USER MOD reduce.3.24.130724 H: found=0, std=0, add=442, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 439 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 NoAdj-H: A 48 HIS HE2 : A 48 HIS NE2 : A 400 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 146:sc= 0.00263 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.0312 X(o=-0.031,f=0) USER MOD Single : A 16 ASN : amide:sc= -0.413 X(o=-0.41,f=-0.051) USER MOD Single : A 20 SER OG : rot -144:sc= -0.553 USER MOD Single : A 22 ASN : amide:sc= -1.29 K(o=-1.3,f=-0.49) USER MOD Single : A 23 LYS NZ :NH3+ -108:sc= 1.06 (180deg=-0.0372) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 81:sc= 1.42 USER MOD Single : A 37 THR OG1 : rot 170:sc= 0.00611 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HE2:sc= -3.84! C(o=-3.8!,f=-14!) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 148:sc= -0.0853 (180deg=-1.28!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.379) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.384 33.081 -11.197 1.00 0.00 N ATOM 2 CA GLY A 1 -8.815 32.004 -12.068 1.00 0.00 C ATOM 3 C GLY A 1 -7.815 30.866 -12.122 1.00 0.00 C ATOM 4 O GLY A 1 -6.607 31.096 -12.193 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.709 33.990 -11.582 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.787 32.943 -10.248 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.346 33.083 -11.135 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.776 31.623 -11.721 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.971 32.395 -13.074 1.00 0.00 H new ATOM 8 N SER A 2 -8.317 29.636 -12.087 1.00 0.00 N ATOM 9 CA SER A 2 -7.458 28.458 -12.127 1.00 0.00 C ATOM 10 C SER A 2 -8.240 27.231 -12.583 1.00 0.00 C ATOM 11 O SER A 2 -9.420 27.080 -12.268 1.00 0.00 O ATOM 12 CB SER A 2 -6.843 28.203 -10.750 1.00 0.00 C ATOM 13 OG SER A 2 -5.672 27.411 -10.853 1.00 0.00 O ATOM 0 H SER A 2 -9.314 29.429 -12.031 1.00 0.00 H new ATOM 0 HA SER A 2 -6.659 28.645 -12.845 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.602 29.154 -10.274 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.570 27.702 -10.111 1.00 0.00 H new ATOM 0 HG SER A 2 -5.297 27.264 -9.960 1.00 0.00 H new ATOM 19 N SER A 3 -7.573 26.355 -13.328 1.00 0.00 N ATOM 20 CA SER A 3 -8.205 25.141 -13.832 1.00 0.00 C ATOM 21 C SER A 3 -8.134 24.022 -12.798 1.00 0.00 C ATOM 22 O SER A 3 -7.283 24.035 -11.910 1.00 0.00 O ATOM 23 CB SER A 3 -7.534 24.693 -15.132 1.00 0.00 C ATOM 24 OG SER A 3 -6.232 24.191 -14.887 1.00 0.00 O ATOM 0 H SER A 3 -6.595 26.463 -13.596 1.00 0.00 H new ATOM 0 HA SER A 3 -9.254 25.363 -14.030 1.00 0.00 H new ATOM 0 HB2 SER A 3 -8.140 23.924 -15.611 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.479 25.533 -15.825 1.00 0.00 H new ATOM 0 HG SER A 3 -5.825 23.910 -15.733 1.00 0.00 H new ATOM 30 N GLY A 4 -9.037 23.053 -12.920 1.00 0.00 N ATOM 31 CA GLY A 4 -9.060 21.940 -11.990 1.00 0.00 C ATOM 32 C GLY A 4 -9.955 22.201 -10.795 1.00 0.00 C ATOM 33 O GLY A 4 -10.227 23.353 -10.455 1.00 0.00 O ATOM 0 H GLY A 4 -9.752 23.020 -13.646 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.403 21.045 -12.508 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.046 21.739 -11.644 1.00 0.00 H new ATOM 37 N SER A 5 -10.416 21.130 -10.157 1.00 0.00 N ATOM 38 CA SER A 5 -11.290 21.249 -8.996 1.00 0.00 C ATOM 39 C SER A 5 -11.384 19.923 -8.248 1.00 0.00 C ATOM 40 O SER A 5 -11.264 18.852 -8.844 1.00 0.00 O ATOM 41 CB SER A 5 -12.686 21.705 -9.427 1.00 0.00 C ATOM 42 OG SER A 5 -13.558 21.800 -8.314 1.00 0.00 O ATOM 0 H SER A 5 -10.199 20.170 -10.425 1.00 0.00 H new ATOM 0 HA SER A 5 -10.863 21.994 -8.325 1.00 0.00 H new ATOM 0 HB2 SER A 5 -12.619 22.673 -9.924 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.094 21.002 -10.153 1.00 0.00 H new ATOM 0 HG SER A 5 -14.443 22.095 -8.616 1.00 0.00 H new ATOM 48 N SER A 6 -11.600 20.002 -6.939 1.00 0.00 N ATOM 49 CA SER A 6 -11.707 18.809 -6.108 1.00 0.00 C ATOM 50 C SER A 6 -12.741 19.007 -5.004 1.00 0.00 C ATOM 51 O SER A 6 -12.876 20.098 -4.452 1.00 0.00 O ATOM 52 CB SER A 6 -10.348 18.467 -5.494 1.00 0.00 C ATOM 53 OG SER A 6 -9.410 18.115 -6.496 1.00 0.00 O ATOM 0 H SER A 6 -11.704 20.880 -6.431 1.00 0.00 H new ATOM 0 HA SER A 6 -12.031 17.983 -6.741 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.976 19.321 -4.927 1.00 0.00 H new ATOM 0 HB3 SER A 6 -10.460 17.642 -4.791 1.00 0.00 H new ATOM 0 HG SER A 6 -8.549 17.902 -6.078 1.00 0.00 H new ATOM 59 N GLY A 7 -13.470 17.941 -4.687 1.00 0.00 N ATOM 60 CA GLY A 7 -14.483 18.017 -3.651 1.00 0.00 C ATOM 61 C GLY A 7 -13.892 18.281 -2.280 1.00 0.00 C ATOM 62 O GLY A 7 -12.873 18.957 -2.139 1.00 0.00 O ATOM 0 H GLY A 7 -13.377 17.027 -5.129 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -15.191 18.809 -3.897 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -15.045 17.083 -3.627 1.00 0.00 H new ATOM 66 N PRO A 8 -14.541 17.740 -1.238 1.00 0.00 N ATOM 67 CA PRO A 8 -14.091 17.908 0.148 1.00 0.00 C ATOM 68 C PRO A 8 -12.799 17.151 0.434 1.00 0.00 C ATOM 69 O PRO A 8 -11.842 17.716 0.963 1.00 0.00 O ATOM 70 CB PRO A 8 -15.245 17.325 0.968 1.00 0.00 C ATOM 71 CG PRO A 8 -15.907 16.353 0.053 1.00 0.00 C ATOM 72 CD PRO A 8 -15.762 16.922 -1.331 1.00 0.00 C ATOM 0 HA PRO A 8 -13.867 18.949 0.381 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -14.881 16.834 1.871 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -15.938 18.104 1.286 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -15.439 15.371 0.122 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -16.957 16.225 0.314 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -15.663 16.136 -2.080 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -16.627 17.522 -1.611 1.00 0.00 H new ATOM 80 N SER A 9 -12.778 15.870 0.080 1.00 0.00 N ATOM 81 CA SER A 9 -11.603 15.035 0.302 1.00 0.00 C ATOM 82 C SER A 9 -11.778 13.666 -0.349 1.00 0.00 C ATOM 83 O SER A 9 -12.901 13.208 -0.563 1.00 0.00 O ATOM 84 CB SER A 9 -11.344 14.870 1.801 1.00 0.00 C ATOM 85 OG SER A 9 -12.362 14.096 2.412 1.00 0.00 O ATOM 0 H SER A 9 -13.561 15.388 -0.362 1.00 0.00 H new ATOM 0 HA SER A 9 -10.746 15.529 -0.156 1.00 0.00 H new ATOM 0 HB2 SER A 9 -10.377 14.392 1.956 1.00 0.00 H new ATOM 0 HB3 SER A 9 -11.294 15.850 2.275 1.00 0.00 H new ATOM 0 HG SER A 9 -12.173 14.004 3.369 1.00 0.00 H new ATOM 91 N ARG A 10 -10.661 13.019 -0.662 1.00 0.00 N ATOM 92 CA ARG A 10 -10.690 11.704 -1.290 1.00 0.00 C ATOM 93 C ARG A 10 -11.791 10.837 -0.686 1.00 0.00 C ATOM 94 O ARG A 10 -12.038 10.856 0.520 1.00 0.00 O ATOM 95 CB ARG A 10 -9.335 11.010 -1.132 1.00 0.00 C ATOM 96 CG ARG A 10 -9.000 10.063 -2.273 1.00 0.00 C ATOM 97 CD ARG A 10 -7.533 9.662 -2.251 1.00 0.00 C ATOM 98 NE ARG A 10 -6.648 10.817 -2.376 1.00 0.00 N ATOM 99 CZ ARG A 10 -6.208 11.522 -1.340 1.00 0.00 C ATOM 100 NH1 ARG A 10 -6.568 11.191 -0.108 1.00 0.00 N ATOM 101 NH2 ARG A 10 -5.405 12.560 -1.535 1.00 0.00 N ATOM 0 H ARG A 10 -9.724 13.384 -0.491 1.00 0.00 H new ATOM 0 HA ARG A 10 -10.900 11.840 -2.351 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -8.555 11.767 -1.058 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -9.328 10.453 -0.195 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -9.623 9.172 -2.202 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -9.234 10.541 -3.224 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -7.315 9.137 -1.321 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -7.336 8.964 -3.065 1.00 0.00 H new ATOM 0 HE ARG A 10 -6.351 11.098 -3.311 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -7.184 10.393 0.046 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -6.229 11.734 0.686 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -5.125 12.817 -2.481 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -5.068 13.101 -0.739 1.00 0.00 H new ATOM 115 N PRO A 11 -12.469 10.060 -1.543 1.00 0.00 N ATOM 116 CA PRO A 11 -13.555 9.172 -1.117 1.00 0.00 C ATOM 117 C PRO A 11 -13.049 7.992 -0.294 1.00 0.00 C ATOM 118 O PRO A 11 -11.936 8.020 0.231 1.00 0.00 O ATOM 119 CB PRO A 11 -14.154 8.685 -2.438 1.00 0.00 C ATOM 120 CG PRO A 11 -13.042 8.798 -3.423 1.00 0.00 C ATOM 121 CD PRO A 11 -12.229 9.987 -2.994 1.00 0.00 C ATOM 0 HA PRO A 11 -14.270 9.683 -0.472 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -14.508 7.657 -2.357 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -15.008 9.294 -2.734 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -12.435 7.893 -3.432 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -13.428 8.933 -4.433 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -11.171 9.853 -3.220 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -12.550 10.897 -3.501 1.00 0.00 H new ATOM 129 N VAL A 12 -13.874 6.956 -0.184 1.00 0.00 N ATOM 130 CA VAL A 12 -13.510 5.765 0.574 1.00 0.00 C ATOM 131 C VAL A 12 -12.492 4.921 -0.185 1.00 0.00 C ATOM 132 O VAL A 12 -12.635 3.703 -0.289 1.00 0.00 O ATOM 133 CB VAL A 12 -14.745 4.900 0.888 1.00 0.00 C ATOM 134 CG1 VAL A 12 -15.723 5.664 1.768 1.00 0.00 C ATOM 135 CG2 VAL A 12 -15.417 4.444 -0.399 1.00 0.00 C ATOM 0 H VAL A 12 -14.800 6.917 -0.611 1.00 0.00 H new ATOM 0 HA VAL A 12 -13.069 6.108 1.510 1.00 0.00 H new ATOM 0 HB VAL A 12 -14.418 4.015 1.434 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -16.589 5.037 1.979 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -15.235 5.935 2.704 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -16.047 6.568 1.252 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -16.288 3.834 -0.158 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -15.732 5.315 -0.974 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -14.713 3.856 -0.988 1.00 0.00 H new ATOM 145 N ARG A 13 -11.463 5.577 -0.712 1.00 0.00 N ATOM 146 CA ARG A 13 -10.420 4.887 -1.462 1.00 0.00 C ATOM 147 C ARG A 13 -9.778 3.790 -0.617 1.00 0.00 C ATOM 148 O ARG A 13 -9.195 4.046 0.437 1.00 0.00 O ATOM 149 CB ARG A 13 -9.353 5.880 -1.924 1.00 0.00 C ATOM 150 CG ARG A 13 -8.832 5.606 -3.325 1.00 0.00 C ATOM 151 CD ARG A 13 -8.092 4.280 -3.395 1.00 0.00 C ATOM 152 NE ARG A 13 -6.658 4.440 -3.164 1.00 0.00 N ATOM 153 CZ ARG A 13 -5.791 4.759 -4.118 1.00 0.00 C ATOM 154 NH1 ARG A 13 -6.210 4.952 -5.361 1.00 0.00 N ATOM 155 NH2 ARG A 13 -4.503 4.886 -3.830 1.00 0.00 N ATOM 0 H ARG A 13 -11.329 6.585 -0.633 1.00 0.00 H new ATOM 0 HA ARG A 13 -10.880 4.426 -2.336 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -9.768 6.888 -1.890 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -8.518 5.855 -1.224 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -9.665 5.597 -4.029 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -8.165 6.412 -3.631 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -8.504 3.595 -2.654 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -8.253 3.826 -4.373 1.00 0.00 H new ATOM 0 HE ARG A 13 -6.303 4.299 -2.218 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -7.200 4.856 -5.586 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -5.542 5.197 -6.092 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -4.177 4.739 -2.875 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -3.838 5.131 -4.564 1.00 0.00 H new ATOM 169 N PRO A 14 -9.888 2.539 -1.088 1.00 0.00 N ATOM 170 CA PRO A 14 -9.324 1.379 -0.392 1.00 0.00 C ATOM 171 C PRO A 14 -7.800 1.365 -0.429 1.00 0.00 C ATOM 172 O PRO A 14 -7.195 1.427 -1.499 1.00 0.00 O ATOM 173 CB PRO A 14 -9.889 0.189 -1.171 1.00 0.00 C ATOM 174 CG PRO A 14 -10.168 0.725 -2.533 1.00 0.00 C ATOM 175 CD PRO A 14 -10.569 2.162 -2.338 1.00 0.00 C ATOM 0 HA PRO A 14 -9.582 1.374 0.667 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -9.176 -0.634 -1.208 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -10.796 -0.196 -0.704 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -9.287 0.649 -3.171 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -10.963 0.160 -3.019 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -10.250 2.785 -3.173 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -11.650 2.270 -2.255 1.00 0.00 H new ATOM 183 N ASN A 15 -7.185 1.282 0.746 1.00 0.00 N ATOM 184 CA ASN A 15 -5.730 1.259 0.847 1.00 0.00 C ATOM 185 C ASN A 15 -5.229 -0.143 1.180 1.00 0.00 C ATOM 186 O ASN A 15 -4.134 -0.312 1.715 1.00 0.00 O ATOM 187 CB ASN A 15 -5.257 2.248 1.914 1.00 0.00 C ATOM 188 CG ASN A 15 -5.455 3.692 1.493 1.00 0.00 C ATOM 189 OD1 ASN A 15 -4.561 4.311 0.917 1.00 0.00 O ATOM 190 ND2 ASN A 15 -6.633 4.235 1.780 1.00 0.00 N ATOM 0 H ASN A 15 -7.671 1.230 1.641 1.00 0.00 H new ATOM 0 HA ASN A 15 -5.319 1.552 -0.119 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -5.800 2.065 2.841 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -4.201 2.075 2.123 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -6.825 5.203 1.521 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -7.345 3.684 2.259 1.00 0.00 H new ATOM 197 N ASN A 16 -6.040 -1.147 0.860 1.00 0.00 N ATOM 198 CA ASN A 16 -5.680 -2.535 1.125 1.00 0.00 C ATOM 199 C ASN A 16 -5.024 -3.170 -0.098 1.00 0.00 C ATOM 200 O ASN A 16 -5.685 -3.842 -0.889 1.00 0.00 O ATOM 201 CB ASN A 16 -6.919 -3.337 1.528 1.00 0.00 C ATOM 202 CG ASN A 16 -8.174 -2.851 0.830 1.00 0.00 C ATOM 203 OD1 ASN A 16 -8.273 -2.895 -0.396 1.00 0.00 O ATOM 204 ND2 ASN A 16 -9.142 -2.383 1.610 1.00 0.00 N ATOM 0 H ASN A 16 -6.951 -1.025 0.417 1.00 0.00 H new ATOM 0 HA ASN A 16 -4.964 -2.548 1.947 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -6.760 -4.389 1.292 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -7.057 -3.269 2.607 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -10.010 -2.042 1.197 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -9.017 -2.365 2.622 1.00 0.00 H new ATOM 211 N ARG A 17 -3.722 -2.951 -0.244 1.00 0.00 N ATOM 212 CA ARG A 17 -2.977 -3.501 -1.370 1.00 0.00 C ATOM 213 C ARG A 17 -1.475 -3.318 -1.171 1.00 0.00 C ATOM 214 O ARG A 17 -1.036 -2.374 -0.512 1.00 0.00 O ATOM 215 CB ARG A 17 -3.414 -2.832 -2.674 1.00 0.00 C ATOM 216 CG ARG A 17 -4.641 -3.470 -3.305 1.00 0.00 C ATOM 217 CD ARG A 17 -4.717 -3.178 -4.795 1.00 0.00 C ATOM 218 NE ARG A 17 -6.097 -3.126 -5.273 1.00 0.00 N ATOM 219 CZ ARG A 17 -6.991 -2.242 -4.844 1.00 0.00 C ATOM 220 NH1 ARG A 17 -6.652 -1.341 -3.932 1.00 0.00 N ATOM 221 NH2 ARG A 17 -8.226 -2.259 -5.326 1.00 0.00 N ATOM 0 H ARG A 17 -3.161 -2.397 0.403 1.00 0.00 H new ATOM 0 HA ARG A 17 -3.191 -4.568 -1.427 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -3.621 -1.779 -2.481 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -2.589 -2.869 -3.386 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -4.615 -4.548 -3.145 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -5.540 -3.097 -2.814 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -4.225 -2.228 -5.004 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -4.172 -3.946 -5.343 1.00 0.00 H new ATOM 0 HE ARG A 17 -6.390 -3.806 -5.975 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -5.703 -1.326 -3.558 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -7.340 -0.663 -3.604 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -8.490 -2.951 -6.027 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -8.912 -1.580 -4.996 1.00 0.00 H new ATOM 235 N CYS A 18 -0.692 -4.226 -1.743 1.00 0.00 N ATOM 236 CA CYS A 18 0.760 -4.166 -1.628 1.00 0.00 C ATOM 237 C CYS A 18 1.349 -3.210 -2.661 1.00 0.00 C ATOM 238 O CYS A 18 0.974 -3.238 -3.833 1.00 0.00 O ATOM 239 CB CYS A 18 1.365 -5.560 -1.805 1.00 0.00 C ATOM 240 SG CYS A 18 3.155 -5.641 -1.479 1.00 0.00 S ATOM 0 H CYS A 18 -1.039 -5.013 -2.291 1.00 0.00 H new ATOM 0 HA CYS A 18 1.005 -3.794 -0.633 1.00 0.00 H new ATOM 0 HB2 CYS A 18 0.853 -6.254 -1.138 1.00 0.00 H new ATOM 0 HB3 CYS A 18 1.176 -5.900 -2.823 1.00 0.00 H new ATOM 245 N PHE A 19 2.272 -2.363 -2.217 1.00 0.00 N ATOM 246 CA PHE A 19 2.912 -1.397 -3.102 1.00 0.00 C ATOM 247 C PHE A 19 4.063 -2.042 -3.869 1.00 0.00 C ATOM 248 O PHE A 19 4.994 -1.361 -4.299 1.00 0.00 O ATOM 249 CB PHE A 19 3.427 -0.201 -2.298 1.00 0.00 C ATOM 250 CG PHE A 19 3.868 0.951 -3.155 1.00 0.00 C ATOM 251 CD1 PHE A 19 2.938 1.803 -3.728 1.00 0.00 C ATOM 252 CD2 PHE A 19 5.215 1.183 -3.387 1.00 0.00 C ATOM 253 CE1 PHE A 19 3.342 2.863 -4.518 1.00 0.00 C ATOM 254 CE2 PHE A 19 5.625 2.241 -4.176 1.00 0.00 C ATOM 255 CZ PHE A 19 4.687 3.083 -4.741 1.00 0.00 C ATOM 0 H PHE A 19 2.593 -2.326 -1.250 1.00 0.00 H new ATOM 0 HA PHE A 19 2.169 -1.051 -3.820 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.641 0.138 -1.623 1.00 0.00 H new ATOM 0 HB3 PHE A 19 4.263 -0.523 -1.678 1.00 0.00 H new ATOM 0 HD1 PHE A 19 1.885 1.637 -3.555 1.00 0.00 H new ATOM 0 HD2 PHE A 19 5.953 0.529 -2.946 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.606 3.518 -4.960 1.00 0.00 H new ATOM 0 HE2 PHE A 19 6.677 2.409 -4.351 1.00 0.00 H new ATOM 0 HZ PHE A 19 5.005 3.912 -5.356 1.00 0.00 H new ATOM 265 N SER A 20 3.992 -3.359 -4.035 1.00 0.00 N ATOM 266 CA SER A 20 5.029 -4.097 -4.745 1.00 0.00 C ATOM 267 C SER A 20 4.414 -5.083 -5.733 1.00 0.00 C ATOM 268 O SER A 20 4.867 -5.204 -6.872 1.00 0.00 O ATOM 269 CB SER A 20 5.925 -4.842 -3.754 1.00 0.00 C ATOM 270 OG SER A 20 7.023 -4.040 -3.355 1.00 0.00 O ATOM 0 H SER A 20 3.227 -3.937 -3.687 1.00 0.00 H new ATOM 0 HA SER A 20 5.633 -3.381 -5.302 1.00 0.00 H new ATOM 0 HB2 SER A 20 5.343 -5.129 -2.878 1.00 0.00 H new ATOM 0 HB3 SER A 20 6.290 -5.762 -4.210 1.00 0.00 H new ATOM 0 HG SER A 20 7.815 -4.605 -3.236 1.00 0.00 H new ATOM 276 N CYS A 21 3.378 -5.787 -5.289 1.00 0.00 N ATOM 277 CA CYS A 21 2.699 -6.764 -6.132 1.00 0.00 C ATOM 278 C CYS A 21 1.226 -6.404 -6.303 1.00 0.00 C ATOM 279 O CYS A 21 0.524 -6.996 -7.121 1.00 0.00 O ATOM 280 CB CYS A 21 2.827 -8.165 -5.529 1.00 0.00 C ATOM 281 SG CYS A 21 2.434 -8.248 -3.752 1.00 0.00 S ATOM 0 H CYS A 21 2.990 -5.699 -4.350 1.00 0.00 H new ATOM 0 HA CYS A 21 3.174 -6.753 -7.113 1.00 0.00 H new ATOM 0 HB2 CYS A 21 2.166 -8.843 -6.069 1.00 0.00 H new ATOM 0 HB3 CYS A 21 3.845 -8.523 -5.682 1.00 0.00 H new ATOM 286 N ASN A 22 0.767 -5.429 -5.526 1.00 0.00 N ATOM 287 CA ASN A 22 -0.622 -4.990 -5.591 1.00 0.00 C ATOM 288 C ASN A 22 -1.554 -6.040 -4.993 1.00 0.00 C ATOM 289 O ASN A 22 -2.735 -6.106 -5.335 1.00 0.00 O ATOM 290 CB ASN A 22 -1.021 -4.705 -7.040 1.00 0.00 C ATOM 291 CG ASN A 22 -2.048 -3.594 -7.149 1.00 0.00 C ATOM 292 OD1 ASN A 22 -1.742 -2.425 -6.914 1.00 0.00 O ATOM 293 ND2 ASN A 22 -3.275 -3.956 -7.508 1.00 0.00 N ATOM 0 H ASN A 22 1.336 -4.928 -4.844 1.00 0.00 H new ATOM 0 HA ASN A 22 -0.714 -4.074 -5.008 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -0.134 -4.433 -7.612 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -1.423 -5.613 -7.489 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -4.008 -3.253 -7.599 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -3.484 -4.937 -7.693 1.00 0.00 H new ATOM 300 N LYS A 23 -1.014 -6.860 -4.097 1.00 0.00 N ATOM 301 CA LYS A 23 -1.795 -7.906 -3.448 1.00 0.00 C ATOM 302 C LYS A 23 -2.609 -7.339 -2.289 1.00 0.00 C ATOM 303 O LYS A 23 -2.063 -7.015 -1.234 1.00 0.00 O ATOM 304 CB LYS A 23 -0.875 -9.019 -2.942 1.00 0.00 C ATOM 305 CG LYS A 23 -1.398 -9.725 -1.704 1.00 0.00 C ATOM 306 CD LYS A 23 -0.862 -11.144 -1.602 1.00 0.00 C ATOM 307 CE LYS A 23 0.497 -11.178 -0.920 1.00 0.00 C ATOM 308 NZ LYS A 23 1.612 -11.071 -1.900 1.00 0.00 N ATOM 0 H LYS A 23 -0.038 -6.820 -3.804 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.484 -8.319 -4.185 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -0.735 -9.752 -3.736 1.00 0.00 H new ATOM 0 HB3 LYS A 23 0.105 -8.596 -2.722 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -1.112 -9.162 -0.815 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -2.487 -9.748 -1.730 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -1.566 -11.761 -1.044 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -0.781 -11.576 -2.599 1.00 0.00 H new ATOM 0 HE2 LYS A 23 0.564 -10.360 -0.203 1.00 0.00 H new ATOM 0 HE3 LYS A 23 0.597 -12.105 -0.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 2.090 -11.991 -1.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 1.233 -10.792 -2.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 2.293 -10.355 -1.575 1.00 0.00 H new ATOM 322 N LYS A 24 -3.917 -7.222 -2.492 1.00 0.00 N ATOM 323 CA LYS A 24 -4.807 -6.696 -1.463 1.00 0.00 C ATOM 324 C LYS A 24 -4.371 -7.161 -0.077 1.00 0.00 C ATOM 325 O LYS A 24 -4.363 -8.357 0.213 1.00 0.00 O ATOM 326 CB LYS A 24 -6.247 -7.138 -1.732 1.00 0.00 C ATOM 327 CG LYS A 24 -6.466 -8.632 -1.566 1.00 0.00 C ATOM 328 CD LYS A 24 -7.731 -9.092 -2.271 1.00 0.00 C ATOM 329 CE LYS A 24 -8.960 -8.888 -1.399 1.00 0.00 C ATOM 330 NZ LYS A 24 -9.222 -10.066 -0.526 1.00 0.00 N ATOM 0 H LYS A 24 -4.384 -7.484 -3.360 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.756 -5.608 -1.494 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.914 -6.604 -1.055 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.523 -6.849 -2.746 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.608 -9.173 -1.966 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -6.530 -8.876 -0.506 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -7.850 -8.541 -3.204 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.640 -10.146 -2.533 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -8.823 -8.001 -0.781 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -9.828 -8.705 -2.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -10.068 -9.888 0.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -9.378 -10.908 -1.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -8.404 -10.226 0.096 1.00 0.00 H new ATOM 344 N VAL A 25 -4.011 -6.207 0.775 1.00 0.00 N ATOM 345 CA VAL A 25 -3.576 -6.519 2.132 1.00 0.00 C ATOM 346 C VAL A 25 -4.669 -6.200 3.146 1.00 0.00 C ATOM 347 O VAL A 25 -4.390 -5.948 4.317 1.00 0.00 O ATOM 348 CB VAL A 25 -2.302 -5.739 2.506 1.00 0.00 C ATOM 349 CG1 VAL A 25 -1.131 -6.182 1.641 1.00 0.00 C ATOM 350 CG2 VAL A 25 -2.535 -4.242 2.375 1.00 0.00 C ATOM 0 H VAL A 25 -4.012 -5.212 0.550 1.00 0.00 H new ATOM 0 HA VAL A 25 -3.360 -7.587 2.158 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.057 -5.955 3.546 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.240 -5.620 1.920 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -0.950 -7.246 1.791 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -1.363 -5.997 0.592 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.624 -3.707 2.643 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -2.806 -4.005 1.346 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -3.343 -3.940 3.042 1.00 0.00 H new ATOM 360 N GLY A 26 -5.917 -6.215 2.687 1.00 0.00 N ATOM 361 CA GLY A 26 -7.035 -5.926 3.567 1.00 0.00 C ATOM 362 C GLY A 26 -6.681 -4.917 4.641 1.00 0.00 C ATOM 363 O GLY A 26 -5.954 -3.957 4.387 1.00 0.00 O ATOM 0 H GLY A 26 -6.174 -6.422 1.722 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -7.869 -5.546 2.977 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -7.372 -6.850 4.037 1.00 0.00 H new ATOM 367 N VAL A 27 -7.198 -5.133 5.847 1.00 0.00 N ATOM 368 CA VAL A 27 -6.933 -4.235 6.964 1.00 0.00 C ATOM 369 C VAL A 27 -5.857 -4.803 7.883 1.00 0.00 C ATOM 370 O VAL A 27 -5.844 -4.530 9.083 1.00 0.00 O ATOM 371 CB VAL A 27 -8.208 -3.971 7.787 1.00 0.00 C ATOM 372 CG1 VAL A 27 -9.300 -3.384 6.906 1.00 0.00 C ATOM 373 CG2 VAL A 27 -8.684 -5.252 8.457 1.00 0.00 C ATOM 0 H VAL A 27 -7.803 -5.922 6.075 1.00 0.00 H new ATOM 0 HA VAL A 27 -6.583 -3.295 6.538 1.00 0.00 H new ATOM 0 HB VAL A 27 -7.973 -3.246 8.566 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -10.193 -3.204 7.505 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -8.955 -2.443 6.477 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -9.536 -4.083 6.104 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -9.586 -5.047 9.034 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -8.903 -6.001 7.696 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -7.905 -5.626 9.121 1.00 0.00 H new ATOM 383 N MET A 28 -4.955 -5.593 7.310 1.00 0.00 N ATOM 384 CA MET A 28 -3.873 -6.198 8.078 1.00 0.00 C ATOM 385 C MET A 28 -2.544 -6.069 7.340 1.00 0.00 C ATOM 386 O MET A 28 -1.670 -6.925 7.461 1.00 0.00 O ATOM 387 CB MET A 28 -4.176 -7.673 8.352 1.00 0.00 C ATOM 388 CG MET A 28 -5.248 -7.887 9.407 1.00 0.00 C ATOM 389 SD MET A 28 -5.225 -9.555 10.093 1.00 0.00 S ATOM 390 CE MET A 28 -6.037 -10.470 8.784 1.00 0.00 C ATOM 0 H MET A 28 -4.952 -5.829 6.318 1.00 0.00 H new ATOM 0 HA MET A 28 -3.794 -5.668 9.027 1.00 0.00 H new ATOM 0 HB2 MET A 28 -4.491 -8.149 7.424 1.00 0.00 H new ATOM 0 HB3 MET A 28 -3.260 -8.171 8.670 1.00 0.00 H new ATOM 0 HG2 MET A 28 -5.109 -7.165 10.212 1.00 0.00 H new ATOM 0 HG3 MET A 28 -6.227 -7.692 8.969 1.00 0.00 H new ATOM 0 HE1 MET A 28 -6.099 -11.523 9.060 1.00 0.00 H new ATOM 0 HE2 MET A 28 -7.041 -10.075 8.633 1.00 0.00 H new ATOM 0 HE3 MET A 28 -5.465 -10.370 7.861 1.00 0.00 H new ATOM 400 N GLY A 29 -2.400 -4.991 6.574 1.00 0.00 N ATOM 401 CA GLY A 29 -1.175 -4.770 5.828 1.00 0.00 C ATOM 402 C GLY A 29 -0.106 -4.088 6.657 1.00 0.00 C ATOM 403 O GLY A 29 -0.362 -3.659 7.783 1.00 0.00 O ATOM 0 H GLY A 29 -3.110 -4.268 6.457 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.796 -5.726 5.467 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -1.393 -4.162 4.950 1.00 0.00 H new ATOM 407 N PHE A 30 1.097 -3.988 6.102 1.00 0.00 N ATOM 408 CA PHE A 30 2.211 -3.355 6.800 1.00 0.00 C ATOM 409 C PHE A 30 2.481 -1.961 6.241 1.00 0.00 C ATOM 410 O PHE A 30 3.123 -1.810 5.201 1.00 0.00 O ATOM 411 CB PHE A 30 3.470 -4.217 6.682 1.00 0.00 C ATOM 412 CG PHE A 30 3.555 -5.298 7.721 1.00 0.00 C ATOM 413 CD1 PHE A 30 4.151 -5.053 8.948 1.00 0.00 C ATOM 414 CD2 PHE A 30 3.039 -6.559 7.472 1.00 0.00 C ATOM 415 CE1 PHE A 30 4.232 -6.046 9.905 1.00 0.00 C ATOM 416 CE2 PHE A 30 3.116 -7.557 8.426 1.00 0.00 C ATOM 417 CZ PHE A 30 3.712 -7.299 9.645 1.00 0.00 C ATOM 0 H PHE A 30 1.326 -4.337 5.171 1.00 0.00 H new ATOM 0 HA PHE A 30 1.942 -3.260 7.852 1.00 0.00 H new ATOM 0 HB2 PHE A 30 3.498 -4.672 5.692 1.00 0.00 H new ATOM 0 HB3 PHE A 30 4.348 -3.576 6.763 1.00 0.00 H new ATOM 0 HD1 PHE A 30 4.557 -4.075 9.158 1.00 0.00 H new ATOM 0 HD2 PHE A 30 2.571 -6.765 6.521 1.00 0.00 H new ATOM 0 HE1 PHE A 30 4.702 -5.843 10.856 1.00 0.00 H new ATOM 0 HE2 PHE A 30 2.711 -8.536 8.218 1.00 0.00 H new ATOM 0 HZ PHE A 30 3.771 -8.075 10.393 1.00 0.00 H new ATOM 427 N LYS A 31 1.986 -0.944 6.938 1.00 0.00 N ATOM 428 CA LYS A 31 2.173 0.438 6.514 1.00 0.00 C ATOM 429 C LYS A 31 3.547 0.954 6.931 1.00 0.00 C ATOM 430 O LYS A 31 3.898 0.933 8.111 1.00 0.00 O ATOM 431 CB LYS A 31 1.081 1.328 7.110 1.00 0.00 C ATOM 432 CG LYS A 31 1.323 2.813 6.899 1.00 0.00 C ATOM 433 CD LYS A 31 0.023 3.599 6.921 1.00 0.00 C ATOM 434 CE LYS A 31 -0.582 3.713 5.530 1.00 0.00 C ATOM 435 NZ LYS A 31 -2.005 4.151 5.578 1.00 0.00 N ATOM 0 H LYS A 31 1.452 -1.051 7.800 1.00 0.00 H new ATOM 0 HA LYS A 31 2.106 0.470 5.427 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.122 1.058 6.667 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.005 1.129 8.179 1.00 0.00 H new ATOM 0 HG2 LYS A 31 1.989 3.188 7.676 1.00 0.00 H new ATOM 0 HG3 LYS A 31 1.827 2.968 5.945 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -0.687 3.112 7.589 1.00 0.00 H new ATOM 0 HD3 LYS A 31 0.206 4.596 7.322 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -0.003 4.423 4.939 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -0.515 2.749 5.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -2.381 4.217 4.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -2.563 3.461 6.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -2.066 5.082 6.037 1.00 0.00 H new ATOM 449 N CYS A 32 4.321 1.417 5.955 1.00 0.00 N ATOM 450 CA CYS A 32 5.656 1.939 6.220 1.00 0.00 C ATOM 451 C CYS A 32 5.597 3.415 6.603 1.00 0.00 C ATOM 452 O CYS A 32 4.630 4.111 6.293 1.00 0.00 O ATOM 453 CB CYS A 32 6.551 1.755 4.992 1.00 0.00 C ATOM 454 SG CYS A 32 8.188 2.542 5.141 1.00 0.00 S ATOM 0 H CYS A 32 4.046 1.441 4.973 1.00 0.00 H new ATOM 0 HA CYS A 32 6.078 1.381 7.056 1.00 0.00 H new ATOM 0 HB2 CYS A 32 6.687 0.689 4.811 1.00 0.00 H new ATOM 0 HB3 CYS A 32 6.041 2.164 4.119 1.00 0.00 H new ATOM 459 N LYS A 33 6.638 3.887 7.280 1.00 0.00 N ATOM 460 CA LYS A 33 6.708 5.280 7.706 1.00 0.00 C ATOM 461 C LYS A 33 6.515 6.221 6.521 1.00 0.00 C ATOM 462 O LYS A 33 5.958 7.310 6.664 1.00 0.00 O ATOM 463 CB LYS A 33 8.051 5.562 8.381 1.00 0.00 C ATOM 464 CG LYS A 33 8.301 4.713 9.616 1.00 0.00 C ATOM 465 CD LYS A 33 9.179 5.438 10.622 1.00 0.00 C ATOM 466 CE LYS A 33 8.382 6.450 11.431 1.00 0.00 C ATOM 467 NZ LYS A 33 9.243 7.549 11.948 1.00 0.00 N ATOM 0 H LYS A 33 7.446 3.324 7.546 1.00 0.00 H new ATOM 0 HA LYS A 33 5.905 5.456 8.422 1.00 0.00 H new ATOM 0 HB2 LYS A 33 8.853 5.389 7.663 1.00 0.00 H new ATOM 0 HB3 LYS A 33 8.094 6.615 8.659 1.00 0.00 H new ATOM 0 HG2 LYS A 33 7.349 4.456 10.081 1.00 0.00 H new ATOM 0 HG3 LYS A 33 8.777 3.776 9.325 1.00 0.00 H new ATOM 0 HD2 LYS A 33 9.638 4.713 11.295 1.00 0.00 H new ATOM 0 HD3 LYS A 33 9.990 5.946 10.099 1.00 0.00 H new ATOM 0 HE2 LYS A 33 7.591 6.870 10.809 1.00 0.00 H new ATOM 0 HE3 LYS A 33 7.896 5.946 12.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 8.662 8.217 12.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 9.982 7.151 12.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 9.687 8.047 11.150 1.00 0.00 H new ATOM 481 N CYS A 34 6.977 5.794 5.350 1.00 0.00 N ATOM 482 CA CYS A 34 6.855 6.597 4.140 1.00 0.00 C ATOM 483 C CYS A 34 5.390 6.878 3.819 1.00 0.00 C ATOM 484 O CYS A 34 5.039 7.969 3.373 1.00 0.00 O ATOM 485 CB CYS A 34 7.520 5.884 2.961 1.00 0.00 C ATOM 486 SG CYS A 34 6.824 4.240 2.598 1.00 0.00 S ATOM 0 H CYS A 34 7.440 4.895 5.214 1.00 0.00 H new ATOM 0 HA CYS A 34 7.359 7.548 4.312 1.00 0.00 H new ATOM 0 HB2 CYS A 34 7.428 6.510 2.073 1.00 0.00 H new ATOM 0 HB3 CYS A 34 8.585 5.778 3.168 1.00 0.00 H new ATOM 491 N GLY A 35 4.538 5.883 4.050 1.00 0.00 N ATOM 492 CA GLY A 35 3.121 6.042 3.780 1.00 0.00 C ATOM 493 C GLY A 35 2.625 5.095 2.705 1.00 0.00 C ATOM 494 O GLY A 35 1.683 5.409 1.978 1.00 0.00 O ATOM 0 H GLY A 35 4.804 4.970 4.419 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.558 5.871 4.698 1.00 0.00 H new ATOM 0 HA3 GLY A 35 2.926 7.069 3.473 1.00 0.00 H new ATOM 498 N SER A 36 3.263 3.933 2.603 1.00 0.00 N ATOM 499 CA SER A 36 2.885 2.939 1.605 1.00 0.00 C ATOM 500 C SER A 36 2.410 1.652 2.273 1.00 0.00 C ATOM 501 O SER A 36 2.845 1.313 3.374 1.00 0.00 O ATOM 502 CB SER A 36 4.065 2.642 0.678 1.00 0.00 C ATOM 503 OG SER A 36 4.746 3.832 0.322 1.00 0.00 O ATOM 0 H SER A 36 4.043 3.657 3.199 1.00 0.00 H new ATOM 0 HA SER A 36 2.063 3.346 1.015 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.756 1.958 1.171 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.708 2.141 -0.222 1.00 0.00 H new ATOM 0 HG SER A 36 5.358 4.087 1.043 1.00 0.00 H new ATOM 509 N THR A 37 1.515 0.938 1.598 1.00 0.00 N ATOM 510 CA THR A 37 0.980 -0.311 2.125 1.00 0.00 C ATOM 511 C THR A 37 1.633 -1.515 1.455 1.00 0.00 C ATOM 512 O THR A 37 1.827 -1.532 0.239 1.00 0.00 O ATOM 513 CB THR A 37 -0.546 -0.395 1.930 1.00 0.00 C ATOM 514 OG1 THR A 37 -1.159 0.838 2.324 1.00 0.00 O ATOM 515 CG2 THR A 37 -1.133 -1.541 2.741 1.00 0.00 C ATOM 0 H THR A 37 1.145 1.203 0.685 1.00 0.00 H new ATOM 0 HA THR A 37 1.204 -0.326 3.192 1.00 0.00 H new ATOM 0 HB THR A 37 -0.746 -0.578 0.874 1.00 0.00 H new ATOM 0 HG1 THR A 37 -2.100 0.838 2.049 1.00 0.00 H new ATOM 0 HG21 THR A 37 -2.211 -1.580 2.587 1.00 0.00 H new ATOM 0 HG22 THR A 37 -0.686 -2.481 2.419 1.00 0.00 H new ATOM 0 HG23 THR A 37 -0.923 -1.383 3.799 1.00 0.00 H new ATOM 523 N PHE A 38 1.970 -2.521 2.255 1.00 0.00 N ATOM 524 CA PHE A 38 2.602 -3.729 1.739 1.00 0.00 C ATOM 525 C PHE A 38 1.966 -4.977 2.345 1.00 0.00 C ATOM 526 O PHE A 38 1.258 -4.902 3.350 1.00 0.00 O ATOM 527 CB PHE A 38 4.103 -3.713 2.038 1.00 0.00 C ATOM 528 CG PHE A 38 4.771 -2.416 1.679 1.00 0.00 C ATOM 529 CD1 PHE A 38 5.177 -2.168 0.377 1.00 0.00 C ATOM 530 CD2 PHE A 38 4.993 -1.446 2.642 1.00 0.00 C ATOM 531 CE1 PHE A 38 5.793 -0.976 0.045 1.00 0.00 C ATOM 532 CE2 PHE A 38 5.608 -0.252 2.315 1.00 0.00 C ATOM 533 CZ PHE A 38 6.007 -0.017 1.015 1.00 0.00 C ATOM 0 H PHE A 38 1.816 -2.523 3.263 1.00 0.00 H new ATOM 0 HA PHE A 38 2.453 -3.753 0.659 1.00 0.00 H new ATOM 0 HB2 PHE A 38 4.256 -3.910 3.099 1.00 0.00 H new ATOM 0 HB3 PHE A 38 4.583 -4.524 1.490 1.00 0.00 H new ATOM 0 HD1 PHE A 38 5.010 -2.914 -0.386 1.00 0.00 H new ATOM 0 HD2 PHE A 38 4.682 -1.624 3.661 1.00 0.00 H new ATOM 0 HE1 PHE A 38 6.107 -0.795 -0.972 1.00 0.00 H new ATOM 0 HE2 PHE A 38 5.776 0.496 3.076 1.00 0.00 H new ATOM 0 HZ PHE A 38 6.486 0.916 0.757 1.00 0.00 H new ATOM 543 N CYS A 39 2.222 -6.124 1.726 1.00 0.00 N ATOM 544 CA CYS A 39 1.675 -7.389 2.201 1.00 0.00 C ATOM 545 C CYS A 39 2.664 -8.099 3.121 1.00 0.00 C ATOM 546 O CYS A 39 2.734 -9.327 3.146 1.00 0.00 O ATOM 547 CB CYS A 39 1.323 -8.293 1.018 1.00 0.00 C ATOM 548 SG CYS A 39 2.768 -8.895 0.087 1.00 0.00 S ATOM 0 H CYS A 39 2.806 -6.204 0.893 1.00 0.00 H new ATOM 0 HA CYS A 39 0.769 -7.174 2.768 1.00 0.00 H new ATOM 0 HB2 CYS A 39 0.758 -9.150 1.385 1.00 0.00 H new ATOM 0 HB3 CYS A 39 0.669 -7.746 0.339 1.00 0.00 H new ATOM 553 N GLY A 40 3.427 -7.315 3.877 1.00 0.00 N ATOM 554 CA GLY A 40 4.402 -7.886 4.789 1.00 0.00 C ATOM 555 C GLY A 40 5.666 -8.331 4.081 1.00 0.00 C ATOM 556 O GLY A 40 6.772 -8.113 4.575 1.00 0.00 O ATOM 0 H GLY A 40 3.388 -6.296 3.874 1.00 0.00 H new ATOM 0 HA2 GLY A 40 4.656 -7.150 5.552 1.00 0.00 H new ATOM 0 HA3 GLY A 40 3.958 -8.738 5.304 1.00 0.00 H new ATOM 560 N SER A 41 5.503 -8.958 2.920 1.00 0.00 N ATOM 561 CA SER A 41 6.640 -9.441 2.146 1.00 0.00 C ATOM 562 C SER A 41 7.355 -8.285 1.453 1.00 0.00 C ATOM 563 O SER A 41 8.520 -8.430 1.087 1.00 0.00 O ATOM 564 CB SER A 41 6.179 -10.466 1.108 1.00 0.00 C ATOM 565 OG SER A 41 5.706 -11.647 1.732 1.00 0.00 O ATOM 0 H SER A 41 4.594 -9.143 2.495 1.00 0.00 H new ATOM 0 HA SER A 41 7.339 -9.919 2.832 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.389 -10.035 0.493 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.006 -10.710 0.441 1.00 0.00 H new ATOM 0 HG SER A 41 5.416 -12.285 1.047 1.00 0.00 H new ATOM 571 N HIS A 42 6.650 -7.175 1.291 1.00 0.00 N ATOM 572 CA HIS A 42 7.227 -6.010 0.644 1.00 0.00 C ATOM 573 C HIS A 42 7.114 -4.799 1.573 1.00 0.00 C ATOM 574 O HIS A 42 7.093 -3.646 1.142 1.00 0.00 O ATOM 575 CB HIS A 42 6.581 -5.771 -0.722 1.00 0.00 C ATOM 576 CG HIS A 42 6.500 -7.005 -1.587 1.00 0.00 C ATOM 577 ND1 HIS A 42 5.377 -7.328 -2.330 1.00 0.00 N ATOM 578 CD2 HIS A 42 7.413 -7.992 -1.821 1.00 0.00 C ATOM 579 CE1 HIS A 42 5.615 -8.460 -2.976 1.00 0.00 C ATOM 580 NE2 HIS A 42 6.876 -8.870 -2.659 1.00 0.00 N ATOM 0 H HIS A 42 5.684 -7.058 1.597 1.00 0.00 H new ATOM 0 HA HIS A 42 8.287 -6.182 0.455 1.00 0.00 H new ATOM 0 HB2 HIS A 42 5.575 -5.378 -0.573 1.00 0.00 H new ATOM 0 HB3 HIS A 42 7.148 -5.005 -1.252 1.00 0.00 H new ATOM 0 HD1 HIS A 42 4.514 -6.787 -2.373 1.00 0.00 H new ATOM 0 HD2 HIS A 42 8.404 -8.049 -1.396 1.00 0.00 H new ATOM 0 HE1 HIS A 42 4.930 -8.969 -3.638 1.00 0.00 H new ATOM 588 N ARG A 43 7.042 -5.090 2.868 1.00 0.00 N ATOM 589 CA ARG A 43 6.930 -4.046 3.880 1.00 0.00 C ATOM 590 C ARG A 43 8.278 -3.372 4.118 1.00 0.00 C ATOM 591 O ARG A 43 8.348 -2.289 4.699 1.00 0.00 O ATOM 592 CB ARG A 43 6.402 -4.632 5.191 1.00 0.00 C ATOM 593 CG ARG A 43 7.435 -5.445 5.954 1.00 0.00 C ATOM 594 CD ARG A 43 6.882 -5.944 7.280 1.00 0.00 C ATOM 595 NE ARG A 43 7.148 -5.009 8.370 1.00 0.00 N ATOM 596 CZ ARG A 43 8.278 -4.998 9.069 1.00 0.00 C ATOM 597 NH1 ARG A 43 9.241 -5.865 8.793 1.00 0.00 N ATOM 598 NH2 ARG A 43 8.445 -4.116 10.047 1.00 0.00 N ATOM 0 H ARG A 43 7.059 -6.039 3.241 1.00 0.00 H new ATOM 0 HA ARG A 43 6.228 -3.296 3.516 1.00 0.00 H new ATOM 0 HB2 ARG A 43 6.050 -3.820 5.827 1.00 0.00 H new ATOM 0 HB3 ARG A 43 5.541 -5.265 4.976 1.00 0.00 H new ATOM 0 HG2 ARG A 43 7.752 -6.294 5.348 1.00 0.00 H new ATOM 0 HG3 ARG A 43 8.320 -4.834 6.134 1.00 0.00 H new ATOM 0 HD2 ARG A 43 5.807 -6.099 7.189 1.00 0.00 H new ATOM 0 HD3 ARG A 43 7.324 -6.912 7.516 1.00 0.00 H new ATOM 0 HE ARG A 43 6.427 -4.327 8.608 1.00 0.00 H new ATOM 0 HH11 ARG A 43 9.116 -6.544 8.042 1.00 0.00 H new ATOM 0 HH12 ARG A 43 10.107 -5.854 9.332 1.00 0.00 H new ATOM 0 HH21 ARG A 43 7.706 -3.447 10.262 1.00 0.00 H new ATOM 0 HH22 ARG A 43 9.312 -4.108 10.584 1.00 0.00 H new ATOM 612 N TYR A 44 9.346 -4.020 3.665 1.00 0.00 N ATOM 613 CA TYR A 44 10.692 -3.486 3.831 1.00 0.00 C ATOM 614 C TYR A 44 10.941 -2.329 2.869 1.00 0.00 C ATOM 615 O TYR A 44 10.380 -2.265 1.775 1.00 0.00 O ATOM 616 CB TYR A 44 11.731 -4.585 3.604 1.00 0.00 C ATOM 617 CG TYR A 44 11.499 -5.821 4.444 1.00 0.00 C ATOM 618 CD1 TYR A 44 10.624 -6.815 4.025 1.00 0.00 C ATOM 619 CD2 TYR A 44 12.153 -5.993 5.658 1.00 0.00 C ATOM 620 CE1 TYR A 44 10.407 -7.945 4.789 1.00 0.00 C ATOM 621 CE2 TYR A 44 11.944 -7.121 6.428 1.00 0.00 C ATOM 622 CZ TYR A 44 11.070 -8.094 5.989 1.00 0.00 C ATOM 623 OH TYR A 44 10.859 -9.218 6.754 1.00 0.00 O ATOM 0 H TYR A 44 9.305 -4.916 3.180 1.00 0.00 H new ATOM 0 HA TYR A 44 10.784 -3.113 4.851 1.00 0.00 H new ATOM 0 HB2 TYR A 44 11.726 -4.866 2.551 1.00 0.00 H new ATOM 0 HB3 TYR A 44 12.722 -4.187 3.824 1.00 0.00 H new ATOM 0 HD1 TYR A 44 10.104 -6.702 3.085 1.00 0.00 H new ATOM 0 HD2 TYR A 44 12.836 -5.232 6.005 1.00 0.00 H new ATOM 0 HE1 TYR A 44 9.722 -8.707 4.449 1.00 0.00 H new ATOM 0 HE2 TYR A 44 12.462 -7.240 7.368 1.00 0.00 H new ATOM 0 HH TYR A 44 11.403 -9.167 7.567 1.00 0.00 H new ATOM 633 N PRO A 45 11.805 -1.390 3.284 1.00 0.00 N ATOM 634 CA PRO A 45 12.150 -0.218 2.475 1.00 0.00 C ATOM 635 C PRO A 45 12.984 -0.583 1.252 1.00 0.00 C ATOM 636 O PRO A 45 12.853 0.031 0.194 1.00 0.00 O ATOM 637 CB PRO A 45 12.964 0.650 3.437 1.00 0.00 C ATOM 638 CG PRO A 45 13.533 -0.309 4.425 1.00 0.00 C ATOM 639 CD PRO A 45 12.511 -1.402 4.577 1.00 0.00 C ATOM 0 HA PRO A 45 11.264 0.278 2.077 1.00 0.00 H new ATOM 0 HB2 PRO A 45 13.751 1.191 2.912 1.00 0.00 H new ATOM 0 HB3 PRO A 45 12.336 1.395 3.925 1.00 0.00 H new ATOM 0 HG2 PRO A 45 14.485 -0.710 4.076 1.00 0.00 H new ATOM 0 HG3 PRO A 45 13.725 0.182 5.379 1.00 0.00 H new ATOM 0 HD2 PRO A 45 12.980 -2.367 4.770 1.00 0.00 H new ATOM 0 HD3 PRO A 45 11.833 -1.205 5.407 1.00 0.00 H new ATOM 647 N GLU A 46 13.842 -1.587 1.405 1.00 0.00 N ATOM 648 CA GLU A 46 14.698 -2.033 0.312 1.00 0.00 C ATOM 649 C GLU A 46 13.877 -2.721 -0.776 1.00 0.00 C ATOM 650 O GLU A 46 14.318 -2.842 -1.919 1.00 0.00 O ATOM 651 CB GLU A 46 15.775 -2.987 0.834 1.00 0.00 C ATOM 652 CG GLU A 46 15.217 -4.165 1.615 1.00 0.00 C ATOM 653 CD GLU A 46 16.305 -5.040 2.206 1.00 0.00 C ATOM 654 OE1 GLU A 46 17.247 -4.487 2.812 1.00 0.00 O ATOM 655 OE2 GLU A 46 16.215 -6.278 2.064 1.00 0.00 O ATOM 0 H GLU A 46 13.963 -2.106 2.275 1.00 0.00 H new ATOM 0 HA GLU A 46 15.179 -1.155 -0.120 1.00 0.00 H new ATOM 0 HB2 GLU A 46 16.355 -3.363 -0.009 1.00 0.00 H new ATOM 0 HB3 GLU A 46 16.462 -2.432 1.472 1.00 0.00 H new ATOM 0 HG2 GLU A 46 14.578 -3.795 2.417 1.00 0.00 H new ATOM 0 HG3 GLU A 46 14.588 -4.767 0.958 1.00 0.00 H new ATOM 662 N LYS A 47 12.682 -3.171 -0.411 1.00 0.00 N ATOM 663 CA LYS A 47 11.797 -3.846 -1.353 1.00 0.00 C ATOM 664 C LYS A 47 10.736 -2.888 -1.886 1.00 0.00 C ATOM 665 O LYS A 47 9.715 -3.345 -2.396 1.00 0.00 O ATOM 666 CB LYS A 47 11.125 -5.047 -0.683 1.00 0.00 C ATOM 667 CG LYS A 47 12.109 -6.060 -0.124 1.00 0.00 C ATOM 668 CD LYS A 47 12.830 -6.807 -1.234 1.00 0.00 C ATOM 669 CE LYS A 47 14.225 -7.236 -0.802 1.00 0.00 C ATOM 670 NZ LYS A 47 15.249 -6.208 -1.136 1.00 0.00 N ATOM 0 H LYS A 47 12.303 -3.080 0.532 1.00 0.00 H new ATOM 0 HA LYS A 47 12.399 -4.196 -2.191 1.00 0.00 H new ATOM 0 HB2 LYS A 47 10.485 -4.691 0.124 1.00 0.00 H new ATOM 0 HB3 LYS A 47 10.479 -5.542 -1.408 1.00 0.00 H new ATOM 0 HG2 LYS A 47 12.838 -5.551 0.507 1.00 0.00 H new ATOM 0 HG3 LYS A 47 11.580 -6.771 0.510 1.00 0.00 H new ATOM 0 HD2 LYS A 47 12.250 -7.685 -1.520 1.00 0.00 H new ATOM 0 HD3 LYS A 47 12.901 -6.171 -2.116 1.00 0.00 H new ATOM 0 HE2 LYS A 47 14.232 -7.420 0.272 1.00 0.00 H new ATOM 0 HE3 LYS A 47 14.483 -8.177 -1.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 16.005 -6.227 -0.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 15.652 -6.411 -2.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 14.806 -5.267 -1.146 1.00 0.00 H new ATOM 684 N HIS A 48 10.998 -1.595 -1.759 1.00 0.00 N ATOM 685 CA HIS A 48 10.060 -0.592 -2.232 1.00 0.00 C ATOM 686 C HIS A 48 10.696 0.795 -2.128 1.00 0.00 C ATOM 687 O HIS A 48 11.204 1.202 -1.084 1.00 0.00 O ATOM 688 CB HIS A 48 8.731 -0.693 -1.480 1.00 0.00 C ATOM 689 CG HIS A 48 8.717 0.035 -0.158 1.00 0.00 C ATOM 690 ND1 HIS A 48 8.704 -0.622 1.060 1.00 0.00 N ATOM 691 CD2 HIS A 48 8.715 1.370 0.125 1.00 0.00 C ATOM 692 CE1 HIS A 48 8.693 0.286 2.025 1.00 0.00 C ATOM 693 NE2 HIS A 48 8.700 1.520 1.443 1.00 0.00 N ATOM 0 H HIS A 48 11.846 -1.220 -1.335 1.00 0.00 H new ATOM 0 HA HIS A 48 9.831 -0.770 -3.283 1.00 0.00 H new ATOM 0 HB2 HIS A 48 7.937 -0.294 -2.111 1.00 0.00 H new ATOM 0 HB3 HIS A 48 8.502 -1.745 -1.307 1.00 0.00 H new ATOM 0 HD1 HIS A 48 8.703 -1.633 1.192 1.00 0.00 H new ATOM 0 HD2 HIS A 48 8.724 2.169 -0.601 1.00 0.00 H new ATOM 0 HE1 HIS A 48 8.681 0.085 3.086 1.00 0.00 H new ATOM 701 N GLU A 49 10.655 1.517 -3.243 1.00 0.00 N ATOM 702 CA GLU A 49 11.220 2.860 -3.304 1.00 0.00 C ATOM 703 C GLU A 49 10.840 3.667 -2.067 1.00 0.00 C ATOM 704 O GLU A 49 9.807 4.337 -2.041 1.00 0.00 O ATOM 705 CB GLU A 49 10.741 3.582 -4.565 1.00 0.00 C ATOM 706 CG GLU A 49 11.592 3.297 -5.791 1.00 0.00 C ATOM 707 CD GLU A 49 13.029 3.749 -5.622 1.00 0.00 C ATOM 708 OE1 GLU A 49 13.258 4.972 -5.519 1.00 0.00 O ATOM 709 OE2 GLU A 49 13.926 2.880 -5.591 1.00 0.00 O ATOM 0 H GLU A 49 10.237 1.195 -4.116 1.00 0.00 H new ATOM 0 HA GLU A 49 12.306 2.768 -3.337 1.00 0.00 H new ATOM 0 HB2 GLU A 49 9.712 3.289 -4.772 1.00 0.00 H new ATOM 0 HB3 GLU A 49 10.736 4.656 -4.379 1.00 0.00 H new ATOM 0 HG2 GLU A 49 11.574 2.227 -6.000 1.00 0.00 H new ATOM 0 HG3 GLU A 49 11.157 3.799 -6.655 1.00 0.00 H new ATOM 716 N CYS A 50 11.682 3.599 -1.041 1.00 0.00 N ATOM 717 CA CYS A 50 11.435 4.321 0.201 1.00 0.00 C ATOM 718 C CYS A 50 12.299 5.576 0.281 1.00 0.00 C ATOM 719 O CYS A 50 13.449 5.524 0.718 1.00 0.00 O ATOM 720 CB CYS A 50 11.715 3.419 1.405 1.00 0.00 C ATOM 721 SG CYS A 50 10.897 3.955 2.942 1.00 0.00 S ATOM 0 H CYS A 50 12.542 3.051 -1.046 1.00 0.00 H new ATOM 0 HA CYS A 50 10.387 4.620 0.216 1.00 0.00 H new ATOM 0 HB2 CYS A 50 11.392 2.405 1.169 1.00 0.00 H new ATOM 0 HB3 CYS A 50 12.791 3.380 1.573 1.00 0.00 H new ATOM 726 N SER A 51 11.737 6.703 -0.144 1.00 0.00 N ATOM 727 CA SER A 51 12.457 7.971 -0.124 1.00 0.00 C ATOM 728 C SER A 51 12.777 8.392 1.307 1.00 0.00 C ATOM 729 O SER A 51 13.852 8.925 1.584 1.00 0.00 O ATOM 730 CB SER A 51 11.633 9.060 -0.815 1.00 0.00 C ATOM 731 OG SER A 51 12.346 10.284 -0.864 1.00 0.00 O ATOM 0 H SER A 51 10.785 6.764 -0.506 1.00 0.00 H new ATOM 0 HA SER A 51 13.395 7.836 -0.663 1.00 0.00 H new ATOM 0 HB2 SER A 51 11.380 8.742 -1.826 1.00 0.00 H new ATOM 0 HB3 SER A 51 10.694 9.204 -0.281 1.00 0.00 H new ATOM 0 HG SER A 51 11.799 10.963 -1.311 1.00 0.00 H new ATOM 737 N PHE A 52 11.837 8.147 2.214 1.00 0.00 N ATOM 738 CA PHE A 52 12.018 8.501 3.617 1.00 0.00 C ATOM 739 C PHE A 52 13.476 8.341 4.035 1.00 0.00 C ATOM 740 O PHE A 52 14.087 7.295 3.810 1.00 0.00 O ATOM 741 CB PHE A 52 11.123 7.631 4.503 1.00 0.00 C ATOM 742 CG PHE A 52 10.914 8.194 5.879 1.00 0.00 C ATOM 743 CD1 PHE A 52 10.509 9.508 6.050 1.00 0.00 C ATOM 744 CD2 PHE A 52 11.120 7.409 7.002 1.00 0.00 C ATOM 745 CE1 PHE A 52 10.316 10.029 7.316 1.00 0.00 C ATOM 746 CE2 PHE A 52 10.929 7.925 8.271 1.00 0.00 C ATOM 747 CZ PHE A 52 10.525 9.236 8.427 1.00 0.00 C ATOM 0 H PHE A 52 10.942 7.705 2.003 1.00 0.00 H new ATOM 0 HA PHE A 52 11.736 9.546 3.742 1.00 0.00 H new ATOM 0 HB2 PHE A 52 10.154 7.508 4.018 1.00 0.00 H new ATOM 0 HB3 PHE A 52 11.565 6.638 4.588 1.00 0.00 H new ATOM 0 HD1 PHE A 52 10.342 10.132 5.185 1.00 0.00 H new ATOM 0 HD2 PHE A 52 11.433 6.382 6.885 1.00 0.00 H new ATOM 0 HE1 PHE A 52 10.002 11.055 7.436 1.00 0.00 H new ATOM 0 HE2 PHE A 52 11.096 7.303 9.138 1.00 0.00 H new ATOM 0 HZ PHE A 52 10.373 9.641 9.417 1.00 0.00 H new ATOM 757 N ASP A 53 14.029 9.385 4.642 1.00 0.00 N ATOM 758 CA ASP A 53 15.416 9.362 5.093 1.00 0.00 C ATOM 759 C ASP A 53 15.519 8.798 6.506 1.00 0.00 C ATOM 760 O ASP A 53 15.474 9.541 7.487 1.00 0.00 O ATOM 761 CB ASP A 53 16.013 10.769 5.046 1.00 0.00 C ATOM 762 CG ASP A 53 17.463 10.797 5.487 1.00 0.00 C ATOM 763 OD1 ASP A 53 18.337 10.432 4.674 1.00 0.00 O ATOM 764 OD2 ASP A 53 17.724 11.184 6.646 1.00 0.00 O ATOM 0 H ASP A 53 13.538 10.258 4.833 1.00 0.00 H new ATOM 0 HA ASP A 53 15.980 8.714 4.422 1.00 0.00 H new ATOM 0 HB2 ASP A 53 15.937 11.159 4.031 1.00 0.00 H new ATOM 0 HB3 ASP A 53 15.429 11.430 5.686 1.00 0.00 H new ATOM 769 N PHE A 54 15.657 7.480 6.604 1.00 0.00 N ATOM 770 CA PHE A 54 15.764 6.816 7.898 1.00 0.00 C ATOM 771 C PHE A 54 17.036 7.244 8.625 1.00 0.00 C ATOM 772 O PHE A 54 16.986 7.718 9.760 1.00 0.00 O ATOM 773 CB PHE A 54 15.753 5.297 7.718 1.00 0.00 C ATOM 774 CG PHE A 54 14.372 4.716 7.608 1.00 0.00 C ATOM 775 CD1 PHE A 54 13.642 4.411 8.746 1.00 0.00 C ATOM 776 CD2 PHE A 54 13.803 4.476 6.368 1.00 0.00 C ATOM 777 CE1 PHE A 54 12.372 3.876 8.648 1.00 0.00 C ATOM 778 CE2 PHE A 54 12.533 3.942 6.263 1.00 0.00 C ATOM 779 CZ PHE A 54 11.816 3.642 7.405 1.00 0.00 C ATOM 0 H PHE A 54 15.697 6.850 5.803 1.00 0.00 H new ATOM 0 HA PHE A 54 14.905 7.110 8.501 1.00 0.00 H new ATOM 0 HB2 PHE A 54 16.318 5.041 6.822 1.00 0.00 H new ATOM 0 HB3 PHE A 54 16.267 4.836 8.561 1.00 0.00 H new ATOM 0 HD1 PHE A 54 14.071 4.594 9.720 1.00 0.00 H new ATOM 0 HD2 PHE A 54 14.359 4.709 5.472 1.00 0.00 H new ATOM 0 HE1 PHE A 54 11.814 3.641 9.542 1.00 0.00 H new ATOM 0 HE2 PHE A 54 12.102 3.759 5.290 1.00 0.00 H new ATOM 0 HZ PHE A 54 10.823 3.225 7.326 1.00 0.00 H new ATOM 789 N LYS A 55 18.175 7.073 7.962 1.00 0.00 N ATOM 790 CA LYS A 55 19.461 7.441 8.543 1.00 0.00 C ATOM 791 C LYS A 55 20.208 8.415 7.637 1.00 0.00 C ATOM 792 O LYS A 55 19.889 8.545 6.455 1.00 0.00 O ATOM 793 CB LYS A 55 20.313 6.192 8.780 1.00 0.00 C ATOM 794 CG LYS A 55 20.422 5.290 7.562 1.00 0.00 C ATOM 795 CD LYS A 55 21.599 5.679 6.684 1.00 0.00 C ATOM 796 CE LYS A 55 21.450 5.127 5.275 1.00 0.00 C ATOM 797 NZ LYS A 55 22.664 5.379 4.449 1.00 0.00 N ATOM 0 H LYS A 55 18.234 6.682 7.022 1.00 0.00 H new ATOM 0 HA LYS A 55 19.273 7.932 9.498 1.00 0.00 H new ATOM 0 HB2 LYS A 55 21.313 6.498 9.086 1.00 0.00 H new ATOM 0 HB3 LYS A 55 19.887 5.623 9.606 1.00 0.00 H new ATOM 0 HG2 LYS A 55 20.533 4.255 7.884 1.00 0.00 H new ATOM 0 HG3 LYS A 55 19.500 5.346 6.983 1.00 0.00 H new ATOM 0 HD2 LYS A 55 21.681 6.765 6.644 1.00 0.00 H new ATOM 0 HD3 LYS A 55 22.523 5.306 7.126 1.00 0.00 H new ATOM 0 HE2 LYS A 55 21.260 4.055 5.323 1.00 0.00 H new ATOM 0 HE3 LYS A 55 20.584 5.583 4.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 22.397 5.425 3.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 23.097 6.281 4.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 23.347 4.607 4.591 1.00 0.00 H new ATOM 811 N GLU A 56 21.203 9.094 8.198 1.00 0.00 N ATOM 812 CA GLU A 56 21.995 10.055 7.439 1.00 0.00 C ATOM 813 C GLU A 56 22.608 9.400 6.205 1.00 0.00 C ATOM 814 O GLU A 56 23.433 8.493 6.314 1.00 0.00 O ATOM 815 CB GLU A 56 23.099 10.646 8.318 1.00 0.00 C ATOM 816 CG GLU A 56 23.789 11.851 7.701 1.00 0.00 C ATOM 817 CD GLU A 56 22.885 13.066 7.628 1.00 0.00 C ATOM 818 OE1 GLU A 56 22.316 13.447 8.672 1.00 0.00 O ATOM 819 OE2 GLU A 56 22.746 13.637 6.525 1.00 0.00 O ATOM 0 H GLU A 56 21.480 8.997 9.175 1.00 0.00 H new ATOM 0 HA GLU A 56 21.332 10.856 7.112 1.00 0.00 H new ATOM 0 HB2 GLU A 56 22.672 10.935 9.278 1.00 0.00 H new ATOM 0 HB3 GLU A 56 23.843 9.875 8.519 1.00 0.00 H new ATOM 0 HG2 GLU A 56 24.675 12.097 8.286 1.00 0.00 H new ATOM 0 HG3 GLU A 56 24.130 11.596 6.698 1.00 0.00 H new ATOM 826 N VAL A 57 22.198 9.866 5.029 1.00 0.00 N ATOM 827 CA VAL A 57 22.706 9.328 3.774 1.00 0.00 C ATOM 828 C VAL A 57 23.903 10.130 3.276 1.00 0.00 C ATOM 829 O VAL A 57 24.987 9.585 3.073 1.00 0.00 O ATOM 830 CB VAL A 57 21.617 9.322 2.684 1.00 0.00 C ATOM 831 CG1 VAL A 57 22.176 8.790 1.373 1.00 0.00 C ATOM 832 CG2 VAL A 57 20.418 8.501 3.134 1.00 0.00 C ATOM 0 H VAL A 57 21.515 10.616 4.920 1.00 0.00 H new ATOM 0 HA VAL A 57 23.017 8.302 3.973 1.00 0.00 H new ATOM 0 HB VAL A 57 21.286 10.347 2.520 1.00 0.00 H new ATOM 0 HG11 VAL A 57 21.392 8.793 0.615 1.00 0.00 H new ATOM 0 HG12 VAL A 57 23.000 9.423 1.045 1.00 0.00 H new ATOM 0 HG13 VAL A 57 22.536 7.772 1.518 1.00 0.00 H new ATOM 0 HG21 VAL A 57 19.658 8.508 2.352 1.00 0.00 H new ATOM 0 HG22 VAL A 57 20.731 7.475 3.327 1.00 0.00 H new ATOM 0 HG23 VAL A 57 20.004 8.931 4.046 1.00 0.00 H new ATOM 842 N GLY A 58 23.699 11.429 3.081 1.00 0.00 N ATOM 843 CA GLY A 58 24.771 12.286 2.609 1.00 0.00 C ATOM 844 C GLY A 58 24.266 13.628 2.117 1.00 0.00 C ATOM 845 O GLY A 58 24.271 14.611 2.858 1.00 0.00 O ATOM 0 H GLY A 58 22.810 11.903 3.241 1.00 0.00 H new ATOM 0 HA2 GLY A 58 25.487 12.444 3.415 1.00 0.00 H new ATOM 0 HA3 GLY A 58 25.305 11.784 1.802 1.00 0.00 H new ATOM 849 N SER A 59 23.830 13.670 0.862 1.00 0.00 N ATOM 850 CA SER A 59 23.325 14.903 0.269 1.00 0.00 C ATOM 851 C SER A 59 22.086 15.395 1.013 1.00 0.00 C ATOM 852 O SER A 59 20.972 14.944 0.752 1.00 0.00 O ATOM 853 CB SER A 59 22.994 14.685 -1.208 1.00 0.00 C ATOM 854 OG SER A 59 22.237 15.766 -1.726 1.00 0.00 O ATOM 0 H SER A 59 23.816 12.865 0.236 1.00 0.00 H new ATOM 0 HA SER A 59 24.103 15.662 0.351 1.00 0.00 H new ATOM 0 HB2 SER A 59 23.916 14.577 -1.778 1.00 0.00 H new ATOM 0 HB3 SER A 59 22.435 13.756 -1.326 1.00 0.00 H new ATOM 0 HG SER A 59 22.040 15.603 -2.672 1.00 0.00 H new ATOM 860 N GLY A 60 22.291 16.325 1.940 1.00 0.00 N ATOM 861 CA GLY A 60 21.184 16.864 2.708 1.00 0.00 C ATOM 862 C GLY A 60 20.992 18.351 2.483 1.00 0.00 C ATOM 863 O GLY A 60 20.318 18.777 1.544 1.00 0.00 O ATOM 0 H GLY A 60 23.204 16.715 2.173 1.00 0.00 H new ATOM 0 HA2 GLY A 60 20.268 16.338 2.438 1.00 0.00 H new ATOM 0 HA3 GLY A 60 21.357 16.679 3.768 1.00 0.00 H new ATOM 867 N PRO A 61 21.592 19.169 3.361 1.00 0.00 N ATOM 868 CA PRO A 61 21.497 20.629 3.275 1.00 0.00 C ATOM 869 C PRO A 61 22.261 21.190 2.080 1.00 0.00 C ATOM 870 O PRO A 61 22.328 22.405 1.889 1.00 0.00 O ATOM 871 CB PRO A 61 22.131 21.103 4.585 1.00 0.00 C ATOM 872 CG PRO A 61 23.055 20.003 4.979 1.00 0.00 C ATOM 873 CD PRO A 61 22.410 18.730 4.504 1.00 0.00 C ATOM 0 HA PRO A 61 20.469 20.963 3.137 1.00 0.00 H new ATOM 0 HB2 PRO A 61 22.668 22.041 4.448 1.00 0.00 H new ATOM 0 HB3 PRO A 61 21.375 21.278 5.350 1.00 0.00 H new ATOM 0 HG2 PRO A 61 24.037 20.136 4.524 1.00 0.00 H new ATOM 0 HG3 PRO A 61 23.203 19.986 6.059 1.00 0.00 H new ATOM 0 HD2 PRO A 61 23.153 17.990 4.206 1.00 0.00 H new ATOM 0 HD3 PRO A 61 21.800 18.273 5.283 1.00 0.00 H new ATOM 881 N SER A 62 22.834 20.299 1.278 1.00 0.00 N ATOM 882 CA SER A 62 23.596 20.706 0.103 1.00 0.00 C ATOM 883 C SER A 62 22.689 21.368 -0.930 1.00 0.00 C ATOM 884 O SER A 62 22.847 22.547 -1.246 1.00 0.00 O ATOM 885 CB SER A 62 24.299 19.498 -0.519 1.00 0.00 C ATOM 886 OG SER A 62 25.431 19.898 -1.270 1.00 0.00 O ATOM 0 H SER A 62 22.785 19.290 1.420 1.00 0.00 H new ATOM 0 HA SER A 62 24.346 21.430 0.420 1.00 0.00 H new ATOM 0 HB2 SER A 62 24.605 18.807 0.267 1.00 0.00 H new ATOM 0 HB3 SER A 62 23.603 18.960 -1.163 1.00 0.00 H new ATOM 0 HG SER A 62 25.864 19.108 -1.656 1.00 0.00 H new ATOM 892 N SER A 63 21.738 20.600 -1.452 1.00 0.00 N ATOM 893 CA SER A 63 20.807 21.110 -2.452 1.00 0.00 C ATOM 894 C SER A 63 19.454 20.414 -2.340 1.00 0.00 C ATOM 895 O SER A 63 19.379 19.222 -2.044 1.00 0.00 O ATOM 896 CB SER A 63 21.379 20.915 -3.858 1.00 0.00 C ATOM 897 OG SER A 63 21.702 19.555 -4.093 1.00 0.00 O ATOM 0 H SER A 63 21.592 19.623 -1.199 1.00 0.00 H new ATOM 0 HA SER A 63 20.664 22.175 -2.270 1.00 0.00 H new ATOM 0 HB2 SER A 63 20.655 21.253 -4.599 1.00 0.00 H new ATOM 0 HB3 SER A 63 22.271 21.530 -3.980 1.00 0.00 H new ATOM 0 HG SER A 63 22.064 19.456 -4.998 1.00 0.00 H new ATOM 903 N GLY A 64 18.386 21.168 -2.579 1.00 0.00 N ATOM 904 CA GLY A 64 17.049 20.608 -2.499 1.00 0.00 C ATOM 905 C GLY A 64 16.190 20.987 -3.689 1.00 0.00 C ATOM 906 O GLY A 64 15.134 21.588 -3.499 1.00 0.00 O ATOM 0 H GLY A 64 18.422 22.157 -2.827 1.00 0.00 H new ATOM 0 HA2 GLY A 64 17.116 19.522 -2.435 1.00 0.00 H new ATOM 0 HA3 GLY A 64 16.568 20.952 -1.583 1.00 0.00 H new TER 910 GLY A 64 HETATM 911 ZN ZN A 200 3.514 -7.847 -1.771 1.00 0.00 ZN HETATM 912 ZN ZN A 400 8.769 2.960 2.903 1.00 0.00 ZN