USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 553 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 79 THR OG1 : rot 180:sc= -0.729 USER MOD Set 1.2: A 87 GLN : amide:sc= -9.83! C(o=-11!,f=-25!) USER MOD Set 2.1: A 69 SER OG : rot -62:sc= 0.837 USER MOD Set 2.2: A 70 ASN : amide:sc= -0.28 K(o=0.56,f=-2.6) USER MOD Set 3.1: A 66 ASN :FLIP amide:sc= -4.41! C(o=-7.9!,f=-6.7!) USER MOD Set 3.2: A 73 GLN : amide:sc= -2.31 K(o=-6.7,f=-11!) USER MOD Set 4.1: A 31 THR OG1 : rot 152:sc= -7.84! USER MOD Set 4.2: A 39 GLN : amide:sc= -6.29! C(o=-14!,f=-17!) USER MOD Set 5.1: A 21 SER OG : rot 34:sc= 0.78 USER MOD Set 5.2: A 22 ASN :FLIP amide:sc= -4.53! C(o=-5!,f=-3.8!) USER MOD Set 6.1: A 1 GLY N :NH3+ -156:sc= -24.1! (180deg=-15.7!) USER MOD Set 6.2: A 23 ASN :FLIP amide:sc= -18.6! C(o=-46!,f=-43!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 34:sc= 0.875 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -0.041 X(o=-0.041,f=-0.1) USER MOD Single : A 12 ASN : amide:sc= -1.93! C(o=-1.9!,f=-6.4!) USER MOD Single : A 13 ASN : amide:sc= -1.9 K(o=-1.9,f=-3.2) USER MOD Single : A 18 ASN : amide:sc= -9.07! C(o=-9.1!,f=-17!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 SER OG : rot 1:sc= 0.91 USER MOD Single : A 34 SER OG : rot -47:sc= 0.0532 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 160:sc= -3.68! USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -151:sc= -0.931! (180deg=-1.61!) USER MOD Single : A 53 THR OG1 : rot -133:sc= -5.82! USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0373) USER MOD Single : A 71 SER OG : rot 24:sc= 0.326! USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 HIS : no HE2:sc= -5.96! C(o=-6!,f=-6.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.042 -5.401 3.827 1.00 1.00 N ATOM 2 CA GLY A 1 6.620 -6.266 2.968 1.00 1.00 C ATOM 3 C GLY A 1 6.332 -7.505 3.663 1.00 1.00 C ATOM 4 O GLY A 1 7.069 -8.450 3.476 1.00 1.00 O ATOM 0 H1 GLY A 1 6.870 -4.441 3.466 1.00 1.00 H new ATOM 0 H2 GLY A 1 6.535 -5.529 4.726 1.00 1.00 H new ATOM 0 H3 GLY A 1 8.062 -5.535 3.982 1.00 1.00 H new ATOM 0 HA2 GLY A 1 5.725 -5.896 2.467 1.00 1.00 H new ATOM 0 HA3 GLY A 1 7.372 -6.431 2.196 1.00 1.00 H new ATOM 10 N SER A 2 5.223 -7.597 4.601 1.00 1.00 N ATOM 11 CA SER A 2 5.034 -8.896 5.311 1.00 1.00 C ATOM 12 C SER A 2 4.031 -9.690 4.644 1.00 1.00 C ATOM 13 O SER A 2 4.332 -10.771 4.124 1.00 1.00 O ATOM 14 CB SER A 2 4.673 -8.672 6.771 1.00 1.00 C ATOM 15 OG SER A 2 5.081 -9.786 7.552 1.00 1.00 O ATOM 0 H SER A 2 4.558 -6.856 4.822 1.00 1.00 H new ATOM 0 HA SER A 2 5.977 -9.443 5.285 1.00 1.00 H new ATOM 0 HB2 SER A 2 5.154 -7.765 7.138 1.00 1.00 H new ATOM 0 HB3 SER A 2 3.598 -8.524 6.869 1.00 1.00 H new ATOM 0 HG SER A 2 4.846 -9.631 8.491 1.00 1.00 H new ATOM 21 N GLY A 3 2.863 -9.277 4.704 1.00 1.00 N ATOM 22 CA GLY A 3 1.795 -10.012 4.129 1.00 1.00 C ATOM 23 C GLY A 3 0.630 -9.127 3.897 1.00 1.00 C ATOM 24 O GLY A 3 0.682 -7.957 4.195 1.00 1.00 O ATOM 0 H GLY A 3 2.585 -8.406 5.156 1.00 1.00 H new ATOM 0 HA2 GLY A 3 2.116 -10.457 3.187 1.00 1.00 H new ATOM 0 HA3 GLY A 3 1.512 -10.832 4.789 1.00 1.00 H new ATOM 28 N PRO A 4 -0.442 -9.656 3.364 1.00 1.00 N ATOM 29 CA PRO A 4 -1.644 -8.851 3.094 1.00 1.00 C ATOM 30 C PRO A 4 -2.069 -8.286 4.251 1.00 1.00 C ATOM 31 O PRO A 4 -2.935 -8.832 4.903 1.00 1.00 O ATOM 32 CB PRO A 4 -2.689 -9.848 2.554 1.00 1.00 C ATOM 33 CG PRO A 4 -2.126 -11.206 2.912 1.00 1.00 C ATOM 34 CD PRO A 4 -0.602 -11.027 2.990 1.00 1.00 C ATOM 0 HA PRO A 4 -1.463 -8.046 2.382 1.00 1.00 H new ATOM 0 HB2 PRO A 4 -3.665 -9.688 3.012 1.00 1.00 H new ATOM 0 HB3 PRO A 4 -2.821 -9.743 1.477 1.00 1.00 H new ATOM 0 HG2 PRO A 4 -2.527 -11.556 3.863 1.00 1.00 H new ATOM 0 HG3 PRO A 4 -2.393 -11.949 2.161 1.00 1.00 H new ATOM 0 HD2 PRO A 4 -0.157 -11.697 3.725 1.00 1.00 H new ATOM 0 HD3 PRO A 4 -0.124 -11.240 2.034 1.00 1.00 H new ATOM 42 N THR A 5 -1.553 -7.206 4.587 1.00 1.00 N ATOM 43 CA THR A 5 -1.918 -6.571 5.766 1.00 1.00 C ATOM 44 C THR A 5 -0.845 -5.761 6.285 1.00 1.00 C ATOM 45 O THR A 5 -1.108 -5.001 7.103 1.00 1.00 O ATOM 46 CB THR A 5 -2.265 -7.545 6.957 1.00 1.00 C ATOM 47 OG1 THR A 5 -2.034 -6.874 8.211 1.00 1.00 O ATOM 48 CG2 THR A 5 -1.385 -8.890 6.934 1.00 1.00 C ATOM 0 H THR A 5 -0.844 -6.716 4.042 1.00 1.00 H new ATOM 0 HA THR A 5 -2.797 -5.999 5.469 1.00 1.00 H new ATOM 0 HB THR A 5 -3.313 -7.823 6.843 1.00 1.00 H new ATOM 0 HG1 THR A 5 -2.245 -5.922 8.116 1.00 1.00 H new ATOM 0 HG21 THR A 5 -1.666 -9.523 7.776 1.00 1.00 H new ATOM 0 HG22 THR A 5 -1.564 -9.426 6.002 1.00 1.00 H new ATOM 0 HG23 THR A 5 -0.328 -8.635 7.009 1.00 1.00 H new ATOM 56 N TYR A 6 0.572 -6.105 5.986 1.00 1.00 N ATOM 57 CA TYR A 6 1.585 -5.405 6.738 1.00 1.00 C ATOM 58 C TYR A 6 1.326 -4.204 6.988 1.00 1.00 C ATOM 59 O TYR A 6 1.800 -3.639 8.005 1.00 1.00 O ATOM 60 CB TYR A 6 2.984 -5.458 6.303 1.00 1.00 C ATOM 61 CG TYR A 6 3.877 -5.119 7.779 1.00 1.00 C ATOM 62 CD1 TYR A 6 4.053 -6.149 8.750 1.00 1.00 C ATOM 63 CD2 TYR A 6 4.385 -3.814 8.104 1.00 1.00 C ATOM 64 CE1 TYR A 6 4.719 -5.889 9.959 1.00 1.00 C ATOM 65 CE2 TYR A 6 5.047 -3.592 9.321 1.00 1.00 C ATOM 66 CZ TYR A 6 5.214 -4.623 10.233 1.00 1.00 C ATOM 67 OH TYR A 6 5.866 -4.383 11.429 1.00 1.00 O ATOM 0 H TYR A 6 0.898 -6.787 5.302 1.00 1.00 H new ATOM 0 HA TYR A 6 1.519 -6.032 7.627 1.00 1.00 H new ATOM 0 HB2 TYR A 6 3.241 -6.434 5.892 1.00 1.00 H new ATOM 0 HB3 TYR A 6 3.193 -4.721 5.528 1.00 1.00 H new ATOM 0 HD1 TYR A 6 3.670 -7.139 8.553 1.00 1.00 H new ATOM 0 HD2 TYR A 6 4.256 -2.999 7.407 1.00 1.00 H new ATOM 0 HE1 TYR A 6 4.847 -6.682 10.681 1.00 1.00 H new ATOM 0 HE2 TYR A 6 5.430 -2.609 9.550 1.00 1.00 H new ATOM 0 HH TYR A 6 6.152 -3.446 11.464 1.00 1.00 H new ATOM 77 N CYS A 7 0.556 -3.649 6.176 1.00 1.00 N ATOM 78 CA CYS A 7 0.216 -2.415 6.382 1.00 1.00 C ATOM 79 C CYS A 7 1.307 -1.484 6.674 1.00 1.00 C ATOM 80 O CYS A 7 1.197 -0.679 7.605 1.00 1.00 O ATOM 81 CB CYS A 7 -0.697 -2.394 7.506 1.00 1.00 C ATOM 82 SG CYS A 7 -1.408 -0.662 7.710 1.00 1.00 S ATOM 0 H CYS A 7 0.159 -4.086 5.344 1.00 1.00 H new ATOM 0 HA CYS A 7 -0.217 -2.069 5.444 1.00 1.00 H new ATOM 0 HB2 CYS A 7 -1.502 -3.112 7.347 1.00 1.00 H new ATOM 0 HB3 CYS A 7 -0.177 -2.694 8.416 1.00 1.00 H new ATOM 87 N TRP A 8 2.313 -1.526 5.900 1.00 1.00 N ATOM 88 CA TRP A 8 3.417 -0.504 6.102 1.00 1.00 C ATOM 89 C TRP A 8 2.667 0.732 6.446 1.00 1.00 C ATOM 90 O TRP A 8 1.937 1.185 5.598 1.00 1.00 O ATOM 91 CB TRP A 8 4.110 -0.274 4.845 1.00 1.00 C ATOM 92 CG TRP A 8 5.325 0.709 4.977 1.00 1.00 C ATOM 93 CD1 TRP A 8 5.561 1.859 4.211 1.00 1.00 C ATOM 94 CD2 TRP A 8 6.491 0.604 5.887 1.00 1.00 C ATOM 95 NE1 TRP A 8 6.762 2.387 4.561 1.00 1.00 N ATOM 96 CE2 TRP A 8 7.371 1.671 5.618 1.00 1.00 C ATOM 97 CE3 TRP A 8 6.867 -0.319 6.921 1.00 1.00 C ATOM 98 CZ2 TRP A 8 8.566 1.824 6.330 1.00 1.00 C ATOM 99 CZ3 TRP A 8 8.068 -0.143 7.624 1.00 1.00 C ATOM 100 CH2 TRP A 8 8.906 0.923 7.329 1.00 1.00 C ATOM 0 H TRP A 8 2.453 -2.193 5.141 1.00 1.00 H new ATOM 0 HA TRP A 8 4.151 -0.812 6.847 1.00 1.00 H new ATOM 0 HB2 TRP A 8 4.464 -1.228 4.454 1.00 1.00 H new ATOM 0 HB3 TRP A 8 3.405 0.127 4.117 1.00 1.00 H new ATOM 0 HD1 TRP A 8 4.894 2.261 3.462 1.00 1.00 H new ATOM 0 HE1 TRP A 8 7.177 3.205 4.114 1.00 1.00 H new ATOM 0 HE3 TRP A 8 6.222 -1.152 7.158 1.00 1.00 H new ATOM 0 HZ2 TRP A 8 9.227 2.647 6.101 1.00 1.00 H new ATOM 0 HZ3 TRP A 8 8.342 -0.842 8.400 1.00 1.00 H new ATOM 0 HH2 TRP A 8 9.826 1.052 7.879 1.00 1.00 H new ATOM 111 N ASN A 9 2.663 1.216 7.688 1.00 1.00 N ATOM 112 CA ASN A 9 1.783 2.321 8.031 1.00 1.00 C ATOM 113 C ASN A 9 1.464 3.223 6.924 1.00 1.00 C ATOM 114 O ASN A 9 0.336 3.702 6.806 1.00 1.00 O ATOM 115 CB ASN A 9 2.355 3.100 9.213 1.00 1.00 C ATOM 116 CG ASN A 9 2.355 2.225 10.466 1.00 1.00 C ATOM 117 OD1 ASN A 9 1.309 1.723 10.873 1.00 1.00 O ATOM 118 ND2 ASN A 9 3.473 2.014 11.103 1.00 1.00 N ATOM 0 H ASN A 9 3.244 0.869 8.451 1.00 1.00 H new ATOM 0 HA ASN A 9 0.832 1.864 8.304 1.00 1.00 H new ATOM 0 HB2 ASN A 9 3.370 3.426 8.987 1.00 1.00 H new ATOM 0 HB3 ASN A 9 1.763 3.999 9.387 1.00 1.00 H new ATOM 0 HD21 ASN A 9 3.481 1.432 11.940 1.00 1.00 H new ATOM 0 HD22 ASN A 9 4.340 2.431 10.764 1.00 1.00 H new ATOM 125 N GLU A 10 2.387 3.466 6.151 1.00 1.00 N ATOM 126 CA GLU A 10 2.216 4.339 5.046 1.00 1.00 C ATOM 127 C GLU A 10 1.472 5.626 5.478 1.00 1.00 C ATOM 128 O GLU A 10 0.455 6.030 4.879 1.00 1.00 O ATOM 129 CB GLU A 10 1.461 3.724 3.833 1.00 1.00 C ATOM 130 CG GLU A 10 2.322 2.855 3.077 1.00 1.00 C ATOM 131 CD GLU A 10 1.530 2.169 1.963 1.00 1.00 C ATOM 132 OE1 GLU A 10 0.715 2.835 1.344 1.00 1.00 O ATOM 133 OE2 GLU A 10 1.748 0.987 1.752 1.00 1.00 O ATOM 0 H GLU A 10 3.324 3.072 6.238 1.00 1.00 H new ATOM 0 HA GLU A 10 3.231 4.554 4.712 1.00 1.00 H new ATOM 0 HB2 GLU A 10 0.593 3.166 4.185 1.00 1.00 H new ATOM 0 HB3 GLU A 10 1.088 4.521 3.190 1.00 1.00 H new ATOM 0 HG2 GLU A 10 3.145 3.428 2.649 1.00 1.00 H new ATOM 0 HG3 GLU A 10 2.763 2.106 3.734 1.00 1.00 H new ATOM 140 N ALA A 11 2.046 6.280 6.453 1.00 1.00 N ATOM 141 CA ALA A 11 1.593 7.457 6.870 1.00 1.00 C ATOM 142 C ALA A 11 2.694 8.064 7.643 1.00 1.00 C ATOM 143 O ALA A 11 3.039 7.590 8.723 1.00 1.00 O ATOM 144 CB ALA A 11 0.378 7.352 7.639 1.00 1.00 C ATOM 0 H ALA A 11 2.867 5.944 6.956 1.00 1.00 H new ATOM 0 HA ALA A 11 1.314 8.082 6.022 1.00 1.00 H new ATOM 0 HB1 ALA A 11 0.058 8.346 7.951 1.00 1.00 H new ATOM 0 HB2 ALA A 11 -0.401 6.895 7.028 1.00 1.00 H new ATOM 0 HB3 ALA A 11 0.557 6.735 8.520 1.00 1.00 H new ATOM 150 N ASN A 12 3.166 9.071 7.150 1.00 1.00 N ATOM 151 CA ASN A 12 4.261 9.892 7.785 1.00 1.00 C ATOM 152 C ASN A 12 5.089 10.795 6.660 1.00 1.00 C ATOM 153 O ASN A 12 6.284 11.031 6.797 1.00 1.00 O ATOM 154 CB ASN A 12 5.215 8.952 8.602 1.00 1.00 C ATOM 155 CG ASN A 12 6.621 9.526 8.729 1.00 1.00 C ATOM 156 OD1 ASN A 12 7.537 9.091 8.031 1.00 1.00 O ATOM 157 ND2 ASN A 12 6.847 10.487 9.583 1.00 1.00 N ATOM 0 H ASN A 12 2.852 9.444 6.254 1.00 1.00 H new ATOM 0 HA ASN A 12 3.808 10.607 8.472 1.00 1.00 H new ATOM 0 HB2 ASN A 12 4.799 8.791 9.597 1.00 1.00 H new ATOM 0 HB3 ASN A 12 5.265 7.978 8.116 1.00 1.00 H new ATOM 0 HD21 ASN A 12 7.784 10.879 9.673 1.00 1.00 H new ATOM 0 HD22 ASN A 12 6.086 10.846 10.160 1.00 1.00 H new ATOM 164 N ASN A 13 4.353 11.365 5.632 1.00 1.00 N ATOM 165 CA ASN A 13 4.961 12.268 4.657 1.00 1.00 C ATOM 166 C ASN A 13 3.928 12.672 3.541 1.00 1.00 C ATOM 167 O ASN A 13 2.921 11.997 3.345 1.00 1.00 O ATOM 168 CB ASN A 13 6.191 11.640 3.997 1.00 1.00 C ATOM 169 CG ASN A 13 7.397 12.617 3.989 1.00 1.00 C ATOM 170 OD1 ASN A 13 7.949 12.915 2.929 1.00 1.00 O ATOM 171 ND2 ASN A 13 7.822 13.122 5.113 1.00 1.00 N ATOM 0 H ASN A 13 3.357 11.198 5.486 1.00 1.00 H new ATOM 0 HA ASN A 13 5.272 13.159 5.203 1.00 1.00 H new ATOM 0 HB2 ASN A 13 6.464 10.728 4.528 1.00 1.00 H new ATOM 0 HB3 ASN A 13 5.949 11.352 2.974 1.00 1.00 H new ATOM 0 HD21 ASN A 13 8.613 13.766 5.116 1.00 1.00 H new ATOM 0 HD22 ASN A 13 7.363 12.874 5.989 1.00 1.00 H new ATOM 178 N PRO A 14 4.207 13.764 2.801 1.00 1.00 N ATOM 179 CA PRO A 14 3.343 14.249 1.682 1.00 1.00 C ATOM 180 C PRO A 14 3.733 13.655 0.294 1.00 1.00 C ATOM 181 O PRO A 14 2.857 13.393 -0.531 1.00 1.00 O ATOM 182 CB PRO A 14 3.529 15.779 1.710 1.00 1.00 C ATOM 183 CG PRO A 14 4.635 16.005 2.722 1.00 1.00 C ATOM 184 CD PRO A 14 5.299 14.633 2.957 1.00 1.00 C ATOM 0 HA PRO A 14 2.308 13.936 1.817 1.00 1.00 H new ATOM 0 HB2 PRO A 14 3.804 16.164 0.728 1.00 1.00 H new ATOM 0 HB3 PRO A 14 2.610 16.286 2.005 1.00 1.00 H new ATOM 0 HG2 PRO A 14 5.360 16.728 2.349 1.00 1.00 H new ATOM 0 HG3 PRO A 14 4.234 16.406 3.653 1.00 1.00 H new ATOM 0 HD2 PRO A 14 6.090 14.431 2.235 1.00 1.00 H new ATOM 0 HD3 PRO A 14 5.745 14.557 3.949 1.00 1.00 H new ATOM 192 N GLY A 15 4.988 13.420 0.065 1.00 1.00 N ATOM 193 CA GLY A 15 5.420 12.806 -1.247 1.00 1.00 C ATOM 194 C GLY A 15 4.627 11.584 -1.436 1.00 1.00 C ATOM 195 O GLY A 15 3.963 11.343 -2.440 1.00 1.00 O ATOM 0 H GLY A 15 5.745 13.621 0.719 1.00 1.00 H new ATOM 0 HA2 GLY A 15 5.257 13.502 -2.070 1.00 1.00 H new ATOM 0 HA3 GLY A 15 6.485 12.575 -1.232 1.00 1.00 H new ATOM 199 N GLY A 16 4.727 10.900 -0.480 1.00 1.00 N ATOM 200 CA GLY A 16 4.095 9.650 -0.296 1.00 1.00 C ATOM 201 C GLY A 16 3.808 9.534 1.107 1.00 1.00 C ATOM 202 O GLY A 16 3.837 10.525 1.806 1.00 1.00 O ATOM 0 H GLY A 16 5.301 11.170 0.319 1.00 1.00 H new ATOM 0 HA2 GLY A 16 3.180 9.589 -0.884 1.00 1.00 H new ATOM 0 HA3 GLY A 16 4.741 8.837 -0.627 1.00 1.00 H new ATOM 206 N PRO A 17 3.541 8.395 1.600 1.00 1.00 N ATOM 207 CA PRO A 17 3.253 8.233 3.050 1.00 1.00 C ATOM 208 C PRO A 17 4.485 8.455 3.699 1.00 1.00 C ATOM 209 O PRO A 17 5.257 9.248 3.208 1.00 1.00 O ATOM 210 CB PRO A 17 2.868 6.744 3.070 1.00 1.00 C ATOM 211 CG PRO A 17 2.479 6.448 1.729 1.00 1.00 C ATOM 212 CD PRO A 17 3.466 7.154 0.925 1.00 1.00 C ATOM 0 HA PRO A 17 2.503 8.877 3.510 1.00 1.00 H new ATOM 0 HB2 PRO A 17 3.707 6.123 3.384 1.00 1.00 H new ATOM 0 HB3 PRO A 17 2.053 6.556 3.769 1.00 1.00 H new ATOM 0 HG2 PRO A 17 2.495 5.376 1.534 1.00 1.00 H new ATOM 0 HG3 PRO A 17 1.467 6.795 1.519 1.00 1.00 H new ATOM 0 HD2 PRO A 17 4.426 6.638 0.907 1.00 1.00 H new ATOM 0 HD3 PRO A 17 3.146 7.269 -0.111 1.00 1.00 H new ATOM 220 N ASN A 18 4.798 7.694 4.857 1.00 1.00 N ATOM 221 CA ASN A 18 6.126 7.812 5.464 1.00 1.00 C ATOM 222 C ASN A 18 7.140 7.924 4.299 1.00 1.00 C ATOM 223 O ASN A 18 8.333 8.131 4.502 1.00 1.00 O ATOM 224 CB ASN A 18 6.486 6.495 6.322 1.00 1.00 C ATOM 225 CG ASN A 18 5.239 5.649 6.583 1.00 1.00 C ATOM 226 OD1 ASN A 18 4.320 6.085 7.245 1.00 1.00 O ATOM 227 ND2 ASN A 18 5.175 4.441 6.094 1.00 1.00 N ATOM 0 H ASN A 18 4.160 7.049 5.323 1.00 1.00 H new ATOM 0 HA ASN A 18 6.156 8.676 6.128 1.00 1.00 H new ATOM 0 HB2 ASN A 18 7.227 5.901 5.788 1.00 1.00 H new ATOM 0 HB3 ASN A 18 6.936 6.787 7.271 1.00 1.00 H new ATOM 0 HD21 ASN A 18 4.353 3.863 6.268 1.00 1.00 H new ATOM 0 HD22 ASN A 18 5.947 4.074 5.538 1.00 1.00 H new ATOM 234 N ARG A 19 6.539 7.678 3.028 1.00 1.00 N ATOM 235 CA ARG A 19 7.170 7.648 1.835 1.00 1.00 C ATOM 236 C ARG A 19 7.582 6.418 1.766 1.00 1.00 C ATOM 237 O ARG A 19 8.620 6.103 2.267 1.00 1.00 O ATOM 238 CB ARG A 19 8.266 8.780 1.673 1.00 1.00 C ATOM 239 CG ARG A 19 7.597 9.985 0.986 1.00 1.00 C ATOM 240 CD ARG A 19 7.712 9.839 -0.589 1.00 1.00 C ATOM 241 NE ARG A 19 8.890 10.574 -1.073 1.00 1.00 N ATOM 242 CZ ARG A 19 8.980 10.985 -2.336 1.00 1.00 C ATOM 243 NH1 ARG A 19 8.018 10.725 -3.174 1.00 1.00 N ATOM 244 NH2 ARG A 19 10.036 11.647 -2.736 1.00 1.00 N ATOM 0 H ARG A 19 5.539 7.500 2.938 1.00 1.00 H new ATOM 0 HA ARG A 19 6.536 7.894 0.983 1.00 1.00 H new ATOM 0 HB2 ARG A 19 8.665 9.068 2.646 1.00 1.00 H new ATOM 0 HB3 ARG A 19 9.105 8.418 1.078 1.00 1.00 H new ATOM 0 HG2 ARG A 19 6.549 10.046 1.279 1.00 1.00 H new ATOM 0 HG3 ARG A 19 8.073 10.910 1.310 1.00 1.00 H new ATOM 0 HD2 ARG A 19 7.792 8.786 -0.861 1.00 1.00 H new ATOM 0 HD3 ARG A 19 6.811 10.224 -1.066 1.00 1.00 H new ATOM 0 HE ARG A 19 9.654 10.773 -0.427 1.00 1.00 H new ATOM 0 HH11 ARG A 19 7.196 10.207 -2.863 1.00 1.00 H new ATOM 0 HH12 ARG A 19 8.086 11.039 -4.142 1.00 1.00 H new ATOM 0 HH21 ARG A 19 10.791 11.848 -2.080 1.00 1.00 H new ATOM 0 HH22 ARG A 19 10.104 11.962 -3.704 1.00 1.00 H new ATOM 258 N CYS A 20 6.567 5.488 1.035 1.00 1.00 N ATOM 259 CA CYS A 20 6.767 4.015 0.834 1.00 1.00 C ATOM 260 C CYS A 20 8.208 3.938 1.307 1.00 1.00 C ATOM 261 O CYS A 20 9.049 4.646 0.750 1.00 1.00 O ATOM 262 CB CYS A 20 6.481 3.684 -0.715 1.00 1.00 C ATOM 263 SG CYS A 20 6.438 1.801 -1.234 1.00 1.00 S ATOM 0 H CYS A 20 5.690 5.832 0.643 1.00 1.00 H new ATOM 0 HA CYS A 20 6.132 3.293 1.348 1.00 1.00 H new ATOM 0 HB2 CYS A 20 5.524 4.130 -0.984 1.00 1.00 H new ATOM 0 HB3 CYS A 20 7.244 4.182 -1.313 1.00 1.00 H new ATOM 268 N SER A 21 8.497 3.233 2.302 1.00 1.00 N ATOM 269 CA SER A 21 9.946 3.310 2.882 1.00 1.00 C ATOM 270 C SER A 21 10.623 2.013 3.306 1.00 1.00 C ATOM 271 O SER A 21 11.703 2.056 3.885 1.00 1.00 O ATOM 272 CB SER A 21 9.840 4.259 4.103 1.00 1.00 C ATOM 273 OG SER A 21 10.808 3.899 5.090 1.00 1.00 O ATOM 0 H SER A 21 7.860 2.597 2.782 1.00 1.00 H new ATOM 0 HA SER A 21 10.590 3.647 2.070 1.00 1.00 H new ATOM 0 HB2 SER A 21 9.998 5.290 3.787 1.00 1.00 H new ATOM 0 HB3 SER A 21 8.838 4.206 4.529 1.00 1.00 H new ATOM 0 HG SER A 21 11.617 3.567 4.648 1.00 1.00 H new ATOM 279 N ASN A 22 10.068 0.915 3.011 1.00 1.00 N ATOM 280 CA ASN A 22 10.706 -0.350 3.363 1.00 1.00 C ATOM 281 C ASN A 22 10.199 -1.368 2.521 1.00 1.00 C ATOM 282 O ASN A 22 9.268 -1.156 1.822 1.00 1.00 O ATOM 283 CB ASN A 22 10.411 -0.698 4.842 1.00 1.00 C ATOM 284 CG ASN A 22 11.487 -0.087 5.778 1.00 1.00 C ATOM 285 OD1 ASN A 22 11.437 1.178 6.086 1.00 1.00 O flip ATOM 286 ND2 ASN A 22 12.388 -0.796 6.232 1.00 1.00 N flip ATOM 0 H ASN A 22 9.174 0.828 2.527 1.00 1.00 H new ATOM 0 HA ASN A 22 11.785 -0.265 3.232 1.00 1.00 H new ATOM 0 HB2 ASN A 22 9.426 -0.322 5.119 1.00 1.00 H new ATOM 0 HB3 ASN A 22 10.386 -1.780 4.967 1.00 1.00 H new ATOM 0 HD21 ASN A 22 12.428 -1.786 5.991 1.00 1.00 H new ATOM 0 HD22 ASN A 22 13.093 -0.392 6.848 1.00 1.00 H new ATOM 293 N ASN A 23 10.752 -2.515 2.616 1.00 1.00 N ATOM 294 CA ASN A 23 10.258 -3.591 1.859 1.00 1.00 C ATOM 295 C ASN A 23 9.896 -3.169 0.381 1.00 1.00 C ATOM 296 O ASN A 23 8.750 -3.287 -0.049 1.00 1.00 O ATOM 297 CB ASN A 23 9.002 -4.174 2.639 1.00 1.00 C ATOM 298 CG ASN A 23 8.404 -3.179 3.744 1.00 1.00 C ATOM 299 OD1 ASN A 23 8.342 -3.578 4.975 1.00 1.00 O flip ATOM 300 ND2 ASN A 23 7.985 -2.084 3.462 1.00 1.00 N flip ATOM 0 H ASN A 23 11.550 -2.731 3.213 1.00 1.00 H new ATOM 0 HA ASN A 23 11.026 -4.357 1.751 1.00 1.00 H new ATOM 0 HB2 ASN A 23 8.219 -4.414 1.919 1.00 1.00 H new ATOM 0 HB3 ASN A 23 9.288 -5.108 3.122 1.00 1.00 H new ATOM 0 HD21 ASN A 23 8.027 -1.755 2.497 1.00 1.00 H new ATOM 0 HD22 ASN A 23 7.589 -1.487 4.188 1.00 1.00 H new ATOM 307 N LYS A 24 10.905 -2.550 -0.313 1.00 1.00 N ATOM 308 CA LYS A 24 10.732 -1.944 -1.676 1.00 1.00 C ATOM 309 C LYS A 24 9.978 -0.652 -1.514 1.00 1.00 C ATOM 310 O LYS A 24 9.496 -0.093 -2.469 1.00 1.00 O ATOM 311 CB LYS A 24 10.040 -2.794 -2.677 1.00 1.00 C ATOM 312 CG LYS A 24 10.719 -4.142 -2.855 1.00 1.00 C ATOM 313 CD LYS A 24 9.780 -5.090 -3.773 1.00 1.00 C ATOM 314 CE LYS A 24 10.427 -5.366 -5.185 1.00 1.00 C ATOM 315 NZ LYS A 24 10.110 -4.243 -6.110 1.00 1.00 N ATOM 0 H LYS A 24 11.852 -2.458 0.053 1.00 1.00 H new ATOM 0 HA LYS A 24 11.736 -1.806 -2.078 1.00 1.00 H new ATOM 0 HB2 LYS A 24 9.006 -2.948 -2.367 1.00 1.00 H new ATOM 0 HB3 LYS A 24 10.012 -2.274 -3.635 1.00 1.00 H new ATOM 0 HG2 LYS A 24 11.695 -4.013 -3.323 1.00 1.00 H new ATOM 0 HG3 LYS A 24 10.890 -4.608 -1.885 1.00 1.00 H new ATOM 0 HD2 LYS A 24 9.608 -6.037 -3.261 1.00 1.00 H new ATOM 0 HD3 LYS A 24 8.806 -4.618 -3.905 1.00 1.00 H new ATOM 0 HE2 LYS A 24 11.507 -5.475 -5.086 1.00 1.00 H new ATOM 0 HE3 LYS A 24 10.048 -6.303 -5.592 1.00 1.00 H new ATOM 0 HZ1 LYS A 24 10.538 -4.428 -7.040 1.00 1.00 H new ATOM 0 HZ2 LYS A 24 9.079 -4.159 -6.214 1.00 1.00 H new ATOM 0 HZ3 LYS A 24 10.492 -3.356 -5.723 1.00 1.00 H new ATOM 329 N GLN A 25 9.917 -0.237 -0.237 1.00 1.00 N ATOM 330 CA GLN A 25 9.284 0.946 0.220 1.00 1.00 C ATOM 331 C GLN A 25 7.947 0.680 0.685 1.00 1.00 C ATOM 332 O GLN A 25 7.369 1.531 1.274 1.00 1.00 O ATOM 333 CB GLN A 25 9.338 2.084 -0.808 1.00 1.00 C ATOM 334 CG GLN A 25 10.752 2.743 -0.817 1.00 1.00 C ATOM 335 CD GLN A 25 11.460 2.500 -2.161 1.00 1.00 C ATOM 336 OE1 GLN A 25 12.497 1.844 -2.207 1.00 1.00 O ATOM 337 NE2 GLN A 25 10.948 2.996 -3.256 1.00 1.00 N ATOM 0 H GLN A 25 10.341 -0.770 0.522 1.00 1.00 H new ATOM 0 HA GLN A 25 9.856 1.302 1.077 1.00 1.00 H new ATOM 0 HB2 GLN A 25 9.104 1.698 -1.800 1.00 1.00 H new ATOM 0 HB3 GLN A 25 8.582 2.833 -0.571 1.00 1.00 H new ATOM 0 HG2 GLN A 25 10.660 3.814 -0.638 1.00 1.00 H new ATOM 0 HG3 GLN A 25 11.354 2.335 -0.005 1.00 1.00 H new ATOM 0 HE21 GLN A 25 10.086 3.541 -3.215 1.00 1.00 H new ATOM 0 HE22 GLN A 25 11.410 2.839 -4.152 1.00 1.00 H new ATOM 346 N CYS A 26 7.386 -0.521 0.469 1.00 1.00 N ATOM 347 CA CYS A 26 5.979 -0.750 1.002 1.00 1.00 C ATOM 348 C CYS A 26 5.969 -1.923 1.831 1.00 1.00 C ATOM 349 O CYS A 26 6.825 -2.728 1.675 1.00 1.00 O ATOM 350 CB CYS A 26 5.084 -0.882 -0.183 1.00 1.00 C ATOM 351 SG CYS A 26 4.604 0.911 -0.761 1.00 1.00 S ATOM 0 H CYS A 26 7.816 -1.304 -0.023 1.00 1.00 H new ATOM 0 HA CYS A 26 5.632 0.076 1.623 1.00 1.00 H new ATOM 0 HB2 CYS A 26 5.588 -1.421 -0.985 1.00 1.00 H new ATOM 0 HB3 CYS A 26 4.192 -1.453 0.073 1.00 1.00 H new ATOM 356 N ASP A 27 5.036 -2.113 2.667 1.00 1.00 N ATOM 357 CA ASP A 27 4.929 -3.291 3.491 1.00 1.00 C ATOM 358 C ASP A 27 3.644 -3.817 3.215 1.00 1.00 C ATOM 359 O ASP A 27 2.712 -3.089 2.869 1.00 1.00 O ATOM 360 CB ASP A 27 5.190 -3.026 5.054 1.00 1.00 C ATOM 361 CG ASP A 27 5.761 -4.256 5.761 1.00 1.00 C ATOM 362 OD1 ASP A 27 5.378 -5.346 5.421 1.00 1.00 O ATOM 363 OD2 ASP A 27 6.585 -4.072 6.640 1.00 1.00 O ATOM 0 H ASP A 27 4.284 -1.441 2.821 1.00 1.00 H new ATOM 0 HA ASP A 27 5.715 -4.006 3.249 1.00 1.00 H new ATOM 0 HB2 ASP A 27 5.880 -2.190 5.169 1.00 1.00 H new ATOM 0 HB3 ASP A 27 4.255 -2.735 5.533 1.00 1.00 H new ATOM 368 N GLY A 28 3.568 -5.132 3.239 1.00 1.00 N ATOM 369 CA GLY A 28 2.433 -5.824 2.878 1.00 1.00 C ATOM 370 C GLY A 28 2.814 -7.180 2.051 1.00 1.00 C ATOM 371 O GLY A 28 2.030 -7.677 1.375 1.00 1.00 O ATOM 0 H GLY A 28 4.342 -5.732 3.526 1.00 1.00 H new ATOM 0 HA2 GLY A 28 1.863 -6.085 3.769 1.00 1.00 H new ATOM 0 HA3 GLY A 28 1.794 -5.188 2.266 1.00 1.00 H new ATOM 375 N ALA A 29 4.062 -7.730 2.268 1.00 1.00 N ATOM 376 CA ALA A 29 4.542 -9.050 1.643 1.00 1.00 C ATOM 377 C ALA A 29 5.996 -9.022 1.186 1.00 1.00 C ATOM 378 O ALA A 29 6.640 -10.065 1.122 1.00 1.00 O ATOM 379 CB ALA A 29 3.610 -9.548 0.475 1.00 1.00 C ATOM 0 H ALA A 29 4.761 -7.291 2.867 1.00 1.00 H new ATOM 0 HA ALA A 29 4.478 -9.770 2.458 1.00 1.00 H new ATOM 0 HB1 ALA A 29 3.999 -10.483 0.073 1.00 1.00 H new ATOM 0 HB2 ALA A 29 2.602 -9.709 0.857 1.00 1.00 H new ATOM 0 HB3 ALA A 29 3.583 -8.797 -0.315 1.00 1.00 H new ATOM 385 N ARG A 30 6.483 -7.868 0.779 1.00 1.00 N ATOM 386 CA ARG A 30 7.910 -7.832 0.200 1.00 1.00 C ATOM 387 C ARG A 30 8.968 -8.719 1.095 1.00 1.00 C ATOM 388 O ARG A 30 8.683 -9.257 2.138 1.00 1.00 O ATOM 389 CB ARG A 30 8.537 -6.269 -0.229 1.00 1.00 C ATOM 390 CG ARG A 30 7.634 -5.578 -1.183 1.00 1.00 C ATOM 391 CD ARG A 30 6.496 -4.682 -0.538 1.00 1.00 C ATOM 392 NE ARG A 30 6.589 -3.389 -1.141 1.00 1.00 N ATOM 393 CZ ARG A 30 6.462 -3.236 -2.500 1.00 1.00 C ATOM 394 NH1 ARG A 30 6.157 -4.258 -3.240 1.00 1.00 N ATOM 395 NH2 ARG A 30 6.628 -2.062 -3.051 1.00 1.00 N ATOM 0 H ARG A 30 5.993 -6.974 0.811 1.00 1.00 H new ATOM 0 HA ARG A 30 7.798 -8.317 -0.770 1.00 1.00 H new ATOM 0 HB2 ARG A 30 8.657 -5.662 0.669 1.00 1.00 H new ATOM 0 HB3 ARG A 30 9.526 -6.379 -0.674 1.00 1.00 H new ATOM 0 HG2 ARG A 30 8.240 -4.948 -1.834 1.00 1.00 H new ATOM 0 HG3 ARG A 30 7.162 -6.330 -1.816 1.00 1.00 H new ATOM 0 HD2 ARG A 30 5.514 -5.120 -0.715 1.00 1.00 H new ATOM 0 HD3 ARG A 30 6.625 -4.614 0.542 1.00 1.00 H new ATOM 0 HE ARG A 30 6.752 -2.570 -0.555 1.00 1.00 H new ATOM 0 HH11 ARG A 30 6.012 -5.172 -2.812 1.00 1.00 H new ATOM 0 HH12 ARG A 30 6.062 -4.147 -4.249 1.00 1.00 H new ATOM 0 HH21 ARG A 30 6.853 -1.254 -2.471 1.00 1.00 H new ATOM 0 HH22 ARG A 30 6.532 -1.954 -4.061 1.00 1.00 H new ATOM 409 N THR A 31 10.042 -8.851 0.499 1.00 1.00 N ATOM 410 CA THR A 31 11.133 -9.593 0.859 1.00 1.00 C ATOM 411 C THR A 31 12.311 -8.855 0.696 1.00 1.00 C ATOM 412 O THR A 31 12.432 -8.313 -0.229 1.00 1.00 O ATOM 413 CB THR A 31 11.159 -10.714 -0.238 1.00 1.00 C ATOM 414 OG1 THR A 31 11.453 -10.226 -1.494 1.00 1.00 O ATOM 415 CG2 THR A 31 9.786 -11.368 -0.267 1.00 1.00 C ATOM 0 H THR A 31 10.202 -8.370 -0.386 1.00 1.00 H new ATOM 0 HA THR A 31 11.075 -9.933 1.893 1.00 1.00 H new ATOM 0 HB THR A 31 11.945 -11.425 0.018 1.00 1.00 H new ATOM 0 HG1 THR A 31 11.891 -10.925 -2.022 1.00 1.00 H new ATOM 0 HG21 THR A 31 9.773 -12.154 -1.022 1.00 1.00 H new ATOM 0 HG22 THR A 31 9.568 -11.800 0.710 1.00 1.00 H new ATOM 0 HG23 THR A 31 9.032 -10.620 -0.509 1.00 1.00 H new ATOM 423 N CYS A 32 13.188 -8.748 1.608 1.00 1.00 N ATOM 424 CA CYS A 32 14.437 -7.815 1.290 1.00 1.00 C ATOM 425 C CYS A 32 15.412 -8.505 0.468 1.00 1.00 C ATOM 426 O CYS A 32 15.177 -9.579 -0.060 1.00 1.00 O ATOM 427 CB CYS A 32 15.080 -7.061 2.610 1.00 1.00 C ATOM 428 SG CYS A 32 16.384 -5.875 2.176 1.00 1.00 S ATOM 0 H CYS A 32 13.172 -9.200 2.522 1.00 1.00 H new ATOM 0 HA CYS A 32 14.057 -6.984 0.696 1.00 1.00 H new ATOM 0 HB2 CYS A 32 14.287 -6.542 3.148 1.00 1.00 H new ATOM 0 HB3 CYS A 32 15.488 -7.810 3.288 1.00 1.00 H new ATOM 433 N SER A 33 16.471 -7.909 0.385 1.00 1.00 N ATOM 434 CA SER A 33 17.621 -8.495 -0.429 1.00 1.00 C ATOM 435 C SER A 33 18.322 -9.465 0.376 1.00 1.00 C ATOM 436 O SER A 33 19.255 -10.148 -0.048 1.00 1.00 O ATOM 437 CB SER A 33 18.451 -7.502 -1.023 1.00 1.00 C ATOM 438 OG SER A 33 19.608 -8.111 -1.582 1.00 1.00 O ATOM 0 H SER A 33 16.669 -7.013 0.830 1.00 1.00 H new ATOM 0 HA SER A 33 17.216 -9.020 -1.295 1.00 1.00 H new ATOM 0 HB2 SER A 33 17.899 -6.970 -1.798 1.00 1.00 H new ATOM 0 HB3 SER A 33 18.743 -6.764 -0.275 1.00 1.00 H new ATOM 0 HG SER A 33 19.566 -9.080 -1.445 1.00 1.00 H new ATOM 444 N SER A 34 17.790 -9.601 1.443 1.00 1.00 N ATOM 445 CA SER A 34 18.077 -10.502 2.420 1.00 1.00 C ATOM 446 C SER A 34 16.658 -11.248 2.724 1.00 1.00 C ATOM 447 O SER A 34 16.535 -11.956 3.722 1.00 1.00 O ATOM 448 CB SER A 34 18.547 -9.771 3.612 1.00 1.00 C ATOM 449 OG SER A 34 19.140 -10.685 4.531 1.00 1.00 O ATOM 0 H SER A 34 17.016 -8.996 1.716 1.00 1.00 H new ATOM 0 HA SER A 34 18.852 -11.215 2.139 1.00 1.00 H new ATOM 0 HB2 SER A 34 19.271 -9.010 3.322 1.00 1.00 H new ATOM 0 HB3 SER A 34 17.713 -9.253 4.086 1.00 1.00 H new ATOM 0 HG SER A 34 18.551 -11.460 4.648 1.00 1.00 H new ATOM 455 N SER A 35 15.551 -11.046 1.740 1.00 1.00 N ATOM 456 CA SER A 35 14.313 -11.619 1.848 1.00 1.00 C ATOM 457 C SER A 35 13.619 -11.086 2.965 1.00 1.00 C ATOM 458 O SER A 35 12.440 -11.366 3.188 1.00 1.00 O ATOM 459 CB SER A 35 14.402 -13.059 1.974 1.00 1.00 C ATOM 460 OG SER A 35 15.198 -13.585 0.920 1.00 1.00 O ATOM 0 H SER A 35 15.651 -10.458 0.912 1.00 1.00 H new ATOM 0 HA SER A 35 13.765 -11.389 0.934 1.00 1.00 H new ATOM 0 HB2 SER A 35 14.837 -13.323 2.938 1.00 1.00 H new ATOM 0 HB3 SER A 35 13.405 -13.498 1.944 1.00 1.00 H new ATOM 0 HG SER A 35 15.257 -14.559 1.010 1.00 1.00 H new ATOM 466 N GLY A 36 14.354 -10.309 3.728 1.00 1.00 N ATOM 467 CA GLY A 36 13.830 -9.726 4.876 1.00 1.00 C ATOM 468 C GLY A 36 12.536 -9.170 4.549 1.00 1.00 C ATOM 469 O GLY A 36 11.516 -9.732 4.909 1.00 1.00 O ATOM 0 H GLY A 36 15.331 -10.082 3.543 1.00 1.00 H new ATOM 0 HA2 GLY A 36 13.736 -10.467 5.670 1.00 1.00 H new ATOM 0 HA3 GLY A 36 14.497 -8.947 5.245 1.00 1.00 H new ATOM 473 N PHE A 37 12.559 -8.083 3.844 1.00 1.00 N ATOM 474 CA PHE A 37 11.461 -7.462 3.458 1.00 1.00 C ATOM 475 C PHE A 37 11.907 -6.181 2.783 1.00 1.00 C ATOM 476 O PHE A 37 11.913 -5.162 3.433 1.00 1.00 O ATOM 477 CB PHE A 37 10.504 -7.149 4.746 1.00 1.00 C ATOM 478 CG PHE A 37 11.255 -6.344 5.841 1.00 1.00 C ATOM 479 CD1 PHE A 37 12.028 -7.016 6.815 1.00 1.00 C ATOM 480 CD2 PHE A 37 11.160 -4.932 5.882 1.00 1.00 C ATOM 481 CE1 PHE A 37 12.692 -6.287 7.807 1.00 1.00 C ATOM 482 CE2 PHE A 37 11.831 -4.215 6.877 1.00 1.00 C ATOM 483 CZ PHE A 37 12.596 -4.891 7.838 1.00 1.00 C ATOM 0 H PHE A 37 13.420 -7.630 3.537 1.00 1.00 H new ATOM 0 HA PHE A 37 10.876 -8.074 2.772 1.00 1.00 H new ATOM 0 HB2 PHE A 37 9.628 -6.589 4.420 1.00 1.00 H new ATOM 0 HB3 PHE A 37 10.144 -8.087 5.168 1.00 1.00 H new ATOM 0 HD1 PHE A 37 12.106 -8.093 6.793 1.00 1.00 H new ATOM 0 HD2 PHE A 37 10.569 -4.409 5.145 1.00 1.00 H new ATOM 0 HE1 PHE A 37 13.281 -6.803 8.551 1.00 1.00 H new ATOM 0 HE2 PHE A 37 11.760 -3.138 6.905 1.00 1.00 H new ATOM 0 HZ PHE A 37 13.113 -4.333 8.605 1.00 1.00 H new ATOM 493 N CYS A 38 12.394 -6.204 1.351 1.00 1.00 N ATOM 494 CA CYS A 38 12.872 -4.970 0.611 1.00 1.00 C ATOM 495 C CYS A 38 13.079 -5.264 -0.793 1.00 1.00 C ATOM 496 O CYS A 38 13.804 -4.591 -1.523 1.00 1.00 O ATOM 497 CB CYS A 38 14.121 -4.299 1.260 1.00 1.00 C ATOM 498 SG CYS A 38 15.635 -4.986 0.606 1.00 1.00 S ATOM 0 H CYS A 38 12.432 -7.055 0.790 1.00 1.00 H new ATOM 0 HA CYS A 38 12.077 -4.229 0.693 1.00 1.00 H new ATOM 0 HB2 CYS A 38 14.097 -3.225 1.077 1.00 1.00 H new ATOM 0 HB3 CYS A 38 14.092 -4.439 2.341 1.00 1.00 H new ATOM 503 N GLN A 39 12.474 -6.291 -1.132 1.00 1.00 N ATOM 504 CA GLN A 39 12.500 -6.869 -2.397 1.00 1.00 C ATOM 505 C GLN A 39 11.319 -7.803 -2.499 1.00 1.00 C ATOM 506 O GLN A 39 10.858 -8.254 -1.559 1.00 1.00 O ATOM 507 CB GLN A 39 13.913 -7.587 -2.538 1.00 1.00 C ATOM 508 CG GLN A 39 13.877 -9.098 -2.425 1.00 1.00 C ATOM 509 CD GLN A 39 13.107 -9.718 -3.599 1.00 1.00 C ATOM 510 OE1 GLN A 39 12.610 -10.842 -3.493 1.00 1.00 O ATOM 511 NE2 GLN A 39 12.982 -9.046 -4.716 1.00 1.00 N ATOM 0 H GLN A 39 11.887 -6.810 -0.479 1.00 1.00 H new ATOM 0 HA GLN A 39 12.406 -6.157 -3.217 1.00 1.00 H new ATOM 0 HB2 GLN A 39 14.345 -7.320 -3.502 1.00 1.00 H new ATOM 0 HB3 GLN A 39 14.581 -7.196 -1.770 1.00 1.00 H new ATOM 0 HG2 GLN A 39 14.894 -9.489 -2.405 1.00 1.00 H new ATOM 0 HG3 GLN A 39 13.407 -9.385 -1.485 1.00 1.00 H new ATOM 0 HE21 GLN A 39 13.394 -8.117 -4.801 1.00 1.00 H new ATOM 0 HE22 GLN A 39 12.473 -9.452 -5.501 1.00 1.00 H new ATOM 520 N GLY A 40 10.776 -7.997 -3.687 1.00 1.00 N ATOM 521 CA GLY A 40 9.575 -8.886 -3.814 1.00 1.00 C ATOM 522 C GLY A 40 8.246 -8.189 -4.185 1.00 1.00 C ATOM 523 O GLY A 40 8.055 -7.753 -5.320 1.00 1.00 O ATOM 0 H GLY A 40 11.109 -7.584 -4.558 1.00 1.00 H new ATOM 0 HA2 GLY A 40 9.787 -9.643 -4.569 1.00 1.00 H new ATOM 0 HA3 GLY A 40 9.435 -9.410 -2.868 1.00 1.00 H new ATOM 527 N THR A 41 7.275 -8.191 -3.204 1.00 1.00 N ATOM 528 CA THR A 41 5.883 -7.641 -3.474 1.00 1.00 C ATOM 529 C THR A 41 5.100 -7.107 -2.126 1.00 1.00 C ATOM 530 O THR A 41 5.261 -7.660 -1.107 1.00 1.00 O ATOM 531 CB THR A 41 5.069 -8.855 -4.089 1.00 1.00 C ATOM 532 OG1 THR A 41 4.468 -8.453 -5.310 1.00 1.00 O ATOM 533 CG2 THR A 41 3.981 -9.358 -3.129 1.00 1.00 C ATOM 0 H THR A 41 7.415 -8.549 -2.259 1.00 1.00 H new ATOM 0 HA THR A 41 5.962 -6.774 -4.130 1.00 1.00 H new ATOM 0 HB THR A 41 5.770 -9.672 -4.262 1.00 1.00 H new ATOM 0 HG1 THR A 41 3.966 -9.204 -5.691 1.00 1.00 H new ATOM 0 HG21 THR A 41 3.447 -10.190 -3.588 1.00 1.00 H new ATOM 0 HG22 THR A 41 4.442 -9.692 -2.199 1.00 1.00 H new ATOM 0 HG23 THR A 41 3.281 -8.550 -2.917 1.00 1.00 H new ATOM 541 N SER A 42 4.224 -6.112 -2.260 1.00 1.00 N ATOM 542 CA SER A 42 3.372 -5.631 -1.071 1.00 1.00 C ATOM 543 C SER A 42 2.049 -6.054 -1.289 1.00 1.00 C ATOM 544 O SER A 42 1.223 -5.279 -1.783 1.00 1.00 O ATOM 545 CB SER A 42 3.401 -4.004 -0.860 1.00 1.00 C ATOM 546 OG SER A 42 3.966 -3.397 -1.979 1.00 1.00 O ATOM 0 H SER A 42 4.057 -5.610 -3.132 1.00 1.00 H new ATOM 0 HA SER A 42 3.793 -6.061 -0.162 1.00 1.00 H new ATOM 0 HB2 SER A 42 2.389 -3.630 -0.703 1.00 1.00 H new ATOM 0 HB3 SER A 42 3.976 -3.753 0.031 1.00 1.00 H new ATOM 0 HG SER A 42 3.702 -2.454 -2.008 1.00 1.00 H new ATOM 552 N ARG A 43 1.740 -7.325 -0.927 1.00 1.00 N ATOM 553 CA ARG A 43 0.417 -7.878 -1.087 1.00 1.00 C ATOM 554 C ARG A 43 -0.323 -7.262 -2.148 1.00 1.00 C ATOM 555 O ARG A 43 -1.339 -6.658 -1.930 1.00 1.00 O ATOM 556 CB ARG A 43 -0.326 -7.860 0.248 1.00 1.00 C ATOM 557 CG ARG A 43 -0.222 -6.381 0.988 1.00 1.00 C ATOM 558 CD ARG A 43 -1.520 -5.546 0.574 1.00 1.00 C ATOM 559 NE ARG A 43 -1.761 -4.512 1.555 1.00 1.00 N ATOM 560 CZ ARG A 43 -0.879 -3.522 1.720 1.00 1.00 C ATOM 561 NH1 ARG A 43 0.183 -3.466 0.961 1.00 1.00 N ATOM 562 NH2 ARG A 43 -1.083 -2.601 2.627 1.00 1.00 N ATOM 0 H ARG A 43 2.414 -7.974 -0.520 1.00 1.00 H new ATOM 0 HA ARG A 43 0.525 -8.918 -1.395 1.00 1.00 H new ATOM 0 HB2 ARG A 43 -1.374 -8.112 0.085 1.00 1.00 H new ATOM 0 HB3 ARG A 43 0.087 -8.625 0.905 1.00 1.00 H new ATOM 0 HG2 ARG A 43 -0.169 -6.497 2.071 1.00 1.00 H new ATOM 0 HG3 ARG A 43 0.684 -5.860 0.679 1.00 1.00 H new ATOM 0 HD2 ARG A 43 -1.381 -5.102 -0.412 1.00 1.00 H new ATOM 0 HD3 ARG A 43 -2.384 -6.207 0.507 1.00 1.00 H new ATOM 0 HE ARG A 43 -2.608 -4.538 2.123 1.00 1.00 H new ATOM 0 HH11 ARG A 43 0.337 -4.177 0.245 1.00 1.00 H new ATOM 0 HH12 ARG A 43 0.859 -2.712 1.084 1.00 1.00 H new ATOM 0 HH21 ARG A 43 -1.918 -2.637 3.212 1.00 1.00 H new ATOM 0 HH22 ARG A 43 -0.407 -1.847 2.749 1.00 1.00 H new ATOM 576 N LYS A 44 0.167 -7.515 -3.418 1.00 1.00 N ATOM 577 CA LYS A 44 -0.534 -7.031 -4.591 1.00 1.00 C ATOM 578 C LYS A 44 -1.861 -7.204 -4.355 1.00 1.00 C ATOM 579 O LYS A 44 -2.288 -8.258 -4.437 1.00 1.00 O ATOM 580 CB LYS A 44 -0.150 -7.809 -5.846 1.00 1.00 C ATOM 581 CG LYS A 44 -0.983 -7.251 -7.038 1.00 1.00 C ATOM 582 CD LYS A 44 -0.396 -7.769 -8.369 1.00 1.00 C ATOM 583 CE LYS A 44 -1.409 -7.559 -9.516 1.00 1.00 C ATOM 584 NZ LYS A 44 -0.995 -8.374 -10.699 1.00 1.00 N ATOM 0 H LYS A 44 1.021 -8.038 -3.614 1.00 1.00 H new ATOM 0 HA LYS A 44 -0.274 -5.986 -4.763 1.00 1.00 H new ATOM 0 HB2 LYS A 44 0.916 -7.705 -6.046 1.00 1.00 H new ATOM 0 HB3 LYS A 44 -0.347 -8.872 -5.709 1.00 1.00 H new ATOM 0 HG2 LYS A 44 -2.024 -7.560 -6.943 1.00 1.00 H new ATOM 0 HG3 LYS A 44 -0.972 -6.161 -7.024 1.00 1.00 H new ATOM 0 HD2 LYS A 44 0.533 -7.245 -8.594 1.00 1.00 H new ATOM 0 HD3 LYS A 44 -0.151 -8.827 -8.279 1.00 1.00 H new ATOM 0 HE2 LYS A 44 -2.408 -7.850 -9.192 1.00 1.00 H new ATOM 0 HE3 LYS A 44 -1.456 -6.504 -9.786 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 -1.676 -8.234 -11.473 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 -0.049 -8.076 -11.012 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 -0.972 -9.380 -10.436 1.00 1.00 H new ATOM 598 N PRO A 45 -2.638 -6.140 -3.977 1.00 1.00 N ATOM 599 CA PRO A 45 -4.062 -6.311 -3.719 1.00 1.00 C ATOM 600 C PRO A 45 -4.594 -6.979 -4.873 1.00 1.00 C ATOM 601 O PRO A 45 -5.304 -6.420 -5.707 1.00 1.00 O ATOM 602 CB PRO A 45 -4.555 -4.925 -3.536 1.00 1.00 C ATOM 603 CG PRO A 45 -3.373 -4.230 -2.998 1.00 1.00 C ATOM 604 CD PRO A 45 -2.236 -4.772 -3.764 1.00 1.00 C ATOM 0 HA PRO A 45 -4.340 -6.906 -2.849 1.00 1.00 H new ATOM 0 HB2 PRO A 45 -4.890 -4.487 -4.476 1.00 1.00 H new ATOM 0 HB3 PRO A 45 -5.398 -4.883 -2.847 1.00 1.00 H new ATOM 0 HG2 PRO A 45 -3.457 -3.151 -3.125 1.00 1.00 H new ATOM 0 HG3 PRO A 45 -3.256 -4.417 -1.931 1.00 1.00 H new ATOM 0 HD2 PRO A 45 -2.087 -4.240 -4.704 1.00 1.00 H new ATOM 0 HD3 PRO A 45 -1.301 -4.704 -3.208 1.00 1.00 H new ATOM 612 N ASP A 46 -4.114 -8.185 -4.990 1.00 1.00 N ATOM 613 CA ASP A 46 -4.384 -8.982 -6.122 1.00 1.00 C ATOM 614 C ASP A 46 -5.810 -9.596 -6.051 1.00 1.00 C ATOM 615 O ASP A 46 -6.461 -9.526 -5.010 1.00 1.00 O ATOM 616 CB ASP A 46 -3.240 -10.173 -6.346 1.00 1.00 C ATOM 617 CG ASP A 46 -3.841 -11.580 -6.145 1.00 1.00 C ATOM 618 OD1 ASP A 46 -4.598 -11.752 -5.213 1.00 1.00 O ATOM 619 OD2 ASP A 46 -3.524 -12.452 -6.934 1.00 1.00 O ATOM 0 H ASP A 46 -3.522 -8.633 -4.290 1.00 1.00 H new ATOM 0 HA ASP A 46 -4.336 -8.321 -6.988 1.00 1.00 H new ATOM 0 HB2 ASP A 46 -2.823 -10.094 -7.350 1.00 1.00 H new ATOM 0 HB3 ASP A 46 -2.417 -10.025 -5.647 1.00 1.00 H new ATOM 624 N PRO A 47 -6.294 -10.228 -7.138 1.00 1.00 N ATOM 625 CA PRO A 47 -7.639 -10.877 -7.140 1.00 1.00 C ATOM 626 C PRO A 47 -7.676 -12.104 -6.180 1.00 1.00 C ATOM 627 O PRO A 47 -8.013 -13.214 -6.584 1.00 1.00 O ATOM 628 CB PRO A 47 -7.849 -11.307 -8.637 1.00 1.00 C ATOM 629 CG PRO A 47 -6.787 -10.570 -9.414 1.00 1.00 C ATOM 630 CD PRO A 47 -5.624 -10.379 -8.454 1.00 1.00 C ATOM 0 HA PRO A 47 -8.427 -10.213 -6.785 1.00 1.00 H new ATOM 0 HB2 PRO A 47 -7.746 -12.386 -8.755 1.00 1.00 H new ATOM 0 HB3 PRO A 47 -8.847 -11.042 -8.986 1.00 1.00 H new ATOM 0 HG2 PRO A 47 -6.480 -11.139 -10.291 1.00 1.00 H new ATOM 0 HG3 PRO A 47 -7.160 -9.610 -9.771 1.00 1.00 H new ATOM 0 HD2 PRO A 47 -4.947 -11.233 -8.466 1.00 1.00 H new ATOM 0 HD3 PRO A 47 -5.032 -9.500 -8.708 1.00 1.00 H new ATOM 638 N GLY A 48 -7.331 -11.862 -4.904 1.00 1.00 N ATOM 639 CA GLY A 48 -7.332 -12.919 -3.883 1.00 1.00 C ATOM 640 C GLY A 48 -7.866 -12.334 -2.621 1.00 1.00 C ATOM 641 O GLY A 48 -9.041 -12.506 -2.299 1.00 1.00 O ATOM 0 H GLY A 48 -7.049 -10.945 -4.557 1.00 1.00 H new ATOM 0 HA2 GLY A 48 -7.947 -13.760 -4.204 1.00 1.00 H new ATOM 0 HA3 GLY A 48 -6.323 -13.302 -3.729 1.00 1.00 H new ATOM 645 N PRO A 49 -7.062 -11.573 -1.918 1.00 1.00 N ATOM 646 CA PRO A 49 -7.519 -10.908 -0.745 1.00 1.00 C ATOM 647 C PRO A 49 -8.688 -10.017 -1.102 1.00 1.00 C ATOM 648 O PRO A 49 -9.839 -10.413 -0.912 1.00 1.00 O ATOM 649 CB PRO A 49 -6.280 -10.083 -0.222 1.00 1.00 C ATOM 650 CG PRO A 49 -5.240 -10.153 -1.298 1.00 1.00 C ATOM 651 CD PRO A 49 -5.644 -11.302 -2.218 1.00 1.00 C ATOM 0 HA PRO A 49 -7.872 -11.591 0.027 1.00 1.00 H new ATOM 0 HB2 PRO A 49 -6.560 -9.049 -0.019 1.00 1.00 H new ATOM 0 HB3 PRO A 49 -5.902 -10.500 0.711 1.00 1.00 H new ATOM 0 HG2 PRO A 49 -5.189 -9.214 -1.850 1.00 1.00 H new ATOM 0 HG3 PRO A 49 -4.252 -10.327 -0.872 1.00 1.00 H new ATOM 0 HD2 PRO A 49 -5.510 -11.031 -3.265 1.00 1.00 H new ATOM 0 HD3 PRO A 49 -5.030 -12.184 -2.036 1.00 1.00 H new ATOM 659 N LYS A 50 -8.381 -8.788 -1.584 1.00 1.00 N ATOM 660 CA LYS A 50 -9.393 -7.731 -1.961 1.00 1.00 C ATOM 661 C LYS A 50 -10.001 -7.073 -0.718 1.00 1.00 C ATOM 662 O LYS A 50 -11.173 -6.688 -0.725 1.00 1.00 O ATOM 663 CB LYS A 50 -10.577 -8.410 -2.845 1.00 1.00 C ATOM 664 CG LYS A 50 -10.362 -8.107 -4.446 1.00 1.00 C ATOM 665 CD LYS A 50 -11.063 -6.717 -4.856 1.00 1.00 C ATOM 666 CE LYS A 50 -10.521 -5.536 -3.972 1.00 1.00 C ATOM 667 NZ LYS A 50 -9.053 -5.381 -4.191 1.00 1.00 N ATOM 0 H LYS A 50 -7.418 -8.485 -1.729 1.00 1.00 H new ATOM 0 HA LYS A 50 -8.883 -6.961 -2.540 1.00 1.00 H new ATOM 0 HB2 LYS A 50 -10.593 -9.486 -2.674 1.00 1.00 H new ATOM 0 HB3 LYS A 50 -11.544 -8.022 -2.524 1.00 1.00 H new ATOM 0 HG2 LYS A 50 -9.297 -8.065 -4.674 1.00 1.00 H new ATOM 0 HG3 LYS A 50 -10.783 -8.921 -5.036 1.00 1.00 H new ATOM 0 HD2 LYS A 50 -10.874 -6.506 -5.908 1.00 1.00 H new ATOM 0 HD3 LYS A 50 -12.143 -6.800 -4.737 1.00 1.00 H new ATOM 0 HE2 LYS A 50 -11.037 -4.610 -4.227 1.00 1.00 H new ATOM 0 HE3 LYS A 50 -10.723 -5.734 -2.919 1.00 1.00 H new ATOM 0 HZ1 LYS A 50 -8.612 -4.998 -3.331 1.00 1.00 H new ATOM 0 HZ2 LYS A 50 -8.635 -6.308 -4.411 1.00 1.00 H new ATOM 0 HZ3 LYS A 50 -8.887 -4.730 -4.985 1.00 1.00 H new ATOM 681 N GLY A 51 -9.236 -7.000 0.396 1.00 1.00 N ATOM 682 CA GLY A 51 -9.698 -6.525 1.517 1.00 1.00 C ATOM 683 C GLY A 51 -8.868 -7.079 2.523 1.00 1.00 C ATOM 684 O GLY A 51 -8.196 -6.419 3.084 1.00 1.00 O ATOM 0 H GLY A 51 -8.264 -7.305 0.438 1.00 1.00 H new ATOM 0 HA2 GLY A 51 -9.659 -5.436 1.529 1.00 1.00 H new ATOM 0 HA3 GLY A 51 -10.740 -6.808 1.665 1.00 1.00 H new ATOM 688 N PRO A 52 -8.885 -8.386 2.722 1.00 1.00 N ATOM 689 CA PRO A 52 -7.977 -9.084 3.724 1.00 1.00 C ATOM 690 C PRO A 52 -6.514 -8.495 3.753 1.00 1.00 C ATOM 691 O PRO A 52 -5.616 -9.135 4.105 1.00 1.00 O ATOM 692 CB PRO A 52 -7.963 -10.507 3.225 1.00 1.00 C ATOM 693 CG PRO A 52 -9.323 -10.713 2.619 1.00 1.00 C ATOM 694 CD PRO A 52 -9.763 -9.328 2.059 1.00 1.00 C ATOM 0 HA PRO A 52 -8.335 -8.967 4.747 1.00 1.00 H new ATOM 0 HB2 PRO A 52 -7.174 -10.661 2.489 1.00 1.00 H new ATOM 0 HB3 PRO A 52 -7.781 -11.210 4.038 1.00 1.00 H new ATOM 0 HG2 PRO A 52 -9.287 -11.460 1.826 1.00 1.00 H new ATOM 0 HG3 PRO A 52 -10.031 -11.074 3.365 1.00 1.00 H new ATOM 0 HD2 PRO A 52 -9.652 -9.282 0.976 1.00 1.00 H new ATOM 0 HD3 PRO A 52 -10.810 -9.122 2.281 1.00 1.00 H new ATOM 702 N THR A 53 -6.400 -7.278 3.412 1.00 1.00 N ATOM 703 CA THR A 53 -5.176 -6.535 3.430 1.00 1.00 C ATOM 704 C THR A 53 -5.646 -5.120 3.644 1.00 1.00 C ATOM 705 O THR A 53 -6.803 -4.887 3.511 1.00 1.00 O ATOM 706 CB THR A 53 -4.356 -6.665 2.181 1.00 1.00 C ATOM 707 OG1 THR A 53 -4.224 -5.487 1.646 1.00 1.00 O ATOM 708 CG2 THR A 53 -5.001 -7.598 1.194 1.00 1.00 C ATOM 0 H THR A 53 -7.195 -6.725 3.091 1.00 1.00 H new ATOM 0 HA THR A 53 -4.497 -6.901 4.200 1.00 1.00 H new ATOM 0 HB THR A 53 -3.382 -7.079 2.443 1.00 1.00 H new ATOM 0 HG1 THR A 53 -4.416 -5.540 0.687 1.00 1.00 H new ATOM 0 HG21 THR A 53 -4.380 -7.669 0.301 1.00 1.00 H new ATOM 0 HG22 THR A 53 -5.106 -8.586 1.642 1.00 1.00 H new ATOM 0 HG23 THR A 53 -5.985 -7.217 0.922 1.00 1.00 H new ATOM 716 N TYR A 54 -4.874 -4.234 3.978 1.00 1.00 N ATOM 717 CA TYR A 54 -5.451 -2.836 4.278 1.00 1.00 C ATOM 718 C TYR A 54 -4.470 -1.941 5.062 1.00 1.00 C ATOM 719 O TYR A 54 -3.955 -2.367 6.091 1.00 1.00 O ATOM 720 CB TYR A 54 -6.744 -3.052 5.205 1.00 1.00 C ATOM 721 CG TYR A 54 -6.840 -2.015 6.401 1.00 1.00 C ATOM 722 CD1 TYR A 54 -6.103 -2.228 7.583 1.00 1.00 C ATOM 723 CD2 TYR A 54 -7.669 -0.883 6.298 1.00 1.00 C ATOM 724 CE1 TYR A 54 -6.196 -1.315 8.641 1.00 1.00 C ATOM 725 CE2 TYR A 54 -7.755 0.025 7.360 1.00 1.00 C ATOM 726 CZ TYR A 54 -7.021 -0.190 8.528 1.00 1.00 C ATOM 727 OH TYR A 54 -7.111 0.708 9.572 1.00 1.00 O ATOM 0 H TYR A 54 -3.864 -4.332 4.080 1.00 1.00 H new ATOM 0 HA TYR A 54 -5.669 -2.345 3.329 1.00 1.00 H new ATOM 0 HB2 TYR A 54 -7.641 -2.971 4.590 1.00 1.00 H new ATOM 0 HB3 TYR A 54 -6.726 -4.063 5.611 1.00 1.00 H new ATOM 0 HD1 TYR A 54 -5.466 -3.096 7.673 1.00 1.00 H new ATOM 0 HD2 TYR A 54 -8.241 -0.714 5.397 1.00 1.00 H new ATOM 0 HE1 TYR A 54 -5.630 -1.479 9.546 1.00 1.00 H new ATOM 0 HE2 TYR A 54 -8.391 0.894 7.276 1.00 1.00 H new ATOM 0 HH TYR A 54 -7.726 1.432 9.329 1.00 1.00 H new ATOM 737 N CYS A 55 -4.212 -0.575 4.567 1.00 1.00 N ATOM 738 CA CYS A 55 -3.268 0.337 5.393 1.00 1.00 C ATOM 739 C CYS A 55 -3.751 1.781 5.748 1.00 1.00 C ATOM 740 O CYS A 55 -3.475 2.315 6.822 1.00 1.00 O ATOM 741 CB CYS A 55 -1.925 0.453 4.721 1.00 1.00 C ATOM 742 SG CYS A 55 -0.641 0.548 6.077 1.00 1.00 S ATOM 0 H CYS A 55 -4.602 -0.165 3.718 1.00 1.00 H new ATOM 0 HA CYS A 55 -3.235 -0.187 6.348 1.00 1.00 H new ATOM 0 HB2 CYS A 55 -1.741 -0.406 4.076 1.00 1.00 H new ATOM 0 HB3 CYS A 55 -1.885 1.341 4.089 1.00 1.00 H new ATOM 747 N TRP A 56 -4.441 2.363 4.783 1.00 1.00 N ATOM 748 CA TRP A 56 -4.953 3.649 4.832 1.00 1.00 C ATOM 749 C TRP A 56 -6.492 3.644 4.935 1.00 1.00 C ATOM 750 O TRP A 56 -7.052 2.977 5.805 1.00 1.00 O ATOM 751 CB TRP A 56 -4.578 4.315 3.504 1.00 1.00 C ATOM 752 CG TRP A 56 -4.879 5.779 3.565 1.00 1.00 C ATOM 753 CD1 TRP A 56 -5.237 6.451 2.531 1.00 1.00 C ATOM 754 CD2 TRP A 56 -4.855 6.759 4.724 1.00 1.00 C ATOM 755 NE1 TRP A 56 -5.415 7.712 2.857 1.00 1.00 N ATOM 756 CE2 TRP A 56 -5.202 7.960 4.224 1.00 1.00 C ATOM 757 CE3 TRP A 56 -4.555 6.692 6.151 1.00 1.00 C ATOM 758 CZ2 TRP A 56 -5.280 9.118 5.027 1.00 1.00 C ATOM 759 CZ3 TRP A 56 -4.635 7.839 6.941 1.00 1.00 C ATOM 760 CH2 TRP A 56 -4.999 9.045 6.379 1.00 1.00 C ATOM 0 H TRP A 56 -4.651 1.889 3.905 1.00 1.00 H new ATOM 0 HA TRP A 56 -4.553 4.168 5.703 1.00 1.00 H new ATOM 0 HB2 TRP A 56 -3.519 4.161 3.296 1.00 1.00 H new ATOM 0 HB3 TRP A 56 -5.133 3.855 2.687 1.00 1.00 H new ATOM 0 HD1 TRP A 56 -5.372 6.041 1.541 1.00 1.00 H new ATOM 0 HE1 TRP A 56 -5.680 8.435 2.188 1.00 1.00 H new ATOM 0 HE3 TRP A 56 -4.270 5.751 6.597 1.00 1.00 H new ATOM 0 HZ2 TRP A 56 -5.560 10.063 4.585 1.00 1.00 H new ATOM 0 HZ3 TRP A 56 -4.411 7.783 7.996 1.00 1.00 H new ATOM 0 HH2 TRP A 56 -5.064 9.931 6.994 1.00 1.00 H new ATOM 771 N ASP A 57 -7.223 4.356 3.880 1.00 1.00 N ATOM 772 CA ASP A 57 -8.609 4.342 3.770 1.00 1.00 C ATOM 773 C ASP A 57 -9.123 5.578 2.990 1.00 1.00 C ATOM 774 O ASP A 57 -10.321 5.830 3.015 1.00 1.00 O ATOM 775 CB ASP A 57 -9.252 4.303 5.123 1.00 1.00 C ATOM 776 CG ASP A 57 -9.654 2.871 5.514 1.00 1.00 C ATOM 777 OD1 ASP A 57 -9.096 1.945 4.948 1.00 1.00 O ATOM 778 OD2 ASP A 57 -10.512 2.732 6.370 1.00 1.00 O ATOM 0 H ASP A 57 -6.761 4.908 3.158 1.00 1.00 H new ATOM 0 HA ASP A 57 -8.881 3.442 3.219 1.00 1.00 H new ATOM 0 HB2 ASP A 57 -8.563 4.705 5.866 1.00 1.00 H new ATOM 0 HB3 ASP A 57 -10.134 4.944 5.127 1.00 1.00 H new ATOM 783 N GLU A 58 -8.230 6.375 2.333 1.00 1.00 N ATOM 784 CA GLU A 58 -8.694 7.526 1.697 1.00 1.00 C ATOM 785 C GLU A 58 -7.622 8.300 1.147 1.00 1.00 C ATOM 786 O GLU A 58 -7.323 9.312 1.717 1.00 1.00 O ATOM 787 CB GLU A 58 -9.346 8.413 2.831 1.00 1.00 C ATOM 788 CG GLU A 58 -8.330 8.484 3.984 1.00 1.00 C ATOM 789 CD GLU A 58 -8.947 9.171 5.200 1.00 1.00 C ATOM 790 OE1 GLU A 58 -9.205 10.361 5.116 1.00 1.00 O ATOM 791 OE2 GLU A 58 -9.150 8.497 6.196 1.00 1.00 O ATOM 0 H GLU A 58 -7.227 6.203 2.261 1.00 1.00 H new ATOM 0 HA GLU A 58 -9.375 7.245 0.893 1.00 1.00 H new ATOM 0 HB2 GLU A 58 -9.575 9.411 2.457 1.00 1.00 H new ATOM 0 HB3 GLU A 58 -10.285 7.976 3.171 1.00 1.00 H new ATOM 0 HG2 GLU A 58 -8.006 7.479 4.253 1.00 1.00 H new ATOM 0 HG3 GLU A 58 -7.443 9.030 3.662 1.00 1.00 H new ATOM 798 N ALA A 59 -6.966 7.994 0.009 1.00 1.00 N ATOM 799 CA ALA A 59 -5.946 8.970 -0.448 1.00 1.00 C ATOM 800 C ALA A 59 -6.118 9.208 -2.018 1.00 1.00 C ATOM 801 O ALA A 59 -5.193 9.549 -2.657 1.00 1.00 O ATOM 802 CB ALA A 59 -4.702 8.376 -0.252 1.00 1.00 C ATOM 0 H ALA A 59 -7.100 7.163 -0.567 1.00 1.00 H new ATOM 0 HA ALA A 59 -6.045 9.913 0.090 1.00 1.00 H new ATOM 0 HB1 ALA A 59 -3.917 9.060 -0.575 1.00 1.00 H new ATOM 0 HB2 ALA A 59 -4.571 8.147 0.806 1.00 1.00 H new ATOM 0 HB3 ALA A 59 -4.643 7.455 -0.833 1.00 1.00 H new ATOM 808 N LYS A 60 -7.312 8.740 -2.631 1.00 1.00 N ATOM 809 CA LYS A 60 -7.404 8.671 -3.998 1.00 1.00 C ATOM 810 C LYS A 60 -7.312 9.917 -4.656 1.00 1.00 C ATOM 811 O LYS A 60 -6.652 10.104 -5.631 1.00 1.00 O ATOM 812 CB LYS A 60 -8.807 7.996 -4.393 1.00 1.00 C ATOM 813 CG LYS A 60 -9.141 6.935 -3.325 1.00 1.00 C ATOM 814 CD LYS A 60 -10.241 5.925 -3.830 1.00 1.00 C ATOM 815 CE LYS A 60 -11.658 6.544 -3.618 1.00 1.00 C ATOM 816 NZ LYS A 60 -12.044 6.418 -2.181 1.00 1.00 N ATOM 0 H LYS A 60 -8.144 8.437 -2.125 1.00 1.00 H new ATOM 0 HA LYS A 60 -6.549 8.080 -4.326 1.00 1.00 H new ATOM 0 HB2 LYS A 60 -9.593 8.750 -4.440 1.00 1.00 H new ATOM 0 HB3 LYS A 60 -8.745 7.537 -5.380 1.00 1.00 H new ATOM 0 HG2 LYS A 60 -8.237 6.386 -3.062 1.00 1.00 H new ATOM 0 HG3 LYS A 60 -9.489 7.429 -2.418 1.00 1.00 H new ATOM 0 HD2 LYS A 60 -10.086 5.700 -4.885 1.00 1.00 H new ATOM 0 HD3 LYS A 60 -10.160 4.983 -3.288 1.00 1.00 H new ATOM 0 HE2 LYS A 60 -11.657 7.593 -3.915 1.00 1.00 H new ATOM 0 HE3 LYS A 60 -12.387 6.035 -4.248 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 -13.042 6.688 -2.065 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 -11.913 5.434 -1.871 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 -11.446 7.044 -1.605 1.00 1.00 H new ATOM 872 N PRO A 65 -7.804 13.768 -0.108 1.00 1.00 N ATOM 873 CA PRO A 65 -7.456 12.699 0.781 1.00 1.00 C ATOM 874 C PRO A 65 -5.986 12.575 0.873 1.00 1.00 C ATOM 875 O PRO A 65 -5.285 13.406 0.391 1.00 1.00 O ATOM 876 CB PRO A 65 -8.160 11.433 0.167 1.00 1.00 C ATOM 877 CG PRO A 65 -9.203 12.016 -0.609 1.00 1.00 C ATOM 878 CD PRO A 65 -8.558 13.286 -1.177 1.00 1.00 C ATOM 0 HA PRO A 65 -7.786 12.854 1.808 1.00 1.00 H new ATOM 0 HB2 PRO A 65 -7.477 10.844 -0.445 1.00 1.00 H new ATOM 0 HB3 PRO A 65 -8.549 10.769 0.939 1.00 1.00 H new ATOM 0 HG2 PRO A 65 -9.536 11.346 -1.402 1.00 1.00 H new ATOM 0 HG3 PRO A 65 -10.076 12.247 0.001 1.00 1.00 H new ATOM 0 HD2 PRO A 65 -7.934 13.067 -2.043 1.00 1.00 H new ATOM 0 HD3 PRO A 65 -9.308 14.009 -1.499 1.00 1.00 H new ATOM 886 N ASN A 66 -5.533 11.651 1.584 1.00 1.00 N ATOM 887 CA ASN A 66 -4.010 11.560 1.823 1.00 1.00 C ATOM 888 C ASN A 66 -3.253 11.801 0.523 1.00 1.00 C ATOM 889 O ASN A 66 -2.074 12.138 0.518 1.00 1.00 O ATOM 890 CB ASN A 66 -3.577 10.183 2.423 1.00 1.00 C ATOM 891 CG ASN A 66 -2.740 10.365 3.719 1.00 1.00 C ATOM 892 OD1 ASN A 66 -2.026 11.446 3.882 1.00 1.00 O flip ATOM 893 ND2 ASN A 66 -2.738 9.494 4.583 1.00 1.00 N flip ATOM 0 H ASN A 66 -6.093 10.928 2.036 1.00 1.00 H new ATOM 0 HA ASN A 66 -3.763 12.333 2.550 1.00 1.00 H new ATOM 0 HB2 ASN A 66 -4.462 9.585 2.641 1.00 1.00 H new ATOM 0 HB3 ASN A 66 -2.993 9.631 1.686 1.00 1.00 H new ATOM 0 HD21 ASN A 66 -3.295 8.649 4.457 1.00 1.00 H new ATOM 0 HD22 ASN A 66 -2.179 9.615 5.428 1.00 1.00 H new ATOM 900 N ARG A 67 -4.011 11.611 -0.557 1.00 1.00 N ATOM 901 CA ARG A 67 -3.571 11.785 -1.957 1.00 1.00 C ATOM 902 C ARG A 67 -2.708 10.659 -2.453 1.00 1.00 C ATOM 903 O ARG A 67 -1.642 10.422 -1.963 1.00 1.00 O ATOM 904 CB ARG A 67 -2.831 13.122 -2.133 1.00 1.00 C ATOM 905 CG ARG A 67 -3.831 14.247 -2.193 1.00 1.00 C ATOM 906 CD ARG A 67 -4.229 14.481 -3.622 1.00 1.00 C ATOM 907 NE ARG A 67 -3.166 15.227 -4.383 1.00 1.00 N ATOM 908 CZ ARG A 67 -2.679 16.448 -3.995 1.00 1.00 C ATOM 909 NH1 ARG A 67 -3.168 17.080 -2.964 1.00 1.00 N ATOM 910 NH2 ARG A 67 -1.720 17.001 -4.686 1.00 1.00 N ATOM 0 H ARG A 67 -4.986 11.321 -0.487 1.00 1.00 H new ATOM 0 HA ARG A 67 -4.479 11.782 -2.560 1.00 1.00 H new ATOM 0 HB2 ARG A 67 -2.140 13.279 -1.304 1.00 1.00 H new ATOM 0 HB3 ARG A 67 -2.235 13.102 -3.045 1.00 1.00 H new ATOM 0 HG2 ARG A 67 -4.708 14.001 -1.595 1.00 1.00 H new ATOM 0 HG3 ARG A 67 -3.400 15.155 -1.770 1.00 1.00 H new ATOM 0 HD2 ARG A 67 -4.420 13.524 -4.108 1.00 1.00 H new ATOM 0 HD3 ARG A 67 -5.161 15.045 -3.652 1.00 1.00 H new ATOM 0 HE ARG A 67 -2.789 14.802 -5.230 1.00 1.00 H new ATOM 0 HH11 ARG A 67 -3.930 16.666 -2.427 1.00 1.00 H new ATOM 0 HH12 ARG A 67 -2.788 17.988 -2.695 1.00 1.00 H new ATOM 0 HH21 ARG A 67 -1.341 16.525 -5.505 1.00 1.00 H new ATOM 0 HH22 ARG A 67 -1.349 17.909 -4.407 1.00 1.00 H new ATOM 924 N CYS A 68 -3.170 10.083 -3.511 1.00 1.00 N ATOM 925 CA CYS A 68 -2.501 9.080 -4.228 1.00 1.00 C ATOM 926 C CYS A 68 -3.095 9.119 -5.479 1.00 1.00 C ATOM 927 O CYS A 68 -2.674 9.897 -6.333 1.00 1.00 O ATOM 928 CB CYS A 68 -2.553 7.653 -3.504 1.00 1.00 C ATOM 929 SG CYS A 68 -4.202 7.067 -3.099 1.00 1.00 S ATOM 0 H CYS A 68 -4.077 10.322 -3.912 1.00 1.00 H new ATOM 0 HA CYS A 68 -1.427 9.250 -4.297 1.00 1.00 H new ATOM 0 HB2 CYS A 68 -2.070 6.918 -4.148 1.00 1.00 H new ATOM 0 HB3 CYS A 68 -1.967 7.706 -2.586 1.00 1.00 H new ATOM 934 N SER A 69 -4.049 8.359 -5.652 1.00 1.00 N ATOM 935 CA SER A 69 -4.786 8.317 -6.863 1.00 1.00 C ATOM 936 C SER A 69 -4.200 7.383 -7.854 1.00 1.00 C ATOM 937 O SER A 69 -4.911 6.816 -8.681 1.00 1.00 O ATOM 938 CB SER A 69 -4.895 9.748 -7.550 1.00 1.00 C ATOM 939 OG SER A 69 -3.854 9.884 -8.519 1.00 1.00 O ATOM 0 H SER A 69 -4.381 7.705 -4.943 1.00 1.00 H new ATOM 0 HA SER A 69 -5.777 7.967 -6.575 1.00 1.00 H new ATOM 0 HB2 SER A 69 -5.869 9.863 -8.026 1.00 1.00 H new ATOM 0 HB3 SER A 69 -4.813 10.533 -6.798 1.00 1.00 H new ATOM 0 HG SER A 69 -2.983 9.833 -8.073 1.00 1.00 H new ATOM 945 N ASN A 70 -2.864 7.309 -7.869 1.00 1.00 N ATOM 946 CA ASN A 70 -2.156 6.525 -8.909 1.00 1.00 C ATOM 947 C ASN A 70 -1.565 5.354 -8.407 1.00 1.00 C ATOM 948 O ASN A 70 -1.627 4.319 -9.045 1.00 1.00 O ATOM 949 CB ASN A 70 -1.065 7.391 -9.530 1.00 1.00 C ATOM 950 CG ASN A 70 -1.675 8.661 -10.109 1.00 1.00 C ATOM 951 OD1 ASN A 70 -1.460 9.752 -9.578 1.00 1.00 O ATOM 952 ND2 ASN A 70 -2.425 8.587 -11.175 1.00 1.00 N ATOM 0 H ASN A 70 -2.255 7.769 -7.192 1.00 1.00 H new ATOM 0 HA ASN A 70 -2.901 6.227 -9.647 1.00 1.00 H new ATOM 0 HB2 ASN A 70 -0.319 7.646 -8.777 1.00 1.00 H new ATOM 0 HB3 ASN A 70 -0.550 6.835 -10.313 1.00 1.00 H new ATOM 0 HD21 ASN A 70 -2.835 9.433 -11.570 1.00 1.00 H new ATOM 0 HD22 ASN A 70 -2.601 7.683 -11.613 1.00 1.00 H new ATOM 959 N SER A 71 -1.002 5.454 -7.243 1.00 1.00 N ATOM 960 CA SER A 71 -0.366 4.263 -6.586 1.00 1.00 C ATOM 961 C SER A 71 0.688 4.605 -5.377 1.00 1.00 C ATOM 962 O SER A 71 1.755 4.009 -5.321 1.00 1.00 O ATOM 963 CB SER A 71 0.350 3.422 -7.675 1.00 1.00 C ATOM 964 OG SER A 71 1.451 2.714 -7.125 1.00 1.00 O ATOM 0 H SER A 71 -0.949 6.318 -6.703 1.00 1.00 H new ATOM 0 HA SER A 71 -1.177 3.715 -6.106 1.00 1.00 H new ATOM 0 HB2 SER A 71 -0.355 2.719 -8.119 1.00 1.00 H new ATOM 0 HB3 SER A 71 0.696 4.075 -8.476 1.00 1.00 H new ATOM 0 HG SER A 71 1.312 2.589 -6.163 1.00 1.00 H new ATOM 970 N LYS A 72 0.442 5.684 -4.533 1.00 1.00 N ATOM 971 CA LYS A 72 1.515 6.114 -3.552 1.00 1.00 C ATOM 972 C LYS A 72 1.098 6.583 -2.279 1.00 1.00 C ATOM 973 O LYS A 72 1.705 7.473 -1.718 1.00 1.00 O ATOM 974 CB LYS A 72 2.217 7.424 -4.266 1.00 1.00 C ATOM 975 CG LYS A 72 1.197 8.560 -4.511 1.00 1.00 C ATOM 976 CD LYS A 72 1.896 9.945 -4.347 1.00 1.00 C ATOM 977 CE LYS A 72 0.930 11.074 -4.754 1.00 1.00 C ATOM 978 NZ LYS A 72 1.630 12.392 -4.643 1.00 1.00 N ATOM 0 H LYS A 72 -0.419 6.230 -4.512 1.00 1.00 H new ATOM 0 HA LYS A 72 2.121 5.229 -3.359 1.00 1.00 H new ATOM 0 HB2 LYS A 72 3.026 7.792 -3.635 1.00 1.00 H new ATOM 0 HB3 LYS A 72 2.663 7.125 -5.215 1.00 1.00 H new ATOM 0 HG2 LYS A 72 0.775 8.472 -5.512 1.00 1.00 H new ATOM 0 HG3 LYS A 72 0.369 8.475 -3.807 1.00 1.00 H new ATOM 0 HD2 LYS A 72 2.213 10.081 -3.313 1.00 1.00 H new ATOM 0 HD3 LYS A 72 2.794 9.984 -4.963 1.00 1.00 H new ATOM 0 HE2 LYS A 72 0.582 10.919 -5.775 1.00 1.00 H new ATOM 0 HE3 LYS A 72 0.049 11.063 -4.112 1.00 1.00 H new ATOM 0 HZ1 LYS A 72 0.979 13.155 -4.918 1.00 1.00 H new ATOM 0 HZ2 LYS A 72 1.941 12.538 -3.661 1.00 1.00 H new ATOM 0 HZ3 LYS A 72 2.458 12.400 -5.273 1.00 1.00 H new ATOM 992 N GLN A 73 0.128 6.151 -1.893 1.00 1.00 N ATOM 993 CA GLN A 73 -0.497 6.638 -0.648 1.00 1.00 C ATOM 994 C GLN A 73 -1.913 6.174 -0.614 1.00 1.00 C ATOM 995 O GLN A 73 -2.707 6.880 -0.266 1.00 1.00 O ATOM 996 CB GLN A 73 -0.549 8.325 -0.678 1.00 1.00 C ATOM 997 CG GLN A 73 0.335 8.956 0.392 1.00 1.00 C ATOM 998 CD GLN A 73 -0.217 8.649 1.795 1.00 1.00 C ATOM 999 OE1 GLN A 73 -0.870 7.628 1.999 1.00 1.00 O ATOM 1000 NE2 GLN A 73 0.007 9.489 2.774 1.00 1.00 N ATOM 0 H GLN A 73 -0.388 5.405 -2.359 1.00 1.00 H new ATOM 0 HA GLN A 73 0.071 6.273 0.207 1.00 1.00 H new ATOM 0 HB2 GLN A 73 -0.233 8.678 -1.660 1.00 1.00 H new ATOM 0 HB3 GLN A 73 -1.578 8.656 -0.536 1.00 1.00 H new ATOM 0 HG2 GLN A 73 1.352 8.575 0.303 1.00 1.00 H new ATOM 0 HG3 GLN A 73 0.385 10.034 0.242 1.00 1.00 H new ATOM 0 HE21 GLN A 73 0.549 10.336 2.605 1.00 1.00 H new ATOM 0 HE22 GLN A 73 -0.360 9.296 3.706 1.00 1.00 H new ATOM 1009 N CYS A 74 -2.187 4.965 -0.908 1.00 1.00 N ATOM 1010 CA CYS A 74 -3.682 4.469 -0.814 1.00 1.00 C ATOM 1011 C CYS A 74 -3.717 3.526 0.314 1.00 1.00 C ATOM 1012 O CYS A 74 -3.013 3.802 1.247 1.00 1.00 O ATOM 1013 CB CYS A 74 -4.079 3.883 -2.200 1.00 1.00 C ATOM 1014 SG CYS A 74 -4.074 5.163 -3.674 1.00 1.00 S ATOM 0 H CYS A 74 -1.509 4.265 -1.208 1.00 1.00 H new ATOM 0 HA CYS A 74 -4.420 5.245 -0.612 1.00 1.00 H new ATOM 0 HB2 CYS A 74 -3.394 3.070 -2.443 1.00 1.00 H new ATOM 0 HB3 CYS A 74 -5.075 3.448 -2.121 1.00 1.00 H new ATOM 1019 N ASP A 75 -4.585 2.366 0.360 1.00 1.00 N ATOM 1020 CA ASP A 75 -4.569 1.516 1.714 1.00 1.00 C ATOM 1021 C ASP A 75 -3.862 0.190 1.647 1.00 1.00 C ATOM 1022 O ASP A 75 -2.644 0.142 1.821 1.00 1.00 O ATOM 1023 CB ASP A 75 -6.081 1.498 2.258 1.00 1.00 C ATOM 1024 CG ASP A 75 -6.242 0.641 3.385 1.00 1.00 C ATOM 1025 OD1 ASP A 75 -6.136 -0.436 3.207 1.00 1.00 O ATOM 1026 OD2 ASP A 75 -6.490 1.123 4.457 1.00 1.00 O ATOM 0 H ASP A 75 -5.203 2.039 -0.383 1.00 1.00 H new ATOM 0 HA ASP A 75 -3.927 1.998 2.452 1.00 1.00 H new ATOM 0 HB2 ASP A 75 -6.379 2.511 2.530 1.00 1.00 H new ATOM 0 HB3 ASP A 75 -6.748 1.173 1.459 1.00 1.00 H new ATOM 1031 N GLY A 76 -4.563 -0.871 1.458 1.00 1.00 N ATOM 1032 CA GLY A 76 -3.889 -2.203 1.453 1.00 1.00 C ATOM 1033 C GLY A 76 -4.520 -3.274 0.589 1.00 1.00 C ATOM 1034 O GLY A 76 -3.826 -4.152 0.161 1.00 1.00 O ATOM 0 H GLY A 76 -5.571 -0.889 1.306 1.00 1.00 H new ATOM 0 HA2 GLY A 76 -2.859 -2.063 1.126 1.00 1.00 H new ATOM 0 HA3 GLY A 76 -3.851 -2.570 2.479 1.00 1.00 H new ATOM 1038 N ALA A 77 -5.778 -3.183 0.291 1.00 1.00 N ATOM 1039 CA ALA A 77 -6.434 -4.183 -0.561 1.00 1.00 C ATOM 1040 C ALA A 77 -7.083 -3.508 -1.748 1.00 1.00 C ATOM 1041 O ALA A 77 -8.191 -3.868 -2.154 1.00 1.00 O ATOM 1042 CB ALA A 77 -7.532 -4.834 0.228 1.00 1.00 C ATOM 0 H ALA A 77 -6.390 -2.434 0.615 1.00 1.00 H new ATOM 0 HA ALA A 77 -5.690 -4.906 -0.895 1.00 1.00 H new ATOM 0 HB1 ALA A 77 -8.031 -5.581 -0.390 1.00 1.00 H new ATOM 0 HB2 ALA A 77 -7.110 -5.316 1.110 1.00 1.00 H new ATOM 0 HB3 ALA A 77 -8.254 -4.079 0.538 1.00 1.00 H new ATOM 1048 N ARG A 78 -6.460 -2.473 -2.210 1.00 1.00 N ATOM 1049 CA ARG A 78 -6.990 -1.645 -3.232 1.00 1.00 C ATOM 1050 C ARG A 78 -6.172 -1.701 -4.411 1.00 1.00 C ATOM 1051 O ARG A 78 -5.106 -2.232 -4.370 1.00 1.00 O ATOM 1052 CB ARG A 78 -7.035 -0.301 -2.696 1.00 1.00 C ATOM 1053 CG ARG A 78 -7.986 -0.300 -1.457 1.00 1.00 C ATOM 1054 CD ARG A 78 -8.315 1.074 -1.123 1.00 1.00 C ATOM 1055 NE ARG A 78 -9.130 1.682 -2.194 1.00 1.00 N ATOM 1056 CZ ARG A 78 -10.472 1.743 -2.119 1.00 1.00 C ATOM 1057 NH1 ARG A 78 -11.101 1.272 -1.071 1.00 1.00 N ATOM 1058 NH2 ARG A 78 -11.151 2.273 -3.094 1.00 1.00 N ATOM 0 H ARG A 78 -5.544 -2.176 -1.875 1.00 1.00 H new ATOM 0 HA ARG A 78 -7.985 -1.978 -3.526 1.00 1.00 H new ATOM 0 HB2 ARG A 78 -6.036 0.027 -2.408 1.00 1.00 H new ATOM 0 HB3 ARG A 78 -7.395 0.397 -3.452 1.00 1.00 H new ATOM 0 HG2 ARG A 78 -8.893 -0.863 -1.677 1.00 1.00 H new ATOM 0 HG3 ARG A 78 -7.504 -0.790 -0.611 1.00 1.00 H new ATOM 0 HD2 ARG A 78 -8.860 1.105 -0.180 1.00 1.00 H new ATOM 0 HD3 ARG A 78 -7.400 1.650 -0.982 1.00 1.00 H new ATOM 0 HE ARG A 78 -8.662 2.067 -3.014 1.00 1.00 H new ATOM 0 HH11 ARG A 78 -10.573 0.855 -0.304 1.00 1.00 H new ATOM 0 HH12 ARG A 78 -12.119 1.322 -1.022 1.00 1.00 H new ATOM 0 HH21 ARG A 78 -10.666 2.641 -3.912 1.00 1.00 H new ATOM 0 HH22 ARG A 78 -12.168 2.321 -3.040 1.00 1.00 H new ATOM 1072 N THR A 79 -6.641 -1.132 -5.546 1.00 1.00 N ATOM 1073 CA THR A 79 -5.877 -1.179 -6.679 1.00 1.00 C ATOM 1074 C THR A 79 -6.086 -0.040 -7.494 1.00 1.00 C ATOM 1075 O THR A 79 -6.653 -0.142 -8.494 1.00 1.00 O ATOM 1076 CB THR A 79 -6.091 -2.470 -7.412 1.00 1.00 C ATOM 1077 OG1 THR A 79 -6.272 -3.524 -6.476 1.00 1.00 O ATOM 1078 CG2 THR A 79 -4.850 -2.737 -8.249 1.00 1.00 C ATOM 0 H THR A 79 -7.539 -0.657 -5.639 1.00 1.00 H new ATOM 0 HA THR A 79 -4.827 -1.152 -6.388 1.00 1.00 H new ATOM 0 HB THR A 79 -6.975 -2.410 -8.047 1.00 1.00 H new ATOM 0 HG1 THR A 79 -6.413 -4.367 -6.956 1.00 1.00 H new ATOM 0 HG21 THR A 79 -4.974 -3.672 -8.796 1.00 1.00 H new ATOM 0 HG22 THR A 79 -4.705 -1.920 -8.955 1.00 1.00 H new ATOM 0 HG23 THR A 79 -3.980 -2.811 -7.596 1.00 1.00 H new ATOM 1086 N CYS A 80 -5.457 1.124 -7.013 1.00 1.00 N ATOM 1087 CA CYS A 80 -5.414 2.394 -7.716 1.00 1.00 C ATOM 1088 C CYS A 80 -5.982 2.444 -9.017 1.00 1.00 C ATOM 1089 O CYS A 80 -5.441 3.076 -9.930 1.00 1.00 O ATOM 1090 CB CYS A 80 -3.945 2.889 -7.751 1.00 1.00 C ATOM 1091 SG CYS A 80 -3.808 4.527 -6.560 1.00 1.00 S ATOM 0 H CYS A 80 -4.977 1.152 -6.114 1.00 1.00 H new ATOM 0 HA CYS A 80 -6.068 3.051 -7.142 1.00 1.00 H new ATOM 0 HB2 CYS A 80 -3.271 2.107 -7.402 1.00 1.00 H new ATOM 0 HB3 CYS A 80 -3.649 3.134 -8.771 1.00 1.00 H new ATOM 1136 N PHE A 85 -3.241 0.595 -5.309 1.00 1.00 N ATOM 1137 CA PHE A 85 -3.297 1.525 -4.388 1.00 1.00 C ATOM 1138 C PHE A 85 -4.739 1.894 -4.313 1.00 1.00 C ATOM 1139 O PHE A 85 -5.342 1.490 -3.461 1.00 1.00 O ATOM 1140 CB PHE A 85 -2.325 2.584 -4.718 1.00 1.00 C ATOM 1141 CG PHE A 85 -0.887 2.201 -4.257 1.00 1.00 C ATOM 1142 CD1 PHE A 85 -0.450 2.487 -2.957 1.00 1.00 C ATOM 1143 CD2 PHE A 85 -0.024 1.584 -5.158 1.00 1.00 C ATOM 1144 CE1 PHE A 85 0.852 2.148 -2.564 1.00 1.00 C ATOM 1145 CE2 PHE A 85 1.275 1.245 -4.770 1.00 1.00 C ATOM 1146 CZ PHE A 85 1.712 1.526 -3.472 1.00 1.00 C ATOM 0 HA PHE A 85 -2.992 1.232 -3.383 1.00 1.00 H new ATOM 0 HB2 PHE A 85 -2.329 2.761 -5.794 1.00 1.00 H new ATOM 0 HB3 PHE A 85 -2.625 3.517 -4.241 1.00 1.00 H new ATOM 0 HD1 PHE A 85 -1.117 2.969 -2.257 1.00 1.00 H new ATOM 0 HD2 PHE A 85 -0.360 1.366 -6.161 1.00 1.00 H new ATOM 0 HE1 PHE A 85 1.189 2.367 -1.562 1.00 1.00 H new ATOM 0 HE2 PHE A 85 1.941 0.766 -5.472 1.00 1.00 H new ATOM 0 HZ PHE A 85 2.715 1.262 -3.171 1.00 1.00 H new ATOM 1156 N CYS A 86 -5.272 2.748 -5.159 1.00 1.00 N ATOM 1157 CA CYS A 86 -6.804 3.171 -4.976 1.00 1.00 C ATOM 1158 C CYS A 86 -7.872 2.843 -6.021 1.00 1.00 C ATOM 1159 O CYS A 86 -7.892 3.312 -7.160 1.00 1.00 O ATOM 1160 CB CYS A 86 -6.863 4.560 -4.733 1.00 1.00 C ATOM 1161 SG CYS A 86 -5.836 5.437 -6.208 1.00 1.00 S ATOM 0 H CYS A 86 -4.786 3.180 -5.945 1.00 1.00 H new ATOM 0 HA CYS A 86 -7.089 2.510 -4.158 1.00 1.00 H new ATOM 0 HB2 CYS A 86 -7.896 4.908 -4.719 1.00 1.00 H new ATOM 0 HB3 CYS A 86 -6.432 4.803 -3.762 1.00 1.00 H new ATOM 1166 N GLN A 87 -8.863 1.974 -5.491 1.00 1.00 N ATOM 1167 CA GLN A 87 -9.965 1.531 -6.225 1.00 1.00 C ATOM 1168 C GLN A 87 -10.649 0.299 -5.567 1.00 1.00 C ATOM 1169 O GLN A 87 -11.872 0.194 -5.553 1.00 1.00 O ATOM 1170 CB GLN A 87 -9.480 1.217 -7.622 1.00 1.00 C ATOM 1171 CG GLN A 87 -10.215 0.012 -8.234 1.00 1.00 C ATOM 1172 CD GLN A 87 -9.682 -1.306 -7.646 1.00 1.00 C ATOM 1173 OE1 GLN A 87 -8.643 -1.317 -7.002 1.00 1.00 O ATOM 1174 NE2 GLN A 87 -10.347 -2.412 -7.834 1.00 1.00 N ATOM 0 H GLN A 87 -8.836 1.615 -4.537 1.00 1.00 H new ATOM 0 HA GLN A 87 -10.728 2.308 -6.253 1.00 1.00 H new ATOM 0 HB2 GLN A 87 -9.623 2.090 -8.259 1.00 1.00 H new ATOM 0 HB3 GLN A 87 -8.410 1.013 -7.596 1.00 1.00 H new ATOM 0 HG2 GLN A 87 -11.285 0.096 -8.041 1.00 1.00 H new ATOM 0 HG3 GLN A 87 -10.085 0.012 -9.316 1.00 1.00 H new ATOM 0 HE21 GLN A 87 -11.214 -2.401 -8.372 1.00 1.00 H new ATOM 0 HE22 GLN A 87 -10.000 -3.288 -7.443 1.00 1.00 H new ATOM 1183 N GLY A 88 -9.859 -0.611 -5.097 1.00 1.00 N ATOM 1184 CA GLY A 88 -10.401 -1.843 -4.510 1.00 1.00 C ATOM 1185 C GLY A 88 -11.226 -1.602 -3.266 1.00 1.00 C ATOM 1186 O GLY A 88 -12.256 -0.934 -3.314 1.00 1.00 O ATOM 0 H GLY A 88 -8.841 -0.547 -5.097 1.00 1.00 H new ATOM 0 HA2 GLY A 88 -11.017 -2.351 -5.253 1.00 1.00 H new ATOM 0 HA3 GLY A 88 -9.577 -2.514 -4.267 1.00 1.00 H new ATOM 1190 N THR A 89 -10.825 -2.256 -2.159 1.00 1.00 N ATOM 1191 CA THR A 89 -11.603 -2.214 -0.917 1.00 1.00 C ATOM 1192 C THR A 89 -10.835 -1.853 0.359 1.00 1.00 C ATOM 1193 O THR A 89 -11.211 -0.924 1.065 1.00 1.00 O ATOM 1194 CB THR A 89 -12.240 -3.669 -0.776 1.00 1.00 C ATOM 1195 OG1 THR A 89 -13.534 -3.658 -1.363 1.00 1.00 O ATOM 1196 CG2 THR A 89 -12.365 -4.118 0.718 1.00 1.00 C ATOM 0 H THR A 89 -9.973 -2.814 -2.104 1.00 1.00 H new ATOM 0 HA THR A 89 -12.328 -1.405 -1.002 1.00 1.00 H new ATOM 0 HB THR A 89 -11.581 -4.375 -1.281 1.00 1.00 H new ATOM 0 HG1 THR A 89 -13.936 -4.548 -1.284 1.00 1.00 H new ATOM 0 HG21 THR A 89 -12.804 -5.115 0.763 1.00 1.00 H new ATOM 0 HG22 THR A 89 -11.376 -4.136 1.176 1.00 1.00 H new ATOM 0 HG23 THR A 89 -13.002 -3.416 1.257 1.00 1.00 H new ATOM 1204 N ALA A 90 -9.923 -2.671 0.704 1.00 1.00 N ATOM 1205 CA ALA A 90 -9.244 -2.576 1.962 1.00 1.00 C ATOM 1206 C ALA A 90 -10.077 -3.457 2.912 1.00 1.00 C ATOM 1207 O ALA A 90 -11.264 -3.248 3.135 1.00 1.00 O ATOM 1208 CB ALA A 90 -9.089 -1.179 2.511 1.00 1.00 C ATOM 0 H ALA A 90 -9.610 -3.446 0.120 1.00 1.00 H new ATOM 0 HA ALA A 90 -8.210 -2.902 1.846 1.00 1.00 H new ATOM 0 HB1 ALA A 90 -8.563 -1.219 3.465 1.00 1.00 H new ATOM 0 HB2 ALA A 90 -8.519 -0.573 1.807 1.00 1.00 H new ATOM 0 HB3 ALA A 90 -10.073 -0.735 2.658 1.00 1.00 H new ATOM 1214 N GLY A 91 -9.396 -4.374 3.450 1.00 1.00 N ATOM 1215 CA GLY A 91 -9.997 -5.417 4.515 1.00 1.00 C ATOM 1216 C GLY A 91 -8.848 -6.199 5.594 1.00 1.00 C ATOM 1217 O GLY A 91 -9.259 -6.746 6.609 1.00 1.00 O ATOM 0 H GLY A 91 -8.407 -4.523 3.248 1.00 1.00 H new ATOM 0 HA2 GLY A 91 -10.734 -4.894 5.125 1.00 1.00 H new ATOM 0 HA3 GLY A 91 -10.531 -6.193 3.967 1.00 1.00 H new ATOM 1221 N HIS A 92 -7.471 -6.098 5.316 1.00 1.00 N ATOM 1222 CA HIS A 92 -6.312 -6.669 6.283 1.00 1.00 C ATOM 1223 C HIS A 92 -6.318 -8.166 6.584 1.00 1.00 C ATOM 1224 O HIS A 92 -7.348 -8.666 7.038 1.00 1.00 O ATOM 1225 CB HIS A 92 -6.471 -5.961 7.739 1.00 1.00 C ATOM 1226 CG HIS A 92 -7.424 -6.730 8.695 1.00 1.00 C ATOM 1227 ND1 HIS A 92 -8.738 -6.332 8.909 1.00 1.00 N ATOM 1228 CD2 HIS A 92 -7.234 -7.834 9.493 1.00 1.00 C ATOM 1229 CE1 HIS A 92 -9.279 -7.185 9.803 1.00 1.00 C ATOM 1230 NE2 HIS A 92 -8.404 -8.118 10.190 1.00 1.00 N ATOM 0 H HIS A 92 -7.110 -5.651 4.473 1.00 1.00 H new ATOM 0 HA HIS A 92 -5.396 -6.455 5.732 1.00 1.00 H new ATOM 0 HB2 HIS A 92 -5.489 -5.879 8.205 1.00 1.00 H new ATOM 0 HB3 HIS A 92 -6.845 -4.946 7.603 1.00 1.00 H new ATOM 0 HD1 HIS A 92 -9.208 -5.540 8.470 1.00 1.00 H new ATOM 0 HD2 HIS A 92 -6.315 -8.396 9.567 1.00 1.00 H new ATOM 0 HE1 HIS A 92 -10.296 -7.122 10.162 1.00 1.00 H new ATOM 1239 N ALA A 93 -5.238 -8.906 6.378 1.00 1.00 N ATOM 1240 CA ALA A 93 -5.296 -10.423 6.750 1.00 1.00 C ATOM 1241 C ALA A 93 -4.670 -10.619 8.143 1.00 1.00 C ATOM 1242 O ALA A 93 -3.450 -10.626 8.290 1.00 1.00 O ATOM 1243 CB ALA A 93 -4.515 -11.361 5.688 1.00 1.00 C ATOM 0 H ALA A 93 -4.354 -8.574 5.992 1.00 1.00 H new ATOM 0 HA ALA A 93 -6.344 -10.721 6.738 1.00 1.00 H new ATOM 0 HB1 ALA A 93 -4.590 -12.403 5.999 1.00 1.00 H new ATOM 0 HB2 ALA A 93 -4.963 -11.244 4.701 1.00 1.00 H new ATOM 0 HB3 ALA A 93 -3.466 -11.069 5.647 1.00 1.00 H new ATOM 1249 N ALA A 94 -5.524 -10.776 9.159 1.00 1.00 N ATOM 1250 CA ALA A 94 -5.045 -10.966 10.534 1.00 1.00 C ATOM 1251 C ALA A 94 -4.388 -12.338 10.685 1.00 1.00 C ATOM 1252 O ALA A 94 -5.110 -13.297 10.897 1.00 1.00 O ATOM 1253 CB ALA A 94 -6.238 -10.843 11.542 1.00 1.00 C ATOM 0 H ALA A 94 -6.539 -10.776 9.059 1.00 1.00 H new ATOM 0 HA ALA A 94 -4.308 -10.193 10.752 1.00 1.00 H new ATOM 0 HB1 ALA A 94 -5.872 -10.986 12.559 1.00 1.00 H new ATOM 0 HB2 ALA A 94 -6.688 -9.854 11.454 1.00 1.00 H new ATOM 0 HB3 ALA A 94 -6.985 -11.603 11.316 1.00 1.00 H new