205 1.00 0.00 H new ATOM 0 HB2 CYS A 16 5.757 5.213 4.586 1.00 0.00 H new ATOM 0 HB3 CYS A 16 4.116 4.779 5.022 1.00 0.00 H new ATOM 258 N PHE A 17 6.326 7.979 3.917 1.00 0.00 N ATOM 259 CA PHE A 17 7.375 8.775 3.202 1.00 0.00 C ATOM 260 C PHE A 17 8.713 8.065 3.314 1.00 0.00 C ATOM 261 O PHE A 17 9.737 8.620 2.966 1.00 0.00 O ATOM 262 CB PHE A 17 7.561 10.159 3.825 1.00 0.00 C ATOM 263 CG PHE A 17 6.428 11.145 3.528 1.00 0.00 C ATOM 264 CD1 PHE A 17 6.205 11.590 2.240 1.00 0.00 C ATOM 265 CD2 PHE A 17 5.626 11.612 4.546 1.00 0.00 C ATOM 266 CE1 PHE A 17 5.194 12.492 1.978 1.00 0.00 C ATOM 267 CE2 PHE A 17 4.618 12.512 4.287 1.00 0.00 C ATOM 268 CZ PHE A 17 4.401 12.953 3.002 1.00 0.00 C ATOM 0 H PHE A 17 6.524 7.821 4.905 1.00 0.00 H new ATOM 0 HA PHE A 17 7.048 8.876 2.167 1.00 0.00 H new ATOM 0 HB2 PHE A 17 7.655 10.048 4.905 1.00 0.00 H new ATOM 0 HB3 PHE A 17 8.499 10.583 3.465 1.00 0.00 H new ATOM 0 HD1 PHE A 17 6.826 11.230 1.433 1.00 0.00 H new ATOM 0 HD2 PHE A 17 5.790 11.269 5.557 1.00 0.00 H new ATOM 0 HE1 PHE A 17 5.026 12.836 0.968 1.00 0.00 H new ATOM 0 HE2 PHE A 17 3.996 12.873 5.093 1.00 0.00 H new ATOM 0 HZ PHE A 17 3.610 13.659 2.798 1.00 0.00 H new ATOM 278 N ARG A 18 8.697 6.856 3.797 1.00 0.00 N ATOM 279 CA ARG A 18 9.988 6.125 3.931 1.00 0.00 C ATOM 280 C ARG A 18 9.894 4.805 3.216 1.00 0.00 C ATOM 281 O ARG A 18 9.513 3.822 3.821 1.00 0.00 O ATOM 282 CB ARG A 18 10.322 5.845 5.403 1.00 0.00 C ATOM 283 CG ARG A 18 10.218 7.113 6.242 1.00 0.00 C ATOM 284 CD ARG A 18 10.483 6.750 7.715 1.00 0.00 C ATOM 285 NE ARG A 18 10.241 7.963 8.574 1.00 0.00 N ATOM 286 CZ ARG A 18 9.590 7.881 9.705 1.00 0.00 C ATOM 287 NH1 ARG A 18 9.671 6.759 10.364 1.00 0.00 N ATOM 288 NH2 ARG A 18 8.904 8.907 10.120 1.00 0.00 N ATOM 0 H ARG A 18 7.865 6.349 4.100 1.00 0.00 H new ATOM 0 HA ARG A 18 10.769 6.750 3.499 1.00 0.00 H new ATOM 0 HB2 ARG A 18 9.642 5.089 5.796 1.00 0.00 H new ATOM 0 HB3 ARG A 18 11.330 5.437 5.479 1.00 0.00 H new ATOM 0 HG2 ARG A 18 10.940 7.854 5.899 1.00 0.00 H new ATOM 0 HG3 ARG A 18 9.229 7.558 6.134 1.00 0.00 H new ATOM 0 HD2 ARG A 18 9.830 5.934 8.024 1.00 0.00 H new ATOM 0 HD3 ARG A 18 11.508 6.401 7.837 1.00 0.00 H new ATOM 0 HE ARG A 18 10.593 8.870 8.266 1.00 0.00 H new ATOM 0 HH11 ARG A 18 10.227 5.988 9.993 1.00 0.00 H new ATOM 0 HH12 ARG A 18 9.179 6.652 11.251 1.00 0.00 H new ATOM 0 HH21 ARG A 18 8.879 9.762 9.564 1.00 0.00 H new ATOM 0 HH22 ARG A 18 8.392 8.856 11.001 1.00 0.00 H new ATOM 302 N ASP A 19 10.223 4.816 1.960 1.00 0.00 N ATOM 303 CA ASP A 19 10.187 3.571 1.133 1.00 0.00 C ATOM 304 C ASP A 19 10.551 2.327 1.970 1.00 0.00 C ATOM 305 O ASP A 19 9.936 1.283 1.890 1.00 0.00 O ATOM 306 CB ASP A 19 11.157 3.790 -0.019 1.00 0.00 C ATOM 307 CG ASP A 19 10.602 3.151 -1.296 1.00 0.00 C ATOM 308 OD1 ASP A 19 9.499 3.536 -1.636 1.00 0.00 O ATOM 309 OD2 ASP A 19 11.292 2.326 -1.864 1.00 0.00 O ATOM 0 H ASP A 19 10.523 5.650 1.455 1.00 0.00 H new ATOM 0 HA ASP A 19 9.183 3.380 0.754 1.00 0.00 H new ATOM 0 HB2 ASP A 19 11.315 4.857 -0.175 1.00 0.00 H new ATOM 0 HB3 ASP A 19 12.127 3.356 0.223 1.00 0.00 H new ATOM 314 N SER A 20 11.566 2.502 2.781 1.00 0.00 N ATOM 315 CA SER A 20 12.075 1.414 3.677 1.00 0.00 C ATOM 316 C SER A 20 10.925 0.911 4.560 1.00 0.00 C ATOM 317 O SER A 20 10.673 -0.274 4.649 1.00 0.00 O ATOM 318 CB SER A 20 13.224 1.963 4.566 1.00 0.00 C ATOM 319 OG SER A 20 13.801 0.793 5.131 1.00 0.00 O ATOM 0 H SER A 20 12.078 3.380 2.862 1.00 0.00 H new ATOM 0 HA SER A 20 12.458 0.590 3.074 1.00 0.00 H new ATOM 0 HB2 SER A 20 13.951 2.525 3.979 1.00 0.00 H new ATOM 0 HB3 SER A 20 12.848 2.636 5.336 1.00 0.00 H new ATOM 0 HG SER A 20 14.547 1.045 5.715 1.00 0.00 H new ATOM 325 N TYR A 21 10.240 1.832 5.192 1.00 0.00 N ATOM 326 CA TYR A 21 9.092 1.466 6.085 1.00 0.00 C ATOM 327 C TYR A 21 8.229 0.501 5.296 1.00 0.00 C ATOM 328 O TYR A 21 7.760 -0.485 5.825 1.00 0.00 O ATOM 329 CB TYR A 21 8.284 2.727 6.446 1.00 0.00 C ATOM 330 CG TYR A 21 7.243 2.404 7.530 1.00 0.00 C ATOM 331 CD1 TYR A 21 7.648 2.145 8.828 1.00 0.00 C ATOM 332 CD2 TYR A 21 5.895 2.368 7.229 1.00 0.00 C ATOM 333 CE1 TYR A 21 6.720 1.858 9.807 1.00 0.00 C ATOM 334 CE2 TYR A 21 4.972 2.081 8.213 1.00 0.00 C ATOM 335 CZ TYR A 21 5.379 1.825 9.505 1.00 0.00 C ATOM 336 OH TYR A 21 4.454 1.557 10.493 1.00 0.00 O ATOM 0 H TYR A 21 10.428 2.833 5.128 1.00 0.00 H new ATOM 0 HA TYR A 21 9.438 1.016 7.015 1.00 0.00 H new ATOM 0 HB2 TYR A 21 8.956 3.509 6.800 1.00 0.00 H new ATOM 0 HB3 TYR A 21 7.785 3.114 5.557 1.00 0.00 H new ATOM 0 HD1 TYR A 21 8.699 2.168 9.076 1.00 0.00 H new ATOM 0 HD2 TYR A 21 5.563 2.565 6.220 1.00 0.00 H new ATOM 0 HE1 TYR A 21 7.048 1.658 10.816 1.00 0.00 H new ATOM 0 HE2 TYR A 21 3.920 2.057 7.969 1.00 0.00 H new ATOM 0 HH TYR A 21 3.552 1.573 10.110 1.00 0.00 H new ATOM 346 N CYS A 22 8.067 0.809 4.037 1.00 0.00 N ATOM 347 CA CYS A 22 7.232 -0.096 3.205 1.00 0.00 C ATOM 348 C CYS A 22 7.972 -1.430 3.088 1.00 0.00 C ATOM 349 O CYS A 22 7.395 -2.463 3.368 1.00 0.00 O ATOM 350 CB CYS A 22 7.027 0.482 1.842 1.00 0.00 C ATOM 351 SG CYS A 22 5.393 0.050 1.212 1.00 0.00 S ATOM 0 H CYS A 22 8.463 1.621 3.563 1.00 0.00 H new ATOM 0 HA CYS A 22 6.254 -0.229 3.667 1.00 0.00 H new ATOM 0 HB2 CYS A 22 7.133 1.566 1.880 1.00 0.00 H new ATOM 0 HB3 CYS A 22 7.795 0.110 1.164 1.00 0.00 H new ATOM 356 N ASN A 23 9.211 -1.359 2.666 1.00 0.00 N ATOM 357 CA ASN A 23 10.116 -2.562 2.495 1.00 0.00 C ATOM 358 C ASN A 23 9.951 -3.547 3.665 1.00 0.00 C ATOM 359 O ASN A 23 10.162 -4.736 3.514 1.00 0.00 O ATOM 360 CB ASN A 23 11.610 -2.103 2.419 1.00 0.00 C ATOM 361 CG ASN A 23 12.588 -3.249 2.140 1.00 0.00 C ATOM 362 OD1 ASN A 23 13.717 -3.263 2.580 1.00 0.00 O ATOM 363 ND2 ASN A 23 12.212 -4.241 1.402 1.00 0.00 N ATOM 0 H ASN A 23 9.660 -0.477 2.419 1.00 0.00 H new ATOM 0 HA ASN A 23 9.835 -3.064 1.569 1.00 0.00 H new ATOM 0 HB2 ASN A 23 11.711 -1.351 1.637 1.00 0.00 H new ATOM 0 HB3 ASN A 23 11.883 -1.624 3.359 1.00 0.00 H new ATOM 0 HD21 ASN A 23 12.859 -5.005 1.206 1.00 0.00 H new ATOM 0 HD22 ASN A 23 11.268 -4.260 1.016 1.00 0.00 H new ATOM 370 N ASP A 24 9.583 -3.018 4.800 1.00 0.00 N ATOM 371 CA ASP A 24 9.369 -3.822 6.035 1.00 0.00 C ATOM 372 C ASP A 24 7.847 -4.140 6.114 1.00 0.00 C ATOM 373 O ASP A 24 7.426 -5.272 6.222 1.00 0.00 O ATOM 374 CB ASP A 24 9.861 -2.961 7.227 1.00 0.00 C ATOM 375 CG ASP A 24 10.924 -3.685 8.063 1.00 0.00 C ATOM 376 OD1 ASP A 24 10.577 -4.749 8.544 1.00 0.00 O ATOM 377 OD2 ASP A 24 12.016 -3.146 8.180 1.00 0.00 O ATOM 0 H ASP A 24 9.416 -2.020 4.924 1.00 0.00 H new ATOM 0 HA ASP A 24 9.916 -4.765 6.045 1.00 0.00 H new ATOM 0 HB2 ASP A 24 10.272 -2.024 6.851 1.00 0.00 H new ATOM 0 HB3 ASP A 24 9.013 -2.705 7.863 1.00 0.00 H new ATOM 382 N LEU A 25 7.034 -3.121 6.055 1.00 0.00 N ATOM 383 CA LEU A 25 5.529 -3.218 6.112 1.00 0.00 C ATOM 384 C LEU A 25 4.831 -4.260 5.213 1.00 0.00 C ATOM 385 O LEU A 25 4.106 -5.135 5.651 1.00 0.00 O ATOM 386 CB LEU A 25 4.984 -1.817 5.768 1.00 0.00 C ATOM 387 CG LEU A 25 3.431 -1.753 5.642 1.00 0.00 C ATOM 388 CD1 LEU A 25 2.794 -1.946 6.995 1.00 0.00 C ATOM 389 CD2 LEU A 25 3.020 -0.410 5.088 1.00 0.00 C ATOM 0 H LEU A 25 7.367 -2.161 5.964 1.00 0.00 H new ATOM 0 HA LEU A 25 5.301 -3.573 7.117 1.00 0.00 H new ATOM 0 HB2 LEU A 25 5.305 -1.115 6.537 1.00 0.00 H new ATOM 0 HB3 LEU A 25 5.428 -1.486 4.829 1.00 0.00 H new ATOM 0 HG LEU A 25 3.100 -2.545 4.970 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.709 -1.900 6.896 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.081 -2.918 7.397 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.131 -1.160 7.671 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.934 -0.369 5.001 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.361 0.380 5.758 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.468 -0.270 4.104 1.00 0.00 H new ATOM 401 N CYS A 26 5.082 -4.110 3.950 1.00 0.00 N ATOM 402 CA CYS A 26 4.467 -5.030 2.942 1.00 0.00 C ATOM 403 C CYS A 26 4.877 -6.481 3.083 1.00 0.00 C ATOM 404 O CYS A 26 4.085 -7.416 3.136 1.00 0.00 O ATOM 405 CB CYS A 26 4.845 -4.455 1.617 1.00 0.00 C ATOM 406 SG CYS A 26 3.975 -2.922 1.241 1.00 0.00 S ATOM 0 H CYS A 26 5.689 -3.388 3.562 1.00 0.00 H new ATOM 0 HA CYS A 26 3.387 -5.078 3.082 1.00 0.00 H new ATOM 0 HB2 CYS A 26 5.919 -4.270 1.600 1.00 0.00 H new ATOM 0 HB3 CYS A 26 4.635 -5.186 0.836 1.00 0.00 H new ATOM 411 N THR A 27 6.159 -6.635 3.151 1.00 0.00 N ATOM 412 CA THR A 27 6.743 -7.981 3.296 1.00 0.00 C ATOM 413 C THR A 27 6.196 -8.486 4.637 1.00 0.00 C ATOM 414 O THR A 27 5.839 -9.642 4.715 1.00 0.00 O ATOM 415 CB THR A 27 8.245 -7.805 3.253 1.00 0.00 C ATOM 416 OG1 THR A 27 8.377 -6.661 4.087 1.00 0.00 O ATOM 417 CG2 THR A 27 8.702 -7.440 1.854 1.00 0.00 C ATOM 0 H THR A 27 6.836 -5.873 3.112 1.00 0.00 H new ATOM 0 HA THR A 27 6.494 -8.706 2.521 1.00 0.00 H new ATOM 0 HB THR A 27 8.814 -8.688 3.545 1.00 0.00 H new ATOM 0 HG1 THR A 27 8.989 -6.020 3.669 1.00 0.00 H new ATOM 0 HG21 THR A 27 9.785 -7.318 1.845 1.00 0.00 H new ATOM 0 HG22 THR A 27 8.420 -8.233 1.161 1.00 0.00 H new ATOM 0 HG23 THR A 27 8.229 -6.506 1.549 1.00 0.00 H new ATOM 425 N LYS A 28 6.136 -7.656 5.651 1.00 0.00 N ATOM 426 CA LYS A 28 5.584 -8.127 6.967 1.00 0.00 C ATOM 427 C LYS A 28 4.184 -8.795 6.794 1.00 0.00 C ATOM 428 O LYS A 28 3.785 -9.633 7.590 1.00 0.00 O ATOM 429 CB LYS A 28 5.506 -6.914 7.926 1.00 0.00 C ATOM 430 CG LYS A 28 5.106 -7.324 9.389 1.00 0.00 C ATOM 431 CD LYS A 28 3.562 -7.377 9.550 1.00 0.00 C ATOM 432 CE LYS A 28 3.116 -8.750 10.104 1.00 0.00 C ATOM 433 NZ LYS A 28 1.839 -9.141 9.435 1.00 0.00 N ATOM 0 H LYS A 28 6.441 -6.683 5.629 1.00 0.00 H new ATOM 0 HA LYS A 28 6.244 -8.888 7.385 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.472 -6.409 7.946 1.00 0.00 H new ATOM 0 HB3 LYS A 28 4.779 -6.198 7.542 1.00 0.00 H new ATOM 0 HG2 LYS A 28 5.534 -8.298 9.627 1.00 0.00 H new ATOM 0 HG3 LYS A 28 5.525 -6.610 10.098 1.00 0.00 H new ATOM 0 HD2 LYS A 28 3.234 -6.584 10.223 1.00 0.00 H new ATOM 0 HD3 LYS A 28 3.085 -7.196 8.587 1.00 0.00 H new ATOM 0 HE2 LYS A 28 3.885 -9.500 9.920 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.976 -8.695 11.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 1.312 -9.796 10.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 1.264 -8.292 9.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 2.050 -9.608 8.530 1.00 0.00 H new ATOM 447 N ASN A 29 3.459 -8.407 5.774 1.00 0.00 N ATOM 448 CA ASN A 29 2.098 -9.023 5.556 1.00 0.00 C ATOM 449 C ASN A 29 2.262 -10.319 4.728 1.00 0.00 C ATOM 450 O ASN A 29 1.369 -11.142 4.629 1.00 0.00 O ATOM 451 CB ASN A 29 1.202 -8.035 4.799 1.00 0.00 C ATOM 452 CG ASN A 29 -0.203 -8.106 5.385 1.00 0.00 C ATOM 453 OD1 ASN A 29 -0.753 -9.156 5.632 1.00 0.00 O ATOM 454 ND2 ASN A 29 -0.845 -7.004 5.633 1.00 0.00 N ATOM 0 H ASN A 29 3.737 -7.704 5.090 1.00 0.00 H new ATOM 0 HA ASN A 29 1.638 -9.256 6.517 1.00 0.00 H new ATOM 0 HB2 ASN A 29 1.597 -7.023 4.886 1.00 0.00 H new ATOM 0 HB3 ASN A 29 1.182 -8.280 3.737 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -1.786 -7.039 6.025 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -0.408 -6.104 5.436 1.00 0.00 H new ATOM 461 N GLY A 30 3.431 -10.427 4.157 1.00 0.00 N ATOM 462 CA GLY A 30 3.829 -11.591 3.314 1.00 0.00 C ATOM 463 C GLY A 30 4.117 -11.185 1.877 1.00 0.00 C ATOM 464 O GLY A 30 4.164 -12.033 1.009 1.00 0.00 O ATOM 0 H GLY A 30 4.161 -9.720 4.246 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.714 -12.062 3.742 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.034 -12.336 3.327 1.00 0.00 H new ATOM 468 N ALA A 31 4.299 -9.912 1.645 1.00 0.00 N ATOM 469 CA ALA A 31 4.583 -9.469 0.249 1.00 0.00 C ATOM 470 C ALA A 31 6.017 -9.913 -0.074 1.00 0.00 C ATOM 471 O ALA A 31 6.784 -10.210 0.825 1.00 0.00 O ATOM 472 CB ALA A 31 4.472 -7.965 0.190 1.00 0.00 C ATOM 0 H ALA A 31 4.264 -9.172 2.347 1.00 0.00 H new ATOM 0 HA ALA A 31 3.883 -9.898 -0.468 1.00 0.00 H new ATOM 0 HB1 ALA A 31 4.677 -7.625 -0.825 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.465 -7.663 0.478 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.194 -7.520 0.875 1.00 0.00 H new ATOM 478 N SER A 32 6.339 -9.932 -1.335 1.00 0.00 N ATOM 479 CA SER A 32 7.721 -10.355 -1.721 1.00 0.00 C ATOM 480 C SER A 32 8.581 -9.087 -1.631 1.00 0.00 C ATOM 481 O SER A 32 9.766 -9.194 -1.401 1.00 0.00 O ATOM 482 CB SER A 32 7.718 -10.931 -3.159 1.00 0.00 C ATOM 483 OG SER A 32 8.734 -11.928 -3.187 1.00 0.00 O ATOM 0 H SER A 32 5.721 -9.679 -2.106 1.00 0.00 H new ATOM 0 HA SER A 32 8.110 -11.139 -1.071 1.00 0.00 H new ATOM 0 HB2 SER A 32 6.746 -11.358 -3.406 1.00 0.00 H new ATOM 0 HB3 SER A 32 7.918 -10.150 -3.892 1.00 0.00 H new ATOM 0 HG SER A 32 8.774 -12.329 -4.080 1.00 0.00 H new ATOM 489 N SER A 33 7.996 -7.928 -1.822 1.00 0.00 N ATOM 490 CA SER A 33 8.809 -6.666 -1.733 1.00 0.00 C ATOM 491 C SER A 33 7.921 -5.573 -1.129 1.00 0.00 C ATOM 492 O SER A 33 6.748 -5.823 -0.904 1.00 0.00 O ATOM 493 CB SER A 33 9.288 -6.257 -3.143 1.00 0.00 C ATOM 494 OG SER A 33 10.661 -5.963 -2.930 1.00 0.00 O ATOM 0 H SER A 33 7.006 -7.798 -2.033 1.00 0.00 H new ATOM 0 HA SER A 33 9.688 -6.817 -1.106 1.00 0.00 H new ATOM 0 HB2 SER A 33 9.153 -7.061 -3.866 1.00 0.00 H new ATOM 0 HB3 SER A 33 8.742 -5.393 -3.522 1.00 0.00 H new ATOM 0 HG SER A 33 11.072 -5.689 -3.776 1.00 0.00 H new ATOM 500 N GLY A 34 8.476 -4.410 -0.883 1.00 0.00 N ATOM 501 CA GLY A 34 7.664 -3.300 -0.298 1.00 0.00 C ATOM 502 C GLY A 34 8.224 -1.895 -0.519 1.00 0.00 C ATOM 503 O GLY A 34 9.325 -1.635 -0.072 1.00 0.00 O ATOM 0 H GLY A 34 9.454 -4.183 -1.062 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.660 -3.344 -0.721 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.566 -3.470 0.774 1.00 0.00 H new ATOM 507 N TYR A 35 7.506 -1.029 -1.202 1.00 0.00 N ATOM 508 CA TYR A 35 8.030 0.364 -1.405 1.00 0.00 C ATOM 509 C TYR A 35 6.852 1.322 -1.271 1.00 0.00 C ATOM 510 O TYR A 35 5.718 0.972 -1.546 1.00 0.00 O ATOM 511 CB TYR A 35 8.711 0.499 -2.815 1.00 0.00 C ATOM 512 CG TYR A 35 7.908 0.250 -4.107 1.00 0.00 C ATOM 513 CD1 TYR A 35 7.219 1.276 -4.730 1.00 0.00 C ATOM 514 CD2 TYR A 35 7.904 -1.002 -4.684 1.00 0.00 C ATOM 515 CE1 TYR A 35 6.554 1.051 -5.920 1.00 0.00 C ATOM 516 CE2 TYR A 35 7.234 -1.218 -5.869 1.00 0.00 C ATOM 517 CZ TYR A 35 6.561 -0.199 -6.498 1.00 0.00 C ATOM 518 OH TYR A 35 5.930 -0.461 -7.702 1.00 0.00 O ATOM 0 H TYR A 35 6.596 -1.221 -1.621 1.00 0.00 H new ATOM 0 HA TYR A 35 8.790 0.599 -0.660 1.00 0.00 H new ATOM 0 HB2 TYR A 35 9.116 1.509 -2.879 1.00 0.00 H new ATOM 0 HB3 TYR A 35 9.559 -0.186 -2.828 1.00 0.00 H new ATOM 0 HD1 TYR A 35 7.201 2.259 -4.283 1.00 0.00 H new ATOM 0 HD2 TYR A 35 8.428 -1.817 -4.206 1.00 0.00 H new ATOM 0 HE1 TYR A 35 6.025 1.861 -6.400 1.00 0.00 H new ATOM 0 HE2 TYR A 35 7.238 -2.204 -6.310 1.00 0.00 H new ATOM 0 HH TYR A 35 5.090 -0.938 -7.534 1.00 0.00 H new ATOM 528 N CYS A 36 7.135 2.523 -0.850 1.00 0.00 N ATOM 529 CA CYS A 36 6.041 3.512 -0.688 1.00 0.00 C ATOM 530 C CYS A 36 5.943 4.129 -2.091 1.00 0.00 C ATOM 531 O CYS A 36 6.921 4.593 -2.642 1.00 0.00 O ATOM 532 CB CYS A 36 6.452 4.553 0.354 1.00 0.00 C ATOM 533 SG CYS A 36 6.460 4.005 2.078 1.00 0.00 S ATOM 0 H CYS A 36 8.069 2.858 -0.614 1.00 0.00 H new ATOM 0 HA CYS A 36 5.094 3.094 -0.345 1.00 0.00 H new ATOM 0 HB2 CYS A 36 7.451 4.910 0.104 1.00 0.00 H new ATOM 0 HB3 CYS A 36 5.778 5.406 0.270 1.00 0.00 H new ATOM 538 N GLN A 37 4.761 4.119 -2.619 1.00 0.00 N ATOM 539 CA GLN A 37 4.518 4.670 -3.968 1.00 0.00 C ATOM 540 C GLN A 37 3.502 5.777 -3.783 1.00 0.00 C ATOM 541 O GLN A 37 2.844 5.875 -2.769 1.00 0.00 O ATOM 542 CB GLN A 37 3.975 3.548 -4.839 1.00 0.00 C ATOM 543 CG GLN A 37 3.728 3.930 -6.322 1.00 0.00 C ATOM 544 CD GLN A 37 4.977 4.581 -6.901 1.00 0.00 C ATOM 545 OE1 GLN A 37 6.047 4.018 -6.968 1.00 0.00 O ATOM 546 NE2 GLN A 37 4.901 5.797 -7.341 1.00 0.00 N ATOM 0 H GLN A 37 3.932 3.742 -2.159 1.00 0.00 H new ATOM 0 HA GLN A 37 5.414 5.064 -4.448 1.00 0.00 H new ATOM 0 HB2 GLN A 37 4.674 2.712 -4.806 1.00 0.00 H new ATOM 0 HB3 GLN A 37 3.037 3.196 -4.409 1.00 0.00 H new ATOM 0 HG2 GLN A 37 3.469 3.041 -6.898 1.00 0.00 H new ATOM 0 HG3 GLN A 37 2.883 4.614 -6.395 1.00 0.00 H new ATOM 0 HE21 GLN A 37 4.015 6.300 -7.299 1.00 0.00 H new ATOM 0 HE22 GLN A 37 5.728 6.251 -7.729 1.00 0.00 H new ATOM 555 N TRP A 38 3.383 6.608 -4.766 1.00 0.00 N ATOM 556 CA TRP A 38 2.409 7.732 -4.704 1.00 0.00 C ATOM 557 C TRP A 38 1.899 7.927 -6.118 1.00 0.00 C ATOM 558 O TRP A 38 2.618 7.590 -7.043 1.00 0.00 O ATOM 559 CB TRP A 38 3.111 9.027 -4.162 1.00 0.00 C ATOM 560 CG TRP A 38 4.605 9.056 -4.495 1.00 0.00 C ATOM 561 CD1 TRP A 38 5.171 8.702 -5.683 1.00 0.00 C ATOM 562 CD2 TRP A 38 5.604 9.438 -3.640 1.00 0.00 C ATOM 563 NE1 TRP A 38 6.453 8.883 -5.487 1.00 0.00 N ATOM 564 CE2 TRP A 38 6.819 9.320 -4.306 1.00 0.00 C ATOM 565 CE3 TRP A 38 5.596 9.890 -2.327 1.00 0.00 C ATOM 566 CZ2 TRP A 38 8.020 9.647 -3.676 1.00 0.00 C ATOM 567 CZ3 TRP A 38 6.790 10.222 -1.688 1.00 0.00 C ATOM 568 CH2 TRP A 38 8.006 10.101 -2.357 1.00 0.00 C ATOM 0 H TRP A 38 3.926 6.561 -5.628 1.00 0.00 H new ATOM 0 HA TRP A 38 1.584 7.518 -4.025 1.00 0.00 H new ATOM 0 HB2 TRP A 38 2.628 9.906 -4.589 1.00 0.00 H new ATOM 0 HB3 TRP A 38 2.980 9.084 -3.081 1.00 0.00 H new ATOM 0 HD1 TRP A 38 4.677 8.353 -6.578 1.00 0.00 H new ATOM 0 HE1 TRP A 38 7.136 8.693 -6.220 1.00 0.00 H new ATOM 0 HE3 TRP A 38 4.659 9.985 -1.798 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 8.956 9.549 -4.207 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 6.772 10.575 -0.668 1.00 0.00 H new ATOM 0 HH2 TRP A 38 8.930 10.356 -1.859 1.00 0.00 H new ATOM 579 N ALA A 39 0.693 8.430 -6.226 1.00 0.00 N ATOM 580 CA ALA A 39 0.063 8.683 -7.545 1.00 0.00 C ATOM 581 C ALA A 39 -0.728 9.990 -7.553 1.00 0.00 C ATOM 582 O ALA A 39 -0.301 10.989 -8.093 1.00 0.00 O ATOM 583 CB ALA A 39 -0.828 7.507 -7.870 1.00 0.00 C ATOM 0 H ALA A 39 0.109 8.680 -5.428 1.00 0.00 H new ATOM 0 HA ALA A 39 0.838 8.789 -8.304 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -1.305 7.668 -8.837 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -0.230 6.597 -7.907 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.593 7.407 -7.101 1.00 0.00 H new ATOM 589 N GLY A 40 -1.872 9.931 -6.935 1.00 0.00 N ATOM 590 CA GLY A 40 -2.761 11.134 -6.854 1.00 0.00 C ATOM 591 C GLY A 40 -4.166 10.640 -6.603 1.00 0.00 C ATOM 592 O GLY A 40 -4.783 11.052 -5.639 1.00 0.00 O ATOM 0 H GLY A 40 -2.237 9.096 -6.477 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.438 11.797 -6.051 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.715 11.708 -7.779 1.00 0.00 H new ATOM 596 N LYS A 41 -4.631 9.767 -7.463 1.00 0.00 N ATOM 597 CA LYS A 41 -6.012 9.193 -7.326 1.00 0.00 C ATOM 598 C LYS A 41 -6.370 9.028 -5.835 1.00 0.00 C ATOM 599 O LYS A 41 -7.438 9.421 -5.417 1.00 0.00 O ATOM 600 CB LYS A 41 -6.066 7.816 -8.043 1.00 0.00 C ATOM 601 CG LYS A 41 -7.510 7.496 -8.525 1.00 0.00 C ATOM 602 CD LYS A 41 -7.851 8.336 -9.784 1.00 0.00 C ATOM 603 CE LYS A 41 -9.289 7.999 -10.269 1.00 0.00 C ATOM 604 NZ LYS A 41 -9.861 9.161 -11.013 1.00 0.00 N ATOM 0 H LYS A 41 -4.107 9.421 -8.267 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.734 9.869 -7.784 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.386 7.819 -8.895 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.724 7.035 -7.364 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.599 6.434 -8.752 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.223 7.712 -7.730 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.775 9.399 -9.555 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -7.132 8.128 -10.577 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -9.268 7.119 -10.912 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -9.922 7.755 -9.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -10.822 8.928 -11.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -9.896 9.991 -10.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -9.263 9.374 -11.837 1.00 0.00 H new ATOM 618 N TYR A 42 -5.455 8.446 -5.094 1.00 0.00 N ATOM 619 CA TYR A 42 -5.645 8.219 -3.618 1.00 0.00 C ATOM 620 C TYR A 42 -4.450 8.827 -2.828 1.00 0.00 C ATOM 621 O TYR A 42 -4.292 8.513 -1.660 1.00 0.00 O ATOM 622 CB TYR A 42 -5.705 6.687 -3.302 1.00 0.00 C ATOM 623 CG TYR A 42 -6.273 5.882 -4.468 1.00 0.00 C ATOM 624 CD1 TYR A 42 -7.584 5.975 -4.865 1.00 0.00 C ATOM 625 CD2 TYR A 42 -5.432 5.034 -5.170 1.00 0.00 C ATOM 626 CE1 TYR A 42 -8.038 5.236 -5.941 1.00 0.00 C ATOM 627 CE2 TYR A 42 -5.892 4.302 -6.238 1.00 0.00 C ATOM 628 CZ TYR A 42 -7.199 4.397 -6.632 1.00 0.00 C ATOM 629 OH TYR A 42 -7.671 3.651 -7.700 1.00 0.00 O ATOM 0 H TYR A 42 -4.563 8.110 -5.457 1.00 0.00 H new ATOM 0 HA TYR A 42 -6.579 8.696 -3.322 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -4.704 6.326 -3.067 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -6.319 6.524 -2.416 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -8.262 6.627 -4.335 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -4.397 4.947 -4.873 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -9.071 5.320 -6.244 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -5.218 3.647 -6.770 1.00 0.00 H new ATOM 0 HH TYR A 42 -8.626 3.470 -7.576 1.00 0.00 H new ATOM 639 N GLY A 43 -3.673 9.654 -3.480 1.00 0.00 N ATOM 640 CA GLY A 43 -2.496 10.281 -2.796 1.00 0.00 C ATOM 641 C GLY A 43 -1.237 9.385 -2.799 1.00 0.00 C ATOM 642 O GLY A 43 -0.828 8.798 -3.796 1.00 0.00 O ATOM 0 H GLY A 43 -3.801 9.923 -4.455 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -2.262 11.226 -3.285 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -2.765 10.514 -1.766 1.00 0.00 H new ATOM 646 N ASN A 44 -0.668 9.318 -1.618 1.00 0.00 N ATOM 647 CA ASN A 44 0.573 8.505 -1.383 1.00 0.00 C ATOM 648 C ASN A 44 0.156 7.217 -0.699 1.00 0.00 C ATOM 649 O ASN A 44 -0.896 7.189 -0.085 1.00 0.00 O ATOM 650 CB ASN A 44 1.525 9.237 -0.456 1.00 0.00 C ATOM 651 CG ASN A 44 2.675 8.308 -0.058 1.00 0.00 C ATOM 652 OD1 ASN A 44 3.651 8.225 -0.767 1.00 0.00 O ATOM 653 ND2 ASN A 44 2.601 7.600 1.032 1.00 0.00 N ATOM 0 H ASN A 44 -1.017 9.801 -0.790 1.00 0.00 H new ATOM 0 HA ASN A 44 1.071 8.321 -2.335 1.00 0.00 H new ATOM 0 HB2 ASN A 44 1.917 10.126 -0.950 1.00 0.00 H new ATOM 0 HB3 ASN A 44 0.993 9.575 0.434 1.00 0.00 H new ATOM 0 HD21 ASN A 44 3.366 6.976 1.288 1.00 0.00 H new ATOM 0 HD22 ASN A 44 1.778 7.670 1.630 1.00 0.00 H new ATOM 660 N ALA A 45 0.957 6.192 -0.795 1.00 0.00 N ATOM 661 CA ALA A 45 0.570 4.919 -0.137 1.00 0.00 C ATOM 662 C ALA A 45 1.734 3.945 -0.169 1.00 0.00 C ATOM 663 O ALA A 45 2.799 4.198 -0.701 1.00 0.00 O ATOM 664 CB ALA A 45 -0.565 4.291 -0.903 1.00 0.00 C ATOM 0 H ALA A 45 1.847 6.182 -1.292 1.00 0.00 H new ATOM 0 HA ALA A 45 0.280 5.131 0.892 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -0.853 3.355 -0.424 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.417 4.971 -0.914 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.247 4.092 -1.926 1.00 0.00 H new ATOM 670 N CYS A 46 1.482 2.816 0.415 1.00 0.00 N ATOM 671 CA CYS A 46 2.549 1.806 0.405 1.00 0.00 C ATOM 672 C CYS A 46 2.049 0.847 -0.682 1.00 0.00 C ATOM 673 O CYS A 46 0.913 0.392 -0.694 1.00 0.00 O ATOM 674 CB CYS A 46 2.644 1.136 1.741 1.00 0.00 C ATOM 675 SG CYS A 46 4.286 1.149 2.488 1.00 0.00 S ATOM 0 H CYS A 46 0.613 2.558 0.883 1.00 0.00 H new ATOM 0 HA CYS A 46 3.549 2.196 0.213 1.00 0.00 H new ATOM 0 HB2 CYS A 46 1.947 1.622 2.424 1.00 0.00 H new ATOM 0 HB3 CYS A 46 2.318 0.101 1.635 1.00 0.00 H new ATOM 680 N TRP A 47 2.982 0.597 -1.555 1.00 0.00 N ATOM 681 CA TRP A 47 2.759 -0.291 -2.711 1.00 0.00 C ATOM 682 C TRP A 47 3.399 -1.577 -2.283 1.00 0.00 C ATOM 683 O TRP A 47 4.615 -1.723 -2.268 1.00 0.00 O ATOM 684 CB TRP A 47 3.455 0.264 -3.947 1.00 0.00 C ATOM 685 CG TRP A 47 3.132 -0.589 -5.166 1.00 0.00 C ATOM 686 CD1 TRP A 47 3.781 -1.737 -5.553 1.00 0.00 C ATOM 687 CD2 TRP A 47 2.130 -0.327 -6.059 1.00 0.00 C ATOM 688 NE1 TRP A 47 3.139 -2.095 -6.635 1.00 0.00 N ATOM 689 CE2 TRP A 47 2.143 -1.324 -7.026 1.00 0.00 C ATOM 690 CE3 TRP A 47 1.191 0.698 -6.120 1.00 0.00 C ATOM 691 CZ2 TRP A 47 1.201 -1.291 -8.063 1.00 0.00 C ATOM 692 CZ3 TRP A 47 0.254 0.740 -7.151 1.00 0.00 C ATOM 693 CH2 TRP A 47 0.261 -0.256 -8.124 1.00 0.00 C ATOM 0 H TRP A 47 3.922 0.990 -1.506 1.00 0.00 H new ATOM 0 HA TRP A 47 1.707 -0.401 -2.973 1.00 0.00 H new ATOM 0 HB2 TRP A 47 3.137 1.292 -4.120 1.00 0.00 H new ATOM 0 HB3 TRP A 47 4.533 0.286 -3.786 1.00 0.00 H new ATOM 0 HD1 TRP A 47 4.619 -2.226 -5.078 1.00 0.00 H new ATOM 0 HE1 TRP A 47 3.398 -2.934 -7.154 1.00 0.00 H new ATOM 0 HE3 TRP A 47 1.188 1.467 -5.362 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 1.200 -2.065 -8.816 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -0.472 1.539 -7.195 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -0.460 -0.230 -8.927 1.00 0.00 H new ATOM 704 N CYS A 48 2.544 -2.494 -1.936 1.00 0.00 N ATOM 705 CA CYS A 48 3.150 -3.767 -1.511 1.00 0.00 C ATOM 706 C CYS A 48 3.300 -4.531 -2.790 1.00 0.00 C ATOM 707 O CYS A 48 2.417 -4.459 -3.629 1.00 0.00 O ATOM 708 CB CYS A 48 2.242 -4.435 -0.566 1.00 0.00 C ATOM 709 SG CYS A 48 2.079 -3.578 1.014 1.00 0.00 S ATOM 0 H CYS A 48 1.526 -2.425 -1.928 1.00 0.00 H new ATOM 0 HA CYS A 48 4.105 -3.664 -0.996 1.00 0.00 H new ATOM 0 HB2 CYS A 48 1.257 -4.524 -1.024 1.00 0.00 H new ATOM 0 HB3 CYS A 48 2.602 -5.448 -0.384 1.00 0.00 H new ATOM 714 N TYR A 49 4.407 -5.222 -2.833 1.00 0.00 N ATOM 715 CA TYR A 49 4.779 -6.036 -4.017 1.00 0.00 C ATOM 716 C TYR A 49 4.613 -7.488 -3.724 1.00 0.00 C ATOM 717 O TYR A 49 5.180 -8.037 -2.800 1.00 0.00 O ATOM 718 CB TYR A 49 6.185 -5.750 -4.329 1.00 0.00 C ATOM 719 CG TYR A 49 6.764 -6.583 -5.464 1.00 0.00 C ATOM 720 CD1 TYR A 49 7.201 -7.869 -5.236 1.00 0.00 C ATOM 721 CD2 TYR A 49 6.849 -6.061 -6.729 1.00 0.00 C ATOM 722 CE1 TYR A 49 7.721 -8.617 -6.262 1.00 0.00 C ATOM 723 CE2 TYR A 49 7.365 -6.802 -7.753 1.00 0.00 C ATOM 724 CZ TYR A 49 7.804 -8.081 -7.520 1.00 0.00 C ATOM 725 OH TYR A 49 8.336 -8.840 -8.545 1.00 0.00 O ATOM 0 H TYR A 49 5.086 -5.254 -2.072 1.00 0.00 H new ATOM 0 HA TYR A 49 4.136 -5.787 -4.861 1.00 0.00 H new ATOM 0 HB2 TYR A 49 6.279 -4.695 -4.585 1.00 0.00 H new ATOM 0 HB3 TYR A 49 6.783 -5.915 -3.433 1.00 0.00 H new ATOM 0 HD1 TYR A 49 7.134 -8.291 -4.244 1.00 0.00 H new ATOM 0 HD2 TYR A 49 6.505 -5.055 -6.917 1.00 0.00 H new ATOM 0 HE1 TYR A 49 8.064 -9.625 -6.079 1.00 0.00 H new ATOM 0 HE2 TYR A 49 7.428 -6.382 -8.746 1.00 0.00 H new ATOM 0 HH TYR A 49 8.325 -8.321 -9.376 1.00 0.00 H new ATOM 735 N ALA A 50 3.834 -8.043 -4.587 1.00 0.00 N ATOM 736 CA ALA A 50 3.475 -9.482 -4.537 1.00 0.00 C ATOM 737 C ALA A 50 2.861 -9.703 -3.152 1.00 0.00 C ATOM 738 O ALA A 50 3.131 -10.683 -2.482 1.00 0.00 O ATOM 739 CB ALA A 50 4.721 -10.322 -4.717 1.00 0.00 C ATOM 0 H ALA A 50 3.408 -7.538 -5.364 1.00 0.00 H new ATOM 0 HA ALA A 50 2.778 -9.766 -5.326 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.456 -11.379 -4.680 1.00 0.00 H new ATOM 0 HB2 ALA A 50 5.176 -10.096 -5.681 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.429 -10.098 -3.920 1.00 0.00 H new ATOM 745 N LEU A 51 2.035 -8.778 -2.752 1.00 0.00 N ATOM 746 CA LEU A 51 1.352 -8.845 -1.444 1.00 0.00 C ATOM 747 C LEU A 51 0.519 -10.135 -1.609 1.00 0.00 C ATOM 748 O LEU A 51 -0.044 -10.301 -2.666 1.00 0.00 O ATOM 749 CB LEU A 51 0.515 -7.590 -1.365 1.00 0.00 C ATOM 750 CG LEU A 51 -0.018 -7.243 0.017 1.00 0.00 C ATOM 751 CD1 LEU A 51 -0.946 -8.316 0.517 1.00 0.00 C ATOM 752 CD2 LEU A 51 1.085 -7.129 1.042 1.00 0.00 C ATOM 0 H LEU A 51 1.802 -7.952 -3.303 1.00 0.00 H new ATOM 0 HA LEU A 51 1.959 -8.884 -0.540 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.113 -6.753 -1.725 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.330 -7.695 -2.045 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.530 -6.287 -0.096 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.315 -8.046 1.507 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.787 -8.418 -0.168 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.409 -9.263 0.575 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.656 -6.880 2.012 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.615 -8.079 1.113 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.781 -6.346 0.742 1.00 0.00 H new ATOM 764 N PRO A 52 0.465 -11.011 -0.630 1.00 0.00 N ATOM 765 CA PRO A 52 -0.503 -12.135 -0.552 1.00 0.00 C ATOM 766 C PRO A 52 -1.897 -11.810 -1.064 1.00 0.00 C ATOM 767 O PRO A 52 -2.229 -10.700 -1.427 1.00 0.00 O ATOM 768 CB PRO A 52 -0.517 -12.553 0.897 1.00 0.00 C ATOM 769 CG PRO A 52 0.781 -12.050 1.494 1.00 0.00 C ATOM 770 CD PRO A 52 1.367 -10.995 0.527 1.00 0.00 C ATOM 0 HA PRO A 52 -0.184 -12.939 -1.215 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -1.375 -12.127 1.417 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -0.594 -13.636 0.989 1.00 0.00 H new ATOM 0 HG2 PRO A 52 0.605 -11.612 2.477 1.00 0.00 H new ATOM 0 HG3 PRO A 52 1.482 -12.873 1.632 1.00 0.00 H new ATOM 0 HD2 PRO A 52 1.401 -10.009 0.990 1.00 0.00 H new ATOM 0 HD3 PRO A 52 2.387 -11.246 0.238 1.00 0.00 H new ATOM 778 N ASP A 53 -2.695 -12.831 -1.045 1.00 0.00 N ATOM 779 CA ASP A 53 -4.082 -12.642 -1.526 1.00 0.00 C ATOM 780 C ASP A 53 -5.128 -12.273 -0.500 1.00 0.00 C ATOM 781 O ASP A 53 -6.144 -11.702 -0.866 1.00 0.00 O ATOM 782 CB ASP A 53 -4.488 -13.927 -2.280 1.00 0.00 C ATOM 783 CG ASP A 53 -3.644 -13.961 -3.560 1.00 0.00 C ATOM 784 OD1 ASP A 53 -3.723 -13.003 -4.326 1.00 0.00 O ATOM 785 OD2 ASP A 53 -2.924 -14.925 -3.757 1.00 0.00 O ATOM 0 H ASP A 53 -2.455 -13.769 -0.725 1.00 0.00 H new ATOM 0 HA ASP A 53 -4.060 -11.758 -2.163 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -4.303 -14.811 -1.669 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -5.552 -13.919 -2.516 1.00 0.00 H new ATOM 790 N ASN A 54 -4.832 -12.592 0.733 1.00 0.00 N ATOM 791 CA ASN A 54 -5.757 -12.309 1.876 1.00 0.00 C ATOM 792 C ASN A 54 -5.779 -10.840 2.317 1.00 0.00 C ATOM 793 O ASN A 54 -6.425 -10.536 3.301 1.00 0.00 O ATOM 794 CB ASN A 54 -5.336 -13.164 3.079 1.00 0.00 C ATOM 795 CG ASN A 54 -3.910 -12.761 3.461 1.00 0.00 C ATOM 796 OD1 ASN A 54 -2.990 -12.997 2.707 1.00 0.00 O ATOM 797 ND2 ASN A 54 -3.657 -12.157 4.585 1.00 0.00 N ATOM 0 H ASN A 54 -3.962 -13.050 1.005 1.00 0.00 H new ATOM 0 HA ASN A 54 -6.760 -12.551 1.524 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -6.015 -13.006 3.917 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -5.380 -14.224 2.829 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -2.700 -11.892 4.817 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -4.416 -11.949 5.234 1.00 0.00 H new ATOM 804 N VAL A 55 -5.104 -9.964 1.619 1.00 0.00 N ATOM 805 CA VAL A 55 -5.122 -8.527 2.049 1.00 0.00 C ATOM 806 C VAL A 55 -5.841 -7.635 1.031 1.00 0.00 C ATOM 807 O VAL A 55 -5.230 -7.194 0.073 1.00 0.00 O ATOM 808 CB VAL A 55 -3.684 -8.014 2.233 1.00 0.00 C ATOM 809 CG1 VAL A 55 -3.748 -6.617 2.802 1.00 0.00 C ATOM 810 CG2 VAL A 55 -2.973 -8.921 3.208 1.00 0.00 C ATOM 0 H VAL A 55 -4.551 -10.171 0.787 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.665 -8.479 2.993 1.00 0.00 H new ATOM 0 HB VAL A 55 -3.151 -8.004 1.282 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.737 -6.234 2.941 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -4.291 -5.969 2.114 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.263 -6.639 3.763 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.950 -8.572 3.351 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -3.497 -8.910 4.164 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -2.958 -9.937 2.815 1.00 0.00 H new ATOM 820 N PRO A 56 -7.113 -7.374 1.241 1.00 0.00 N ATOM 821 CA PRO A 56 -7.881 -6.542 0.292 1.00 0.00 C ATOM 822 C PRO A 56 -7.152 -5.203 0.179 1.00 0.00 C ATOM 823 O PRO A 56 -7.183 -4.423 1.105 1.00 0.00 O ATOM 824 CB PRO A 56 -9.298 -6.412 0.879 1.00 0.00 C ATOM 825 CG PRO A 56 -9.295 -7.179 2.243 1.00 0.00 C ATOM 826 CD PRO A 56 -7.912 -7.838 2.415 1.00 0.00 C ATOM 0 HA PRO A 56 -7.961 -6.961 -0.711 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -9.561 -5.364 1.025 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -10.038 -6.835 0.200 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -9.496 -6.493 3.066 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -10.081 -7.934 2.258 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -7.446 -7.537 3.353 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -7.992 -8.925 2.433 1.00 0.00 H new ATOM 834 N ILE A 57 -6.506 -4.968 -0.924 1.00 0.00 N ATOM 835 CA ILE A 57 -5.772 -3.675 -1.109 1.00 0.00 C ATOM 836 C ILE A 57 -6.839 -2.606 -1.435 1.00 0.00 C ATOM 837 O ILE A 57 -8.015 -2.914 -1.461 1.00 0.00 O ATOM 838 CB ILE A 57 -4.735 -3.874 -2.254 1.00 0.00 C ATOM 839 CG1 ILE A 57 -5.408 -4.017 -3.623 1.00 0.00 C ATOM 840 CG2 ILE A 57 -3.798 -5.018 -1.927 1.00 0.00 C ATOM 841 CD1 ILE A 57 -6.415 -5.137 -3.698 1.00 0.00 C ATOM 0 H ILE A 57 -6.450 -5.613 -1.712 1.00 0.00 H new ATOM 0 HA ILE A 57 -5.220 -3.354 -0.226 1.00 0.00 H new ATOM 0 HB ILE A 57 -4.127 -2.972 -2.326 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -5.904 -3.079 -3.872 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -4.640 -4.182 -4.379 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.080 -5.143 -2.737 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -3.266 -4.799 -1.001 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -4.373 -5.936 -1.807 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -6.846 -5.172 -4.698 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -5.922 -6.085 -3.482 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -7.206 -4.965 -2.968 1.00 0.00 H new ATOM 853 N ARG A 58 -6.410 -1.396 -1.682 1.00 0.00 N ATOM 854 CA ARG A 58 -7.421 -0.333 -1.988 1.00 0.00 C ATOM 855 C ARG A 58 -7.210 0.466 -3.270 1.00 0.00 C ATOM 856 O ARG A 58 -6.081 0.773 -3.610 1.00 0.00 O ATOM 857 CB ARG A 58 -7.436 0.608 -0.784 1.00 0.00 C ATOM 858 CG ARG A 58 -6.107 1.363 -0.621 1.00 0.00 C ATOM 859 CD ARG A 58 -6.147 2.660 -1.452 1.00 0.00 C ATOM 860 NE ARG A 58 -7.025 3.625 -0.700 1.00 0.00 N ATOM 861 CZ ARG A 58 -6.716 4.866 -0.477 1.00 0.00 C ATOM 862 NH1 ARG A 58 -5.481 5.247 -0.600 1.00 0.00 N ATOM 863 NH2 ARG A 58 -7.679 5.662 -0.139 1.00 0.00 N ATOM 0 H ARG A 58 -5.434 -1.100 -1.687 1.00 0.00 H new ATOM 0 HA ARG A 58 -8.369 -0.841 -2.167 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -8.248 1.326 -0.896 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -7.640 0.035 0.121 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -5.936 1.597 0.430 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -5.278 0.735 -0.947 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -5.145 3.068 -1.582 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -6.545 2.470 -2.449 1.00 0.00 H new ATOM 0 HE ARG A 58 -7.917 3.283 -0.344 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -4.764 4.574 -0.870 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -5.228 6.220 -0.427 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -8.631 5.305 -0.058 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -7.486 6.646 0.047 1.00 0.00 H new ATOM 877 N VAL A 59 -8.309 0.769 -3.937 1.00 0.00 N ATOM 878 CA VAL A 59 -8.285 1.572 -5.209 1.00 0.00 C ATOM 879 C VAL A 59 -9.577 2.386 -5.560 1.00 0.00 C ATOM 880 O VAL A 59 -9.938 2.462 -6.715 1.00 0.00 O ATOM 881 CB VAL A 59 -7.961 0.614 -6.402 1.00 0.00 C ATOM 882 CG1 VAL A 59 -6.472 0.389 -6.505 1.00 0.00 C ATOM 883 CG2 VAL A 59 -8.676 -0.697 -6.164 1.00 0.00 C ATOM 0 H VAL A 59 -9.243 0.485 -3.643 1.00 0.00 H new ATOM 0 HA VAL A 59 -7.520 2.329 -5.038 1.00 0.00 H new ATOM 0 HB VAL A 59 -8.298 1.058 -7.339 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -6.262 -0.280 -7.340 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -5.970 1.343 -6.669 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -6.107 -0.059 -5.581 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -8.464 -1.381 -6.985 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -8.330 -1.135 -5.228 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -9.750 -0.521 -6.107 1.00 0.00 H new ATOM 893 N PRO A 60 -10.237 3.007 -4.615 1.00 0.00 N ATOM 894 CA PRO A 60 -11.627 3.541 -4.815 1.00 0.00 C ATOM 895 C PRO A 60 -11.677 4.928 -5.464 1.00 0.00 C ATOM 896 O PRO A 60 -12.386 5.211 -6.409 1.00 0.00 O ATOM 897 CB PRO A 60 -12.200 3.538 -3.423 1.00 0.00 C ATOM 898 CG PRO A 60 -10.950 3.897 -2.538 1.00 0.00 C ATOM 899 CD PRO A 60 -9.731 3.252 -3.240 1.00 0.00 C ATOM 0 HA PRO A 60 -12.195 2.933 -5.519 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -12.999 4.271 -3.312 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -12.619 2.567 -3.159 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -10.827 4.977 -2.456 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -11.066 3.512 -1.525 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -8.866 3.915 -3.239 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -9.425 2.327 -2.751 1.00 0.00 H new ATOM 907 N GLY A 61 -10.875 5.747 -4.867 1.00 0.00 N ATOM 908 CA GLY A 61 -10.716 7.178 -5.271 1.00 0.00 C ATOM 909 C GLY A 61 -10.402 7.940 -4.001 1.00 0.00 C ATOM 910 O GLY A 61 -9.509 8.753 -3.926 1.00 0.00 O ATOM 0 H GLY A 61 -10.291 5.478 -4.075 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -9.914 7.290 -6.001 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -11.626 7.555 -5.737 1.00 0.00 H new ATOM 914 N LYS A 62 -11.166 7.639 -3.004 1.00 0.00 N ATOM 915 CA LYS A 62 -10.972 8.305 -1.688 1.00 0.00 C ATOM 916 C LYS A 62 -11.102 7.199 -0.618 1.00 0.00 C ATOM 917 O LYS A 62 -11.901 6.293 -0.769 1.00 0.00 O ATOM 918 CB LYS A 62 -12.070 9.387 -1.511 1.00 0.00 C ATOM 919 CG LYS A 62 -11.601 10.463 -0.497 1.00 0.00 C ATOM 920 CD LYS A 62 -10.845 11.582 -1.257 1.00 0.00 C ATOM 921 CE LYS A 62 -10.010 12.423 -0.272 1.00 0.00 C ATOM 922 NZ LYS A 62 -9.171 13.402 -1.034 1.00 0.00 N ATOM 0 H LYS A 62 -11.923 6.957 -3.037 1.00 0.00 H new ATOM 0 HA LYS A 62 -10.002 8.796 -1.606 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -12.290 9.853 -2.471 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -12.993 8.925 -1.162 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -12.458 10.880 0.031 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -10.951 10.014 0.254 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -10.195 11.143 -2.014 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -11.556 12.221 -1.780 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -10.667 12.952 0.418 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -9.374 11.773 0.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -8.608 13.969 -0.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -8.534 12.888 -1.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -9.787 14.030 -1.588 1.00 0.00 H new ATOM 936 N CYS A 63 -10.331 7.293 0.429 1.00 0.00 N ATOM 937 CA CYS A 63 -10.391 6.273 1.527 1.00 0.00 C ATOM 938 C CYS A 63 -11.679 6.609 2.299 1.00 0.00 C ATOM 939 O CYS A 63 -12.196 7.706 2.174 1.00 0.00 O ATOM 940 CB CYS A 63 -9.147 6.474 2.364 1.00 0.00 C ATOM 941 SG CYS A 63 -9.261 6.389 4.162 1.00 0.00 S ATOM 0 H CYS A 63 -9.652 8.040 0.577 1.00 0.00 H new ATOM 0 HA CYS A 63 -10.417 5.233 1.201 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -8.417 5.729 2.048 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -8.736 7.451 2.109 1.00 0.00 H new ATOM 946 N HIS A 64 -12.183 5.684 3.069 1.00 0.00 N ATOM 947 CA HIS A 64 -13.438 5.971 3.833 1.00 0.00 C ATOM 948 C HIS A 64 -13.637 4.914 4.937 1.00 0.00 C ATOM 949 O HIS A 64 -12.650 4.659 5.599 1.00 0.00 O ATOM 950 CB HIS A 64 -14.620 5.979 2.830 1.00 0.00 C ATOM 951 CG HIS A 64 -14.493 4.668 2.045 1.00 0.00 C ATOM 952 ND1 HIS A 64 -14.573 3.486 2.581 1.00 0.00 N ATOM 953 CD2 HIS A 64 -14.261 4.452 0.704 1.00 0.00 C ATOM 954 CE1 HIS A 64 -14.411 2.548 1.697 1.00 0.00 C ATOM 955 NE2 HIS A 64 -14.222 3.151 0.558 1.00 0.00 N ATOM 956 OXT HIS A 64 -14.742 4.406 5.073 1.00 0.00 O ATOM 0 H HIS A 64 -11.789 4.753 3.204 1.00 0.00 H new ATOM 0 HA HIS A 64 -13.379 6.942 4.324 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -15.576 6.035 3.350 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -14.567 6.842 2.166 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -14.742 3.316 3.572 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -14.137 5.199 -0.066 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -14.429 1.482 1.871 1.00 0.00 H new TER 965 HIS A 64