USER MOD reduce.3.24.130724 H: found=0, std=0, add=886, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 886 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 43 SER OG : rot 110:sc= 0 USER MOD Set 1.2: A 81 MET CE :methyl -119:sc= 0 (180deg=-0.882) USER MOD Single : A 10 GLN : amide:sc= 0.473 K(o=0.47,f=-9.6!) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot -20:sc= 0.372 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 150:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0.0924 X(o=0.092,f=0) USER MOD Single : A 21 ASN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.286 USER MOD Single : A 27 MET CE :methyl -161:sc= -0.145 (180deg=-0.674) USER MOD Single : A 28 SER OG : rot -91:sc= 0.769 USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot 120:sc= -0.601 USER MOD Single : A 35 GLN :FLIP amide:sc= 0 F(o=-0.8,f=0) USER MOD Single : A 38 THR OG1 : rot 73:sc= 1.04 USER MOD Single : A 41 MET CE :methyl -108:sc= -0.791 (180deg=-3.15!) USER MOD Single : A 42 GLN : amide:sc= -1.45 X(o=-1.5,f=-1.1) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 GLN : amide:sc= -0.136 X(o=-0.14,f=-0.28) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 57 SER OG : rot -150:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.385 K(o=-0.38,f=-2.5!) USER MOD Single : A 64 LYS NZ :NH3+ 169:sc=-0.00768 (180deg=-0.13) USER MOD Single : A 66 THR OG1 : rot -119:sc= 1.31 USER MOD Single : A 74 MET CE :methyl -122:sc= -0.23 (180deg=-0.785) USER MOD Single : A 75 HIS : no HD1:sc=-0.00136 K(o=-0.0014,f=-0.58) USER MOD Single : A 82 SER OG : rot -44:sc= 0.353 USER MOD Single : A 84 GLN : amide:sc= -0.13 X(o=-0.13,f=-0.081) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 106 HIS : no HD1:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 107 HIS : no HE2:sc=-0.00634 X(o=-0.0063,f=-0.36) USER MOD Single : A 108 HIS : no HD1:sc= -0.0842 X(o=-0.084,f=0) USER MOD Single : A 109 HIS : no HD1:sc= 0 X(o=0,f=-0.0026) USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=-0.0037) USER MOD Single : A 111 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 3.449 15.470 14.301 1.00 0.00 N ATOM 2 CA PRO A 1 2.821 16.521 13.479 1.00 0.00 C ATOM 3 C PRO A 1 1.316 16.543 13.704 1.00 0.00 C ATOM 4 O PRO A 1 0.716 15.505 13.994 1.00 0.00 O ATOM 5 CB PRO A 1 3.134 16.244 12.014 1.00 0.00 C ATOM 6 CG PRO A 1 3.997 15.023 12.057 1.00 0.00 C ATOM 7 CD PRO A 1 4.534 14.928 13.470 1.00 0.00 C ATOM 0 H2 PRO A 1 2.776 14.744 14.548 1.00 0.00 H new ATOM 0 H3 PRO A 1 3.810 15.852 15.175 1.00 0.00 H new ATOM 0 HA PRO A 1 3.217 17.496 13.763 1.00 0.00 H new ATOM 0 HB2 PRO A 1 2.226 16.071 11.437 1.00 0.00 H new ATOM 0 HB3 PRO A 1 3.652 17.083 11.550 1.00 0.00 H new ATOM 0 HG2 PRO A 1 3.423 14.133 11.799 1.00 0.00 H new ATOM 0 HG3 PRO A 1 4.811 15.097 11.336 1.00 0.00 H new ATOM 0 HD2 PRO A 1 4.767 13.898 13.740 1.00 0.00 H new ATOM 0 HD3 PRO A 1 5.452 15.504 13.587 1.00 0.00 H new ATOM 17 N PRO A 2 0.698 17.730 13.607 1.00 0.00 N ATOM 18 CA PRO A 2 -0.753 17.887 13.745 1.00 0.00 C ATOM 19 C PRO A 2 -1.505 17.190 12.617 1.00 0.00 C ATOM 20 O PRO A 2 -1.353 17.548 11.447 1.00 0.00 O ATOM 21 CB PRO A 2 -0.977 19.403 13.672 1.00 0.00 C ATOM 22 CG PRO A 2 0.364 20.012 13.891 1.00 0.00 C ATOM 23 CD PRO A 2 1.360 19.020 13.367 1.00 0.00 C ATOM 0 HA PRO A 2 -1.121 17.442 14.670 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -1.387 19.693 12.705 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -1.687 19.732 14.431 1.00 0.00 H new ATOM 0 HG2 PRO A 2 0.450 20.964 13.368 1.00 0.00 H new ATOM 0 HG3 PRO A 2 0.533 20.213 14.949 1.00 0.00 H new ATOM 0 HD2 PRO A 2 1.567 19.177 12.308 1.00 0.00 H new ATOM 0 HD3 PRO A 2 2.313 19.089 13.892 1.00 0.00 H new ATOM 31 N VAL A 3 -2.316 16.201 12.991 1.00 0.00 N ATOM 32 CA VAL A 3 -3.094 15.409 12.047 1.00 0.00 C ATOM 33 C VAL A 3 -2.184 14.618 11.109 1.00 0.00 C ATOM 34 O VAL A 3 -1.831 15.064 10.017 1.00 0.00 O ATOM 35 CB VAL A 3 -4.062 16.283 11.234 1.00 0.00 C ATOM 36 CG1 VAL A 3 -4.894 15.444 10.272 1.00 0.00 C ATOM 37 CG2 VAL A 3 -4.967 17.086 12.158 1.00 0.00 C ATOM 0 H VAL A 3 -2.451 15.927 13.964 1.00 0.00 H new ATOM 0 HA VAL A 3 -3.685 14.706 12.633 1.00 0.00 H new ATOM 0 HB VAL A 3 -3.464 16.976 10.643 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -5.568 16.093 9.713 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -4.234 14.923 9.579 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -5.477 14.715 10.835 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -5.644 17.698 11.562 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -5.546 16.405 12.782 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -4.359 17.731 12.793 1.00 0.00 H new ATOM 47 N ALA A 4 -1.787 13.451 11.571 1.00 0.00 N ATOM 48 CA ALA A 4 -0.966 12.543 10.786 1.00 0.00 C ATOM 49 C ALA A 4 -1.787 11.323 10.398 1.00 0.00 C ATOM 50 O ALA A 4 -1.350 10.179 10.550 1.00 0.00 O ATOM 51 CB ALA A 4 0.273 12.137 11.573 1.00 0.00 C ATOM 0 H ALA A 4 -2.022 13.102 12.500 1.00 0.00 H new ATOM 0 HA ALA A 4 -0.636 13.047 9.877 1.00 0.00 H new ATOM 0 HB1 ALA A 4 0.878 11.457 10.973 1.00 0.00 H new ATOM 0 HB2 ALA A 4 0.857 13.025 11.816 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -0.028 11.638 12.494 1.00 0.00 H new ATOM 57 N GLU A 5 -2.989 11.580 9.904 1.00 0.00 N ATOM 58 CA GLU A 5 -3.917 10.522 9.545 1.00 0.00 C ATOM 59 C GLU A 5 -3.568 9.913 8.198 1.00 0.00 C ATOM 60 O GLU A 5 -3.079 10.598 7.303 1.00 0.00 O ATOM 61 CB GLU A 5 -5.346 11.063 9.508 1.00 0.00 C ATOM 62 CG GLU A 5 -5.886 11.449 10.874 1.00 0.00 C ATOM 63 CD GLU A 5 -5.977 10.261 11.809 1.00 0.00 C ATOM 64 OE1 GLU A 5 -6.904 9.441 11.650 1.00 0.00 O ATOM 65 OE2 GLU A 5 -5.121 10.144 12.711 1.00 0.00 O ATOM 0 H GLU A 5 -3.345 12.522 9.742 1.00 0.00 H new ATOM 0 HA GLU A 5 -3.841 9.743 10.304 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -5.379 11.935 8.854 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -5.999 10.310 9.068 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -5.242 12.209 11.316 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -6.874 11.896 10.760 1.00 0.00 H new ATOM 72 N TRP A 6 -3.815 8.621 8.068 1.00 0.00 N ATOM 73 CA TRP A 6 -3.621 7.931 6.808 1.00 0.00 C ATOM 74 C TRP A 6 -4.774 8.276 5.870 1.00 0.00 C ATOM 75 O TRP A 6 -5.936 8.004 6.178 1.00 0.00 O ATOM 76 CB TRP A 6 -3.546 6.423 7.056 1.00 0.00 C ATOM 77 CG TRP A 6 -3.074 5.625 5.882 1.00 0.00 C ATOM 78 CD1 TRP A 6 -2.397 6.082 4.784 1.00 0.00 C ATOM 79 CD2 TRP A 6 -3.232 4.216 5.700 1.00 0.00 C ATOM 80 NE1 TRP A 6 -2.136 5.040 3.929 1.00 0.00 N ATOM 81 CE2 TRP A 6 -2.640 3.885 4.468 1.00 0.00 C ATOM 82 CE3 TRP A 6 -3.828 3.202 6.458 1.00 0.00 C ATOM 83 CZ2 TRP A 6 -2.618 2.581 3.983 1.00 0.00 C ATOM 84 CZ3 TRP A 6 -3.805 1.910 5.974 1.00 0.00 C ATOM 85 CH2 TRP A 6 -3.207 1.610 4.746 1.00 0.00 C ATOM 0 H TRP A 6 -4.152 8.027 8.826 1.00 0.00 H new ATOM 0 HA TRP A 6 -2.686 8.246 6.345 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -2.878 6.239 7.897 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -4.533 6.066 7.349 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -2.111 7.110 4.615 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -1.646 5.113 3.037 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -4.297 3.426 7.404 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -2.152 2.344 3.038 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -4.256 1.118 6.553 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -3.210 0.590 4.392 1.00 0.00 H new ATOM 96 N ALA A 7 -4.446 8.879 4.732 1.00 0.00 N ATOM 97 CA ALA A 7 -5.450 9.424 3.821 1.00 0.00 C ATOM 98 C ALA A 7 -6.167 8.339 3.013 1.00 0.00 C ATOM 99 O ALA A 7 -6.139 8.335 1.779 1.00 0.00 O ATOM 100 CB ALA A 7 -4.809 10.443 2.897 1.00 0.00 C ATOM 0 H ALA A 7 -3.484 9.004 4.416 1.00 0.00 H new ATOM 0 HA ALA A 7 -6.211 9.911 4.430 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -5.563 10.845 2.220 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -4.383 11.253 3.489 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -4.020 9.963 2.317 1.00 0.00 H new ATOM 106 N VAL A 8 -6.787 7.415 3.721 1.00 0.00 N ATOM 107 CA VAL A 8 -7.662 6.427 3.121 1.00 0.00 C ATOM 108 C VAL A 8 -8.965 6.349 3.920 1.00 0.00 C ATOM 109 O VAL A 8 -8.942 6.220 5.147 1.00 0.00 O ATOM 110 CB VAL A 8 -6.985 5.036 3.045 1.00 0.00 C ATOM 111 CG1 VAL A 8 -6.570 4.543 4.422 1.00 0.00 C ATOM 112 CG2 VAL A 8 -7.900 4.029 2.362 1.00 0.00 C ATOM 0 H VAL A 8 -6.697 7.328 4.733 1.00 0.00 H new ATOM 0 HA VAL A 8 -7.880 6.735 2.099 1.00 0.00 H new ATOM 0 HB VAL A 8 -6.080 5.140 2.446 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -6.098 3.564 4.331 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -5.864 5.247 4.863 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -7.450 4.464 5.061 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -7.405 3.059 2.319 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -8.828 3.939 2.927 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -8.123 4.368 1.350 1.00 0.00 H new ATOM 122 N PRO A 9 -10.118 6.482 3.246 1.00 0.00 N ATOM 123 CA PRO A 9 -11.429 6.443 3.905 1.00 0.00 C ATOM 124 C PRO A 9 -11.646 5.159 4.705 1.00 0.00 C ATOM 125 O PRO A 9 -11.229 4.080 4.286 1.00 0.00 O ATOM 126 CB PRO A 9 -12.420 6.514 2.741 1.00 0.00 C ATOM 127 CG PRO A 9 -11.660 7.147 1.628 1.00 0.00 C ATOM 128 CD PRO A 9 -10.238 6.697 1.795 1.00 0.00 C ATOM 0 HA PRO A 9 -11.538 7.251 4.628 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -12.774 5.521 2.463 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -13.298 7.103 3.005 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -12.056 6.840 0.660 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -11.734 8.234 1.673 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -10.037 5.784 1.235 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -9.534 7.450 1.440 1.00 0.00 H new ATOM 136 N GLN A 10 -12.306 5.291 5.851 1.00 0.00 N ATOM 137 CA GLN A 10 -12.605 4.154 6.719 1.00 0.00 C ATOM 138 C GLN A 10 -13.360 3.070 5.956 1.00 0.00 C ATOM 139 O GLN A 10 -12.990 1.898 6.005 1.00 0.00 O ATOM 140 CB GLN A 10 -13.420 4.632 7.930 1.00 0.00 C ATOM 141 CG GLN A 10 -13.994 3.517 8.801 1.00 0.00 C ATOM 142 CD GLN A 10 -12.943 2.717 9.551 1.00 0.00 C ATOM 143 OE1 GLN A 10 -11.820 2.532 9.085 1.00 0.00 O ATOM 144 NE2 GLN A 10 -13.304 2.237 10.728 1.00 0.00 N ATOM 0 H GLN A 10 -12.648 6.185 6.204 1.00 0.00 H new ATOM 0 HA GLN A 10 -11.667 3.721 7.068 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -12.785 5.266 8.549 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -14.241 5.254 7.574 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -14.687 3.952 9.521 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -14.572 2.839 8.172 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -14.244 2.411 11.083 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -12.642 1.693 11.282 1.00 0.00 H new ATOM 153 N SER A 11 -14.400 3.471 5.233 1.00 0.00 N ATOM 154 CA SER A 11 -15.188 2.538 4.436 1.00 0.00 C ATOM 155 C SER A 11 -14.306 1.809 3.422 1.00 0.00 C ATOM 156 O SER A 11 -14.511 0.628 3.135 1.00 0.00 O ATOM 157 CB SER A 11 -16.307 3.292 3.718 1.00 0.00 C ATOM 158 OG SER A 11 -17.097 4.022 4.644 1.00 0.00 O ATOM 0 H SER A 11 -14.718 4.439 5.183 1.00 0.00 H new ATOM 0 HA SER A 11 -15.625 1.793 5.101 1.00 0.00 H new ATOM 0 HB2 SER A 11 -15.879 3.973 2.982 1.00 0.00 H new ATOM 0 HB3 SER A 11 -16.935 2.587 3.173 1.00 0.00 H new ATOM 0 HG SER A 11 -17.806 4.499 4.164 1.00 0.00 H new ATOM 164 N SER A 12 -13.315 2.516 2.902 1.00 0.00 N ATOM 165 CA SER A 12 -12.418 1.958 1.907 1.00 0.00 C ATOM 166 C SER A 12 -11.420 1.003 2.561 1.00 0.00 C ATOM 167 O SER A 12 -11.196 -0.105 2.075 1.00 0.00 O ATOM 168 CB SER A 12 -11.683 3.090 1.185 1.00 0.00 C ATOM 169 OG SER A 12 -10.992 2.621 0.042 1.00 0.00 O ATOM 0 H SER A 12 -13.112 3.483 3.156 1.00 0.00 H new ATOM 0 HA SER A 12 -13.001 1.393 1.180 1.00 0.00 H new ATOM 0 HB2 SER A 12 -12.398 3.857 0.888 1.00 0.00 H new ATOM 0 HB3 SER A 12 -10.977 3.560 1.870 1.00 0.00 H new ATOM 0 HG SER A 12 -10.851 1.654 0.119 1.00 0.00 H new ATOM 175 N ARG A 13 -10.845 1.421 3.686 1.00 0.00 N ATOM 176 CA ARG A 13 -9.811 0.628 4.342 1.00 0.00 C ATOM 177 C ARG A 13 -10.389 -0.621 5.005 1.00 0.00 C ATOM 178 O ARG A 13 -9.735 -1.662 5.053 1.00 0.00 O ATOM 179 CB ARG A 13 -9.001 1.481 5.330 1.00 0.00 C ATOM 180 CG ARG A 13 -9.783 2.133 6.454 1.00 0.00 C ATOM 181 CD ARG A 13 -8.897 3.133 7.191 1.00 0.00 C ATOM 182 NE ARG A 13 -9.508 3.660 8.410 1.00 0.00 N ATOM 183 CZ ARG A 13 -9.056 4.732 9.066 1.00 0.00 C ATOM 184 NH1 ARG A 13 -8.073 5.464 8.551 1.00 0.00 N ATOM 185 NH2 ARG A 13 -9.601 5.088 10.225 1.00 0.00 N ATOM 0 H ARG A 13 -11.075 2.296 4.158 1.00 0.00 H new ATOM 0 HA ARG A 13 -9.123 0.282 3.571 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -8.228 0.852 5.771 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -8.492 2.264 4.768 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -10.661 2.639 6.052 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -10.143 1.373 7.147 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -7.952 2.652 7.445 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -8.663 3.962 6.523 1.00 0.00 H new ATOM 0 HE ARG A 13 -10.328 3.181 8.782 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -7.663 5.207 7.653 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -7.729 6.282 9.054 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -10.368 4.542 10.617 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -9.252 5.907 10.722 1.00 0.00 H new ATOM 199 N LEU A 14 -11.620 -0.522 5.488 1.00 0.00 N ATOM 200 CA LEU A 14 -12.338 -1.682 6.003 1.00 0.00 C ATOM 201 C LEU A 14 -12.576 -2.693 4.886 1.00 0.00 C ATOM 202 O LEU A 14 -12.473 -3.903 5.081 1.00 0.00 O ATOM 203 CB LEU A 14 -13.682 -1.250 6.594 1.00 0.00 C ATOM 204 CG LEU A 14 -13.612 -0.478 7.909 1.00 0.00 C ATOM 205 CD1 LEU A 14 -15.010 -0.116 8.380 1.00 0.00 C ATOM 206 CD2 LEU A 14 -12.892 -1.292 8.969 1.00 0.00 C ATOM 0 H LEU A 14 -12.144 0.352 5.534 1.00 0.00 H new ATOM 0 HA LEU A 14 -11.734 -2.145 6.783 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -14.199 -0.633 5.859 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -14.292 -2.140 6.749 1.00 0.00 H new ATOM 0 HG LEU A 14 -13.050 0.441 7.741 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -14.947 0.434 9.319 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -15.498 0.504 7.628 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -15.590 -1.026 8.532 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -12.852 -0.725 9.899 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -13.428 -2.226 9.137 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -11.878 -1.510 8.634 1.00 0.00 H new ATOM 218 N LYS A 15 -12.889 -2.164 3.712 1.00 0.00 N ATOM 219 CA LYS A 15 -13.184 -2.967 2.529 1.00 0.00 C ATOM 220 C LYS A 15 -11.967 -3.761 2.063 1.00 0.00 C ATOM 221 O LYS A 15 -12.094 -4.914 1.649 1.00 0.00 O ATOM 222 CB LYS A 15 -13.672 -2.034 1.415 1.00 0.00 C ATOM 223 CG LYS A 15 -13.872 -2.689 0.061 1.00 0.00 C ATOM 224 CD LYS A 15 -14.298 -1.652 -0.968 1.00 0.00 C ATOM 225 CE LYS A 15 -14.437 -2.248 -2.356 1.00 0.00 C ATOM 226 NZ LYS A 15 -14.894 -1.239 -3.348 1.00 0.00 N ATOM 0 H LYS A 15 -12.946 -1.159 3.550 1.00 0.00 H new ATOM 0 HA LYS A 15 -13.958 -3.692 2.781 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -14.616 -1.586 1.726 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -12.954 -1.221 1.304 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -12.947 -3.170 -0.258 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -14.629 -3.470 0.135 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -15.248 -1.212 -0.666 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -13.566 -0.844 -0.992 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -13.479 -2.660 -2.672 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -15.146 -3.076 -2.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -14.977 -1.685 -4.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -15.820 -0.864 -3.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -14.205 -0.461 -3.395 1.00 0.00 H new ATOM 240 N TYR A 16 -10.791 -3.156 2.136 1.00 0.00 N ATOM 241 CA TYR A 16 -9.582 -3.806 1.641 1.00 0.00 C ATOM 242 C TYR A 16 -8.875 -4.593 2.737 1.00 0.00 C ATOM 243 O TYR A 16 -8.060 -5.460 2.444 1.00 0.00 O ATOM 244 CB TYR A 16 -8.629 -2.781 1.024 1.00 0.00 C ATOM 245 CG TYR A 16 -9.246 -1.984 -0.105 1.00 0.00 C ATOM 246 CD1 TYR A 16 -10.049 -2.597 -1.057 1.00 0.00 C ATOM 247 CD2 TYR A 16 -9.029 -0.617 -0.214 1.00 0.00 C ATOM 248 CE1 TYR A 16 -10.615 -1.872 -2.087 1.00 0.00 C ATOM 249 CE2 TYR A 16 -9.591 0.115 -1.241 1.00 0.00 C ATOM 250 CZ TYR A 16 -10.384 -0.517 -2.174 1.00 0.00 C ATOM 251 OH TYR A 16 -10.946 0.208 -3.199 1.00 0.00 O ATOM 0 H TYR A 16 -10.646 -2.226 2.528 1.00 0.00 H new ATOM 0 HA TYR A 16 -9.887 -4.512 0.869 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -8.294 -2.095 1.802 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -7.744 -3.298 0.652 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -10.234 -3.659 -0.991 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -8.410 -0.118 0.517 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -11.236 -2.365 -2.821 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -9.410 1.177 -1.313 1.00 0.00 H new ATOM 0 HH TYR A 16 -11.109 1.127 -2.899 1.00 0.00 H new ATOM 261 N ARG A 17 -9.174 -4.302 3.997 1.00 0.00 N ATOM 262 CA ARG A 17 -8.687 -5.149 5.081 1.00 0.00 C ATOM 263 C ARG A 17 -9.438 -6.470 5.036 1.00 0.00 C ATOM 264 O ARG A 17 -8.938 -7.501 5.462 1.00 0.00 O ATOM 265 CB ARG A 17 -8.849 -4.487 6.453 1.00 0.00 C ATOM 266 CG ARG A 17 -8.267 -5.327 7.583 1.00 0.00 C ATOM 267 CD ARG A 17 -8.036 -4.510 8.840 1.00 0.00 C ATOM 268 NE ARG A 17 -9.272 -4.261 9.574 1.00 0.00 N ATOM 269 CZ ARG A 17 -9.575 -3.100 10.148 1.00 0.00 C ATOM 270 NH1 ARG A 17 -8.743 -2.068 10.047 1.00 0.00 N ATOM 271 NH2 ARG A 17 -10.708 -2.971 10.828 1.00 0.00 N ATOM 0 H ARG A 17 -9.738 -3.505 4.291 1.00 0.00 H new ATOM 0 HA ARG A 17 -7.619 -5.313 4.940 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -8.361 -3.512 6.442 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -9.908 -4.311 6.644 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -8.943 -6.152 7.806 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -7.324 -5.767 7.259 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -7.331 -5.033 9.486 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -7.577 -3.558 8.573 1.00 0.00 H new ATOM 0 HE ARG A 17 -9.945 -5.024 9.652 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -7.870 -2.166 9.528 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -8.978 -1.179 10.488 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -11.346 -3.762 10.910 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -10.940 -2.081 11.268 1.00 0.00 H new ATOM 285 N GLN A 18 -10.639 -6.406 4.479 1.00 0.00 N ATOM 286 CA GLN A 18 -11.513 -7.559 4.297 1.00 0.00 C ATOM 287 C GLN A 18 -10.991 -8.510 3.219 1.00 0.00 C ATOM 288 O GLN A 18 -11.413 -9.658 3.124 1.00 0.00 O ATOM 289 CB GLN A 18 -12.879 -7.052 3.862 1.00 0.00 C ATOM 290 CG GLN A 18 -13.930 -7.015 4.955 1.00 0.00 C ATOM 291 CD GLN A 18 -15.227 -6.408 4.464 1.00 0.00 C ATOM 292 OE1 GLN A 18 -16.110 -7.110 3.974 1.00 0.00 O ATOM 293 NE2 GLN A 18 -15.345 -5.095 4.574 1.00 0.00 N ATOM 0 H GLN A 18 -11.042 -5.535 4.134 1.00 0.00 H new ATOM 0 HA GLN A 18 -11.559 -8.105 5.239 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -12.764 -6.047 3.456 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -13.242 -7.684 3.051 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -14.115 -8.027 5.316 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -13.555 -6.438 5.801 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -14.590 -4.548 4.987 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -16.192 -4.630 4.246 1.00 0.00 H new ATOM 302 N LEU A 19 -10.071 -8.014 2.420 1.00 0.00 N ATOM 303 CA LEU A 19 -9.674 -8.663 1.172 1.00 0.00 C ATOM 304 C LEU A 19 -8.343 -8.124 0.730 1.00 0.00 C ATOM 305 O LEU A 19 -8.147 -7.948 -0.461 1.00 0.00 O ATOM 306 CB LEU A 19 -10.667 -8.249 0.100 1.00 0.00 C ATOM 307 CG LEU A 19 -10.935 -9.267 -1.010 1.00 0.00 C ATOM 308 CD1 LEU A 19 -11.503 -10.549 -0.432 1.00 0.00 C ATOM 309 CD2 LEU A 19 -11.879 -8.682 -2.049 1.00 0.00 C ATOM 0 H LEU A 19 -9.571 -7.146 2.611 1.00 0.00 H new ATOM 0 HA LEU A 19 -9.634 -9.742 1.319 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -11.615 -8.015 0.585 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -10.308 -7.328 -0.360 1.00 0.00 H new ATOM 0 HG LEU A 19 -9.990 -9.503 -1.498 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -11.687 -11.261 -1.237 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -10.791 -10.976 0.275 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -12.439 -10.333 0.082 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -12.060 -9.418 -2.832 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -12.824 -8.418 -1.574 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -11.431 -7.790 -2.486 1.00 0.00 H new ATOM 321 N PHE A 20 -7.392 -7.918 1.620 1.00 0.00 N ATOM 322 CA PHE A 20 -6.766 -8.926 2.504 1.00 0.00 C ATOM 323 C PHE A 20 -7.635 -10.045 3.102 1.00 0.00 C ATOM 324 O PHE A 20 -7.677 -11.131 2.536 1.00 0.00 O ATOM 325 CB PHE A 20 -6.043 -8.199 3.639 1.00 0.00 C ATOM 326 CG PHE A 20 -4.772 -8.875 4.065 1.00 0.00 C ATOM 327 CD1 PHE A 20 -3.595 -8.662 3.364 1.00 0.00 C ATOM 328 CD2 PHE A 20 -4.751 -9.724 5.160 1.00 0.00 C ATOM 329 CE1 PHE A 20 -2.422 -9.281 3.747 1.00 0.00 C ATOM 330 CE2 PHE A 20 -3.578 -10.347 5.547 1.00 0.00 C ATOM 331 CZ PHE A 20 -2.412 -10.124 4.840 1.00 0.00 C ATOM 0 H PHE A 20 -6.999 -6.988 1.767 1.00 0.00 H new ATOM 0 HA PHE A 20 -6.110 -9.472 1.825 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.816 -7.181 3.322 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -6.711 -8.124 4.497 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -3.596 -8.004 2.508 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -5.659 -9.901 5.717 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -1.512 -9.106 3.192 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -3.574 -11.007 6.401 1.00 0.00 H new ATOM 0 HZ PHE A 20 -1.495 -10.608 5.142 1.00 0.00 H new ATOM 341 N ASN A 21 -8.335 -9.782 4.200 1.00 0.00 N ATOM 342 CA ASN A 21 -8.701 -10.827 5.184 1.00 0.00 C ATOM 343 C ASN A 21 -9.307 -12.106 4.590 1.00 0.00 C ATOM 344 O ASN A 21 -8.925 -13.200 4.999 1.00 0.00 O ATOM 345 CB ASN A 21 -9.667 -10.258 6.224 1.00 0.00 C ATOM 346 CG ASN A 21 -9.949 -11.227 7.356 1.00 0.00 C ATOM 347 OD1 ASN A 21 -9.110 -12.060 7.708 1.00 0.00 O ATOM 348 ND2 ASN A 21 -11.139 -11.136 7.923 1.00 0.00 N ATOM 0 H ASN A 21 -8.669 -8.849 4.444 1.00 0.00 H new ATOM 0 HA ASN A 21 -7.754 -11.124 5.635 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -9.251 -9.338 6.635 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -10.605 -9.994 5.736 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -11.392 -11.769 8.682 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -11.804 -10.433 7.602 1.00 0.00 H new ATOM 355 N SER A 22 -10.230 -11.994 3.645 1.00 0.00 N ATOM 356 CA SER A 22 -10.869 -13.180 3.073 1.00 0.00 C ATOM 357 C SER A 22 -9.848 -14.073 2.350 1.00 0.00 C ATOM 358 O SER A 22 -10.060 -15.276 2.196 1.00 0.00 O ATOM 359 CB SER A 22 -12.002 -12.776 2.124 1.00 0.00 C ATOM 360 OG SER A 22 -12.756 -13.901 1.703 1.00 0.00 O ATOM 0 H SER A 22 -10.553 -11.107 3.259 1.00 0.00 H new ATOM 0 HA SER A 22 -11.293 -13.759 3.893 1.00 0.00 H new ATOM 0 HB2 SER A 22 -12.659 -12.063 2.623 1.00 0.00 H new ATOM 0 HB3 SER A 22 -11.585 -12.270 1.253 1.00 0.00 H new ATOM 0 HG SER A 22 -13.471 -13.608 1.100 1.00 0.00 H new ATOM 366 N HIS A 23 -8.738 -13.484 1.915 1.00 0.00 N ATOM 367 CA HIS A 23 -7.686 -14.246 1.243 1.00 0.00 C ATOM 368 C HIS A 23 -6.633 -14.732 2.238 1.00 0.00 C ATOM 369 O HIS A 23 -5.670 -15.400 1.860 1.00 0.00 O ATOM 370 CB HIS A 23 -7.018 -13.416 0.138 1.00 0.00 C ATOM 371 CG HIS A 23 -7.836 -13.289 -1.114 1.00 0.00 C ATOM 372 ND1 HIS A 23 -7.919 -14.284 -2.068 1.00 0.00 N ATOM 373 CD2 HIS A 23 -8.601 -12.271 -1.572 1.00 0.00 C ATOM 374 CE1 HIS A 23 -8.697 -13.882 -3.054 1.00 0.00 C ATOM 375 NE2 HIS A 23 -9.125 -12.665 -2.780 1.00 0.00 N ATOM 0 H HIS A 23 -8.543 -12.488 2.014 1.00 0.00 H new ATOM 0 HA HIS A 23 -8.159 -15.115 0.786 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -6.808 -12.419 0.524 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -6.059 -13.869 -0.112 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -8.769 -11.325 -1.080 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -8.942 -14.453 -3.937 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -9.744 -12.107 -3.368 1.00 0.00 H new ATOM 384 N ASP A 24 -6.815 -14.400 3.509 1.00 0.00 N ATOM 385 CA ASP A 24 -5.908 -14.872 4.545 1.00 0.00 C ATOM 386 C ASP A 24 -6.428 -16.172 5.133 1.00 0.00 C ATOM 387 O ASP A 24 -7.624 -16.309 5.411 1.00 0.00 O ATOM 388 CB ASP A 24 -5.727 -13.831 5.650 1.00 0.00 C ATOM 389 CG ASP A 24 -4.831 -14.332 6.771 1.00 0.00 C ATOM 390 OD1 ASP A 24 -3.903 -15.119 6.491 1.00 0.00 O ATOM 391 OD2 ASP A 24 -5.065 -13.948 7.940 1.00 0.00 O ATOM 0 H ASP A 24 -7.576 -13.810 3.845 1.00 0.00 H new ATOM 0 HA ASP A 24 -4.934 -15.043 4.087 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -5.300 -12.923 5.225 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -6.702 -13.564 6.058 1.00 0.00 H new ATOM 396 N LYS A 25 -5.526 -17.118 5.316 1.00 0.00 N ATOM 397 CA LYS A 25 -5.887 -18.448 5.771 1.00 0.00 C ATOM 398 C LYS A 25 -4.677 -19.146 6.384 1.00 0.00 C ATOM 399 O LYS A 25 -4.670 -20.366 6.552 1.00 0.00 O ATOM 400 CB LYS A 25 -6.416 -19.269 4.589 1.00 0.00 C ATOM 401 CG LYS A 25 -5.383 -19.470 3.489 1.00 0.00 C ATOM 402 CD LYS A 25 -5.971 -20.182 2.283 1.00 0.00 C ATOM 403 CE LYS A 25 -4.889 -20.553 1.281 1.00 0.00 C ATOM 404 NZ LYS A 25 -5.448 -21.181 0.054 1.00 0.00 N ATOM 0 H LYS A 25 -4.527 -16.988 5.154 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.663 -18.363 6.531 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -6.747 -20.243 4.950 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -7.290 -18.770 4.171 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -4.987 -18.502 3.182 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -4.545 -20.048 3.879 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -6.493 -21.082 2.608 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -6.710 -19.540 1.803 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -4.329 -19.659 1.006 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -4.183 -21.240 1.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -4.674 -21.416 -0.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -5.960 -22.049 0.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -6.101 -20.517 -0.409 1.00 0.00 H new ATOM 418 N THR A 26 -3.658 -18.368 6.726 1.00 0.00 N ATOM 419 CA THR A 26 -2.414 -18.926 7.215 1.00 0.00 C ATOM 420 C THR A 26 -1.658 -17.877 8.026 1.00 0.00 C ATOM 421 O THR A 26 -2.178 -16.798 8.300 1.00 0.00 O ATOM 422 CB THR A 26 -1.541 -19.442 6.037 1.00 0.00 C ATOM 423 OG1 THR A 26 -0.398 -20.158 6.529 1.00 0.00 O ATOM 424 CG2 THR A 26 -1.084 -18.294 5.148 1.00 0.00 C ATOM 0 H THR A 26 -3.673 -17.350 6.672 1.00 0.00 H new ATOM 0 HA THR A 26 -2.641 -19.774 7.861 1.00 0.00 H new ATOM 0 HB THR A 26 -2.156 -20.118 5.443 1.00 0.00 H new ATOM 0 HG1 THR A 26 0.139 -20.477 5.773 1.00 0.00 H new ATOM 0 HG21 THR A 26 -0.475 -18.685 4.333 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.955 -17.783 4.738 1.00 0.00 H new ATOM 0 HG23 THR A 26 -0.494 -17.591 5.736 1.00 0.00 H new ATOM 432 N MET A 27 -0.438 -18.197 8.405 1.00 0.00 N ATOM 433 CA MET A 27 0.379 -17.298 9.205 1.00 0.00 C ATOM 434 C MET A 27 1.237 -16.418 8.308 1.00 0.00 C ATOM 435 O MET A 27 2.454 -16.590 8.224 1.00 0.00 O ATOM 436 CB MET A 27 1.262 -18.086 10.178 1.00 0.00 C ATOM 437 CG MET A 27 0.475 -18.827 11.245 1.00 0.00 C ATOM 438 SD MET A 27 -0.481 -17.721 12.300 1.00 0.00 S ATOM 439 CE MET A 27 0.826 -16.727 13.024 1.00 0.00 C ATOM 0 H MET A 27 0.016 -19.080 8.171 1.00 0.00 H new ATOM 0 HA MET A 27 -0.287 -16.660 9.786 1.00 0.00 H new ATOM 0 HB2 MET A 27 1.860 -18.803 9.615 1.00 0.00 H new ATOM 0 HB3 MET A 27 1.958 -17.401 10.661 1.00 0.00 H new ATOM 0 HG2 MET A 27 -0.199 -19.537 10.766 1.00 0.00 H new ATOM 0 HG3 MET A 27 1.163 -19.406 11.861 1.00 0.00 H new ATOM 0 HE1 MET A 27 0.456 -16.241 13.926 1.00 0.00 H new ATOM 0 HE2 MET A 27 1.672 -17.366 13.277 1.00 0.00 H new ATOM 0 HE3 MET A 27 1.146 -15.969 12.309 1.00 0.00 H new ATOM 449 N SER A 28 0.589 -15.496 7.618 1.00 0.00 N ATOM 450 CA SER A 28 1.287 -14.564 6.754 1.00 0.00 C ATOM 451 C SER A 28 0.545 -13.238 6.706 1.00 0.00 C ATOM 452 O SER A 28 -0.414 -13.081 5.954 1.00 0.00 O ATOM 453 CB SER A 28 1.441 -15.142 5.338 1.00 0.00 C ATOM 454 OG SER A 28 2.195 -14.272 4.510 1.00 0.00 O ATOM 0 H SER A 28 -0.423 -15.374 7.640 1.00 0.00 H new ATOM 0 HA SER A 28 2.283 -14.396 7.163 1.00 0.00 H new ATOM 0 HB2 SER A 28 1.931 -16.114 5.390 1.00 0.00 H new ATOM 0 HB3 SER A 28 0.457 -15.304 4.899 1.00 0.00 H new ATOM 0 HG SER A 28 1.590 -13.655 4.047 1.00 0.00 H new ATOM 460 N GLY A 29 0.986 -12.288 7.519 1.00 0.00 N ATOM 461 CA GLY A 29 0.378 -10.970 7.524 1.00 0.00 C ATOM 462 C GLY A 29 0.845 -10.120 6.357 1.00 0.00 C ATOM 463 O GLY A 29 1.137 -8.938 6.517 1.00 0.00 O ATOM 0 H GLY A 29 1.756 -12.406 8.177 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.707 -11.072 7.486 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.618 -10.464 8.459 1.00 0.00 H new ATOM 467 N HIS A 30 0.919 -10.732 5.184 1.00 0.00 N ATOM 468 CA HIS A 30 1.335 -10.050 3.967 1.00 0.00 C ATOM 469 C HIS A 30 1.137 -10.959 2.770 1.00 0.00 C ATOM 470 O HIS A 30 1.224 -12.183 2.882 1.00 0.00 O ATOM 471 CB HIS A 30 2.804 -9.590 4.031 1.00 0.00 C ATOM 472 CG HIS A 30 3.795 -10.686 4.306 1.00 0.00 C ATOM 473 ND1 HIS A 30 4.179 -11.055 5.579 1.00 0.00 N ATOM 474 CD2 HIS A 30 4.491 -11.489 3.461 1.00 0.00 C ATOM 475 CE1 HIS A 30 5.064 -12.033 5.505 1.00 0.00 C ATOM 476 NE2 HIS A 30 5.269 -12.314 4.234 1.00 0.00 N ATOM 0 H HIS A 30 0.692 -11.717 5.049 1.00 0.00 H new ATOM 0 HA HIS A 30 0.714 -9.160 3.865 1.00 0.00 H new ATOM 0 HB2 HIS A 30 3.063 -9.114 3.085 1.00 0.00 H new ATOM 0 HB3 HIS A 30 2.899 -8.830 4.807 1.00 0.00 H new ATOM 0 HD2 HIS A 30 4.442 -11.480 2.382 1.00 0.00 H new ATOM 0 HE1 HIS A 30 5.539 -12.520 6.344 1.00 0.00 H new ATOM 0 HE2 HIS A 30 5.904 -13.030 3.881 1.00 0.00 H new ATOM 485 N LEU A 31 0.874 -10.354 1.635 1.00 0.00 N ATOM 486 CA LEU A 31 0.739 -11.086 0.393 1.00 0.00 C ATOM 487 C LEU A 31 2.040 -10.992 -0.380 1.00 0.00 C ATOM 488 O LEU A 31 2.782 -10.020 -0.236 1.00 0.00 O ATOM 489 CB LEU A 31 -0.406 -10.521 -0.448 1.00 0.00 C ATOM 490 CG LEU A 31 -1.782 -10.547 0.224 1.00 0.00 C ATOM 491 CD1 LEU A 31 -2.827 -9.898 -0.670 1.00 0.00 C ATOM 492 CD2 LEU A 31 -2.185 -11.974 0.567 1.00 0.00 C ATOM 0 H LEU A 31 0.748 -9.346 1.544 1.00 0.00 H new ATOM 0 HA LEU A 31 0.514 -12.129 0.618 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.168 -9.491 -0.712 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.464 -11.084 -1.380 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.720 -9.976 1.150 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.798 -9.926 -0.175 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.548 -8.862 -0.863 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.885 -10.440 -1.614 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.165 -11.971 1.044 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.227 -12.569 -0.345 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.452 -12.405 1.249 1.00 0.00 H new ATOM 504 N THR A 32 2.329 -11.998 -1.181 1.00 0.00 N ATOM 505 CA THR A 32 3.543 -12.000 -1.975 1.00 0.00 C ATOM 506 C THR A 32 3.294 -11.322 -3.318 1.00 0.00 C ATOM 507 O THR A 32 2.151 -10.979 -3.636 1.00 0.00 O ATOM 508 CB THR A 32 4.050 -13.438 -2.192 1.00 0.00 C ATOM 509 OG1 THR A 32 2.976 -14.263 -2.666 1.00 0.00 O ATOM 510 CG2 THR A 32 4.606 -14.016 -0.898 1.00 0.00 C ATOM 0 H THR A 32 1.742 -12.823 -1.300 1.00 0.00 H new ATOM 0 HA THR A 32 4.308 -11.444 -1.434 1.00 0.00 H new ATOM 0 HB THR A 32 4.849 -13.414 -2.933 1.00 0.00 H new ATOM 0 HG1 THR A 32 3.209 -14.631 -3.544 1.00 0.00 H new ATOM 0 HG21 THR A 32 4.958 -15.032 -1.075 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.435 -13.400 -0.551 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.823 -14.030 -0.140 1.00 0.00 H new ATOM 518 N GLY A 33 4.360 -11.139 -4.092 1.00 0.00 N ATOM 519 CA GLY A 33 4.270 -10.459 -5.375 1.00 0.00 C ATOM 520 C GLY A 33 3.156 -10.992 -6.257 1.00 0.00 C ATOM 521 O GLY A 33 2.199 -10.270 -6.544 1.00 0.00 O ATOM 0 H GLY A 33 5.299 -11.455 -3.849 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.112 -9.394 -5.204 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.220 -10.560 -5.900 1.00 0.00 H new ATOM 525 N PRO A 34 3.243 -12.259 -6.697 1.00 0.00 N ATOM 526 CA PRO A 34 2.229 -12.864 -7.567 1.00 0.00 C ATOM 527 C PRO A 34 0.824 -12.793 -6.969 1.00 0.00 C ATOM 528 O PRO A 34 -0.121 -12.411 -7.654 1.00 0.00 O ATOM 529 CB PRO A 34 2.686 -14.321 -7.694 1.00 0.00 C ATOM 530 CG PRO A 34 4.145 -14.290 -7.407 1.00 0.00 C ATOM 531 CD PRO A 34 4.341 -13.197 -6.398 1.00 0.00 C ATOM 0 HA PRO A 34 2.154 -12.343 -8.522 1.00 0.00 H new ATOM 0 HB2 PRO A 34 2.158 -14.964 -6.989 1.00 0.00 H new ATOM 0 HB3 PRO A 34 2.488 -14.712 -8.692 1.00 0.00 H new ATOM 0 HG2 PRO A 34 4.487 -15.248 -7.016 1.00 0.00 H new ATOM 0 HG3 PRO A 34 4.718 -14.093 -8.313 1.00 0.00 H new ATOM 0 HD2 PRO A 34 4.280 -13.576 -5.378 1.00 0.00 H new ATOM 0 HD3 PRO A 34 5.316 -12.722 -6.504 1.00 0.00 H new ATOM 539 N GLN A 35 0.696 -13.129 -5.687 1.00 0.00 N ATOM 540 CA GLN A 35 -0.612 -13.152 -5.031 1.00 0.00 C ATOM 541 C GLN A 35 -1.249 -11.767 -5.030 1.00 0.00 C ATOM 542 O GLN A 35 -2.443 -11.622 -5.309 1.00 0.00 O ATOM 543 CB GLN A 35 -0.498 -13.670 -3.595 1.00 0.00 C ATOM 544 CG GLN A 35 0.061 -15.078 -3.502 1.00 0.00 C ATOM 545 CD GLN A 35 -0.091 -15.682 -2.119 1.00 0.00 C ATOM 546 OE1 GLN A 35 -0.179 -14.836 -1.105 1.00 0.00 O flip ATOM 547 NE2 GLN A 35 -0.149 -16.898 -1.963 1.00 0.00 N flip ATOM 0 H GLN A 35 1.477 -13.388 -5.084 1.00 0.00 H new ATOM 0 HA GLN A 35 -1.249 -13.830 -5.599 1.00 0.00 H new ATOM 0 HB2 GLN A 35 0.140 -12.996 -3.024 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -1.483 -13.647 -3.130 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -0.445 -15.714 -4.228 1.00 0.00 H new ATOM 0 HG3 GLN A 35 1.117 -15.063 -3.773 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -0.077 -17.520 -2.769 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -0.269 -17.287 -1.028 1.00 0.00 H new ATOM 556 N ALA A 36 -0.448 -10.755 -4.722 1.00 0.00 N ATOM 557 CA ALA A 36 -0.913 -9.377 -4.727 1.00 0.00 C ATOM 558 C ALA A 36 -1.283 -8.940 -6.140 1.00 0.00 C ATOM 559 O ALA A 36 -2.351 -8.377 -6.369 1.00 0.00 O ATOM 560 CB ALA A 36 0.157 -8.465 -4.158 1.00 0.00 C ATOM 0 H ALA A 36 0.533 -10.866 -4.464 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.804 -9.309 -4.103 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -0.201 -7.435 -4.166 1.00 0.00 H new ATOM 0 HB2 ALA A 36 0.382 -8.763 -3.134 1.00 0.00 H new ATOM 0 HB3 ALA A 36 1.059 -8.540 -4.765 1.00 0.00 H new ATOM 566 N ARG A 37 -0.398 -9.237 -7.085 1.00 0.00 N ATOM 567 CA ARG A 37 -0.577 -8.844 -8.479 1.00 0.00 C ATOM 568 C ARG A 37 -1.796 -9.518 -9.104 1.00 0.00 C ATOM 569 O ARG A 37 -2.475 -8.930 -9.944 1.00 0.00 O ATOM 570 CB ARG A 37 0.688 -9.176 -9.269 1.00 0.00 C ATOM 571 CG ARG A 37 1.841 -8.230 -8.975 1.00 0.00 C ATOM 572 CD ARG A 37 3.144 -8.703 -9.598 1.00 0.00 C ATOM 573 NE ARG A 37 3.063 -8.827 -11.053 1.00 0.00 N ATOM 574 CZ ARG A 37 3.897 -8.222 -11.898 1.00 0.00 C ATOM 575 NH1 ARG A 37 4.849 -7.419 -11.437 1.00 0.00 N ATOM 576 NH2 ARG A 37 3.787 -8.427 -13.204 1.00 0.00 N ATOM 0 H ARG A 37 0.462 -9.756 -6.908 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.753 -7.769 -8.512 1.00 0.00 H new ATOM 0 HB2 ARG A 37 0.995 -10.196 -9.039 1.00 0.00 H new ATOM 0 HB3 ARG A 37 0.462 -9.144 -10.335 1.00 0.00 H new ATOM 0 HG2 ARG A 37 1.599 -7.237 -9.353 1.00 0.00 H new ATOM 0 HG3 ARG A 37 1.968 -8.139 -7.896 1.00 0.00 H new ATOM 0 HD2 ARG A 37 3.939 -8.004 -9.341 1.00 0.00 H new ATOM 0 HD3 ARG A 37 3.417 -9.668 -9.170 1.00 0.00 H new ATOM 0 HE ARG A 37 2.324 -9.411 -11.444 1.00 0.00 H new ATOM 0 HH11 ARG A 37 4.943 -7.264 -10.433 1.00 0.00 H new ATOM 0 HH12 ARG A 37 5.486 -6.957 -12.087 1.00 0.00 H new ATOM 0 HH21 ARG A 37 3.063 -9.049 -13.563 1.00 0.00 H new ATOM 0 HH22 ARG A 37 4.427 -7.963 -13.849 1.00 0.00 H new ATOM 590 N THR A 38 -2.077 -10.741 -8.682 1.00 0.00 N ATOM 591 CA THR A 38 -3.242 -11.467 -9.169 1.00 0.00 C ATOM 592 C THR A 38 -4.538 -10.787 -8.719 1.00 0.00 C ATOM 593 O THR A 38 -5.516 -10.744 -9.463 1.00 0.00 O ATOM 594 CB THR A 38 -3.223 -12.939 -8.700 1.00 0.00 C ATOM 595 OG1 THR A 38 -2.074 -13.608 -9.241 1.00 0.00 O ATOM 596 CG2 THR A 38 -4.488 -13.675 -9.129 1.00 0.00 C ATOM 0 H THR A 38 -1.514 -11.253 -8.003 1.00 0.00 H new ATOM 0 HA THR A 38 -3.202 -11.455 -10.258 1.00 0.00 H new ATOM 0 HB THR A 38 -3.176 -12.944 -7.611 1.00 0.00 H new ATOM 0 HG1 THR A 38 -1.267 -13.294 -8.782 1.00 0.00 H new ATOM 0 HG21 THR A 38 -4.443 -14.708 -8.783 1.00 0.00 H new ATOM 0 HG22 THR A 38 -5.359 -13.185 -8.695 1.00 0.00 H new ATOM 0 HG23 THR A 38 -4.567 -13.659 -10.216 1.00 0.00 H new ATOM 604 N ILE A 39 -4.543 -10.247 -7.508 1.00 0.00 N ATOM 605 CA ILE A 39 -5.701 -9.503 -7.032 1.00 0.00 C ATOM 606 C ILE A 39 -5.771 -8.147 -7.731 1.00 0.00 C ATOM 607 O ILE A 39 -6.848 -7.655 -8.067 1.00 0.00 O ATOM 608 CB ILE A 39 -5.666 -9.304 -5.502 1.00 0.00 C ATOM 609 CG1 ILE A 39 -5.571 -10.659 -4.794 1.00 0.00 C ATOM 610 CG2 ILE A 39 -6.900 -8.543 -5.037 1.00 0.00 C ATOM 611 CD1 ILE A 39 -5.498 -10.558 -3.284 1.00 0.00 C ATOM 0 H ILE A 39 -3.770 -10.308 -6.845 1.00 0.00 H new ATOM 0 HA ILE A 39 -6.591 -10.086 -7.270 1.00 0.00 H new ATOM 0 HB ILE A 39 -4.784 -8.717 -5.246 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -6.437 -11.262 -5.067 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -4.689 -11.186 -5.156 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -6.860 -8.411 -3.956 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -6.929 -7.567 -5.521 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -7.795 -9.106 -5.301 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.433 -11.558 -2.855 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -4.617 -9.983 -3.000 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -6.392 -10.060 -2.909 1.00 0.00 H new ATOM 623 N LEU A 40 -4.605 -7.563 -7.969 1.00 0.00 N ATOM 624 CA LEU A 40 -4.504 -6.277 -8.650 1.00 0.00 C ATOM 625 C LEU A 40 -5.055 -6.348 -10.076 1.00 0.00 C ATOM 626 O LEU A 40 -5.792 -5.461 -10.507 1.00 0.00 O ATOM 627 CB LEU A 40 -3.046 -5.817 -8.678 1.00 0.00 C ATOM 628 CG LEU A 40 -2.467 -5.404 -7.323 1.00 0.00 C ATOM 629 CD1 LEU A 40 -1.022 -4.953 -7.476 1.00 0.00 C ATOM 630 CD2 LEU A 40 -3.310 -4.302 -6.696 1.00 0.00 C ATOM 0 H LEU A 40 -3.707 -7.963 -7.698 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.106 -5.557 -8.095 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.435 -6.623 -9.086 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.961 -4.974 -9.364 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.487 -6.269 -6.661 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.626 -4.663 -6.503 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.426 -5.771 -7.881 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.977 -4.101 -8.155 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.883 -4.021 -5.733 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.322 -3.434 -7.355 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.329 -4.661 -6.551 1.00 0.00 H new ATOM 642 N MET A 41 -4.704 -7.410 -10.798 1.00 0.00 N ATOM 643 CA MET A 41 -5.122 -7.564 -12.192 1.00 0.00 C ATOM 644 C MET A 41 -6.635 -7.757 -12.303 1.00 0.00 C ATOM 645 O MET A 41 -7.208 -7.580 -13.376 1.00 0.00 O ATOM 646 CB MET A 41 -4.389 -8.732 -12.866 1.00 0.00 C ATOM 647 CG MET A 41 -4.801 -10.107 -12.363 1.00 0.00 C ATOM 648 SD MET A 41 -3.926 -11.441 -13.203 1.00 0.00 S ATOM 649 CE MET A 41 -2.232 -11.104 -12.719 1.00 0.00 C ATOM 0 H MET A 41 -4.132 -8.176 -10.443 1.00 0.00 H new ATOM 0 HA MET A 41 -4.856 -6.643 -12.711 1.00 0.00 H new ATOM 0 HB2 MET A 41 -4.565 -8.684 -13.941 1.00 0.00 H new ATOM 0 HB3 MET A 41 -3.317 -8.609 -12.713 1.00 0.00 H new ATOM 0 HG2 MET A 41 -4.611 -10.170 -11.292 1.00 0.00 H new ATOM 0 HG3 MET A 41 -5.874 -10.235 -12.504 1.00 0.00 H new ATOM 0 HE1 MET A 41 -1.679 -10.718 -13.575 1.00 0.00 H new ATOM 0 HE2 MET A 41 -2.223 -10.365 -11.918 1.00 0.00 H new ATOM 0 HE3 MET A 41 -1.764 -12.024 -12.369 1.00 0.00 H new ATOM 659 N GLN A 42 -7.277 -8.116 -11.190 1.00 0.00 N ATOM 660 CA GLN A 42 -8.729 -8.300 -11.159 1.00 0.00 C ATOM 661 C GLN A 42 -9.452 -6.975 -11.395 1.00 0.00 C ATOM 662 O GLN A 42 -10.655 -6.950 -11.668 1.00 0.00 O ATOM 663 CB GLN A 42 -9.171 -8.905 -9.824 1.00 0.00 C ATOM 664 CG GLN A 42 -8.655 -10.316 -9.601 1.00 0.00 C ATOM 665 CD GLN A 42 -9.010 -10.866 -8.233 1.00 0.00 C ATOM 666 OE1 GLN A 42 -10.035 -10.517 -7.648 1.00 0.00 O ATOM 667 NE2 GLN A 42 -8.157 -11.733 -7.710 1.00 0.00 N ATOM 0 H GLN A 42 -6.814 -8.285 -10.297 1.00 0.00 H new ATOM 0 HA GLN A 42 -8.994 -8.989 -11.961 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -8.824 -8.267 -9.012 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -10.260 -8.913 -9.780 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -9.065 -10.973 -10.368 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -7.572 -10.324 -9.720 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -7.318 -11.998 -8.226 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -8.339 -12.136 -6.791 1.00 0.00 H new ATOM 676 N SER A 43 -8.717 -5.873 -11.285 1.00 0.00 N ATOM 677 CA SER A 43 -9.268 -4.560 -11.581 1.00 0.00 C ATOM 678 C SER A 43 -9.228 -4.299 -13.089 1.00 0.00 C ATOM 679 O SER A 43 -9.859 -3.366 -13.586 1.00 0.00 O ATOM 680 CB SER A 43 -8.494 -3.474 -10.827 1.00 0.00 C ATOM 681 OG SER A 43 -9.189 -2.242 -10.855 1.00 0.00 O ATOM 0 H SER A 43 -7.740 -5.865 -10.993 1.00 0.00 H new ATOM 0 HA SER A 43 -10.306 -4.533 -11.251 1.00 0.00 H new ATOM 0 HB2 SER A 43 -8.339 -3.784 -9.794 1.00 0.00 H new ATOM 0 HB3 SER A 43 -7.508 -3.349 -11.274 1.00 0.00 H new ATOM 0 HG SER A 43 -9.532 -2.039 -9.960 1.00 0.00 H new ATOM 687 N SER A 44 -8.477 -5.141 -13.803 1.00 0.00 N ATOM 688 CA SER A 44 -8.376 -5.070 -15.259 1.00 0.00 C ATOM 689 C SER A 44 -7.750 -3.750 -15.716 1.00 0.00 C ATOM 690 O SER A 44 -8.033 -3.257 -16.810 1.00 0.00 O ATOM 691 CB SER A 44 -9.759 -5.273 -15.888 1.00 0.00 C ATOM 692 OG SER A 44 -10.296 -6.535 -15.511 1.00 0.00 O ATOM 0 H SER A 44 -7.923 -5.890 -13.387 1.00 0.00 H new ATOM 0 HA SER A 44 -7.716 -5.869 -15.596 1.00 0.00 H new ATOM 0 HB2 SER A 44 -10.431 -4.475 -15.570 1.00 0.00 H new ATOM 0 HB3 SER A 44 -9.684 -5.212 -16.974 1.00 0.00 H new ATOM 0 HG SER A 44 -11.180 -6.649 -15.919 1.00 0.00 H new ATOM 698 N LEU A 45 -6.875 -3.202 -14.885 1.00 0.00 N ATOM 699 CA LEU A 45 -6.167 -1.976 -15.219 1.00 0.00 C ATOM 700 C LEU A 45 -4.888 -2.293 -15.985 1.00 0.00 C ATOM 701 O LEU A 45 -4.304 -3.363 -15.804 1.00 0.00 O ATOM 702 CB LEU A 45 -5.833 -1.186 -13.951 1.00 0.00 C ATOM 703 CG LEU A 45 -7.041 -0.686 -13.156 1.00 0.00 C ATOM 704 CD1 LEU A 45 -6.592 0.074 -11.918 1.00 0.00 C ATOM 705 CD2 LEU A 45 -7.923 0.197 -14.024 1.00 0.00 C ATOM 0 H LEU A 45 -6.638 -3.589 -13.972 1.00 0.00 H new ATOM 0 HA LEU A 45 -6.815 -1.368 -15.850 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.225 -1.815 -13.300 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.220 -0.328 -14.228 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.621 -1.553 -12.838 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.466 0.421 -11.367 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -6.000 -0.584 -11.282 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.988 0.931 -12.216 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -8.777 0.543 -13.442 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -7.349 1.056 -14.371 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.277 -0.374 -14.882 1.00 0.00 H new ATOM 717 N PRO A 46 -4.447 -1.374 -16.862 1.00 0.00 N ATOM 718 CA PRO A 46 -3.211 -1.541 -17.636 1.00 0.00 C ATOM 719 C PRO A 46 -2.006 -1.866 -16.756 1.00 0.00 C ATOM 720 O PRO A 46 -1.854 -1.308 -15.666 1.00 0.00 O ATOM 721 CB PRO A 46 -3.019 -0.180 -18.306 1.00 0.00 C ATOM 722 CG PRO A 46 -4.383 0.410 -18.378 1.00 0.00 C ATOM 723 CD PRO A 46 -5.131 -0.107 -17.180 1.00 0.00 C ATOM 0 HA PRO A 46 -3.287 -2.373 -18.336 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -2.345 0.453 -17.728 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -2.582 -0.287 -19.299 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -4.337 1.499 -18.367 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -4.883 0.122 -19.303 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -5.085 0.593 -16.346 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -6.186 -0.266 -17.404 1.00 0.00 H new ATOM 731 N GLN A 47 -1.151 -2.757 -17.249 1.00 0.00 N ATOM 732 CA GLN A 47 0.032 -3.206 -16.516 1.00 0.00 C ATOM 733 C GLN A 47 0.939 -2.031 -16.155 1.00 0.00 C ATOM 734 O GLN A 47 1.532 -2.004 -15.078 1.00 0.00 O ATOM 735 CB GLN A 47 0.805 -4.226 -17.357 1.00 0.00 C ATOM 736 CG GLN A 47 2.022 -4.812 -16.658 1.00 0.00 C ATOM 737 CD GLN A 47 2.821 -5.731 -17.561 1.00 0.00 C ATOM 738 OE1 GLN A 47 3.737 -5.292 -18.258 1.00 0.00 O ATOM 739 NE2 GLN A 47 2.474 -7.007 -17.562 1.00 0.00 N ATOM 0 H GLN A 47 -1.257 -3.189 -18.167 1.00 0.00 H new ATOM 0 HA GLN A 47 -0.298 -3.673 -15.588 1.00 0.00 H new ATOM 0 HB2 GLN A 47 0.132 -5.038 -17.633 1.00 0.00 H new ATOM 0 HB3 GLN A 47 1.126 -3.749 -18.283 1.00 0.00 H new ATOM 0 HG2 GLN A 47 2.663 -4.002 -16.310 1.00 0.00 H new ATOM 0 HG3 GLN A 47 1.700 -5.365 -15.776 1.00 0.00 H new ATOM 0 HE21 GLN A 47 1.709 -7.328 -16.969 1.00 0.00 H new ATOM 0 HE22 GLN A 47 2.972 -7.670 -18.156 1.00 0.00 H new ATOM 748 N ALA A 48 1.037 -1.061 -17.059 1.00 0.00 N ATOM 749 CA ALA A 48 1.826 0.140 -16.811 1.00 0.00 C ATOM 750 C ALA A 48 1.327 0.867 -15.566 1.00 0.00 C ATOM 751 O ALA A 48 2.116 1.285 -14.716 1.00 0.00 O ATOM 752 CB ALA A 48 1.780 1.061 -18.021 1.00 0.00 C ATOM 0 H ALA A 48 0.579 -1.084 -17.970 1.00 0.00 H new ATOM 0 HA ALA A 48 2.860 -0.157 -16.639 1.00 0.00 H new ATOM 0 HB1 ALA A 48 2.373 1.953 -17.822 1.00 0.00 H new ATOM 0 HB2 ALA A 48 2.186 0.542 -18.889 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.748 1.349 -18.220 1.00 0.00 H new ATOM 758 N GLN A 49 0.008 0.993 -15.458 1.00 0.00 N ATOM 759 CA GLN A 49 -0.611 1.625 -14.301 1.00 0.00 C ATOM 760 C GLN A 49 -0.440 0.748 -13.068 1.00 0.00 C ATOM 761 O GLN A 49 -0.159 1.245 -11.978 1.00 0.00 O ATOM 762 CB GLN A 49 -2.096 1.882 -14.561 1.00 0.00 C ATOM 763 CG GLN A 49 -2.359 2.883 -15.679 1.00 0.00 C ATOM 764 CD GLN A 49 -1.751 4.246 -15.398 1.00 0.00 C ATOM 765 OE1 GLN A 49 -0.606 4.518 -15.759 1.00 0.00 O ATOM 766 NE2 GLN A 49 -2.514 5.115 -14.753 1.00 0.00 N ATOM 0 H GLN A 49 -0.654 0.664 -16.161 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.118 2.581 -14.125 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.581 0.938 -14.810 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.559 2.246 -13.644 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.953 2.494 -16.613 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.435 2.991 -15.819 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -3.458 4.853 -14.470 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -2.158 6.046 -14.539 1.00 0.00 H new ATOM 775 N LEU A 50 -0.592 -0.559 -13.257 1.00 0.00 N ATOM 776 CA LEU A 50 -0.422 -1.526 -12.184 1.00 0.00 C ATOM 777 C LEU A 50 0.977 -1.430 -11.581 1.00 0.00 C ATOM 778 O LEU A 50 1.133 -1.362 -10.361 1.00 0.00 O ATOM 779 CB LEU A 50 -0.667 -2.938 -12.716 1.00 0.00 C ATOM 780 CG LEU A 50 -2.121 -3.259 -13.069 1.00 0.00 C ATOM 781 CD1 LEU A 50 -2.238 -4.679 -13.602 1.00 0.00 C ATOM 782 CD2 LEU A 50 -3.022 -3.069 -11.854 1.00 0.00 C ATOM 0 H LEU A 50 -0.836 -0.974 -14.156 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.147 -1.304 -11.401 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.053 -3.086 -13.605 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.325 -3.655 -11.969 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.446 -2.570 -13.848 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.279 -4.891 -13.848 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.625 -4.783 -14.497 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.894 -5.382 -12.843 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.052 -3.302 -12.125 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.698 -3.734 -11.053 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.961 -2.035 -11.514 1.00 0.00 H new ATOM 794 N ALA A 51 1.986 -1.406 -12.446 1.00 0.00 N ATOM 795 CA ALA A 51 3.373 -1.303 -12.013 1.00 0.00 C ATOM 796 C ALA A 51 3.635 0.034 -11.323 1.00 0.00 C ATOM 797 O ALA A 51 4.357 0.098 -10.330 1.00 0.00 O ATOM 798 CB ALA A 51 4.311 -1.487 -13.197 1.00 0.00 C ATOM 0 H ALA A 51 1.866 -1.457 -13.458 1.00 0.00 H new ATOM 0 HA ALA A 51 3.563 -2.096 -11.290 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.344 -1.408 -12.859 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.149 -2.470 -13.640 1.00 0.00 H new ATOM 0 HB3 ALA A 51 4.113 -0.716 -13.941 1.00 0.00 H new ATOM 804 N SER A 52 3.032 1.097 -11.842 1.00 0.00 N ATOM 805 CA SER A 52 3.205 2.423 -11.267 1.00 0.00 C ATOM 806 C SER A 52 2.566 2.496 -9.881 1.00 0.00 C ATOM 807 O SER A 52 3.145 3.064 -8.957 1.00 0.00 O ATOM 808 CB SER A 52 2.611 3.489 -12.192 1.00 0.00 C ATOM 809 OG SER A 52 2.922 4.797 -11.737 1.00 0.00 O ATOM 0 H SER A 52 2.421 1.066 -12.658 1.00 0.00 H new ATOM 0 HA SER A 52 4.273 2.616 -11.161 1.00 0.00 H new ATOM 0 HB2 SER A 52 2.996 3.352 -13.203 1.00 0.00 H new ATOM 0 HB3 SER A 52 1.529 3.367 -12.244 1.00 0.00 H new ATOM 0 HG SER A 52 2.532 5.457 -12.347 1.00 0.00 H new ATOM 815 N ILE A 53 1.378 1.917 -9.741 1.00 0.00 N ATOM 816 CA ILE A 53 0.696 1.864 -8.451 1.00 0.00 C ATOM 817 C ILE A 53 1.484 0.998 -7.472 1.00 0.00 C ATOM 818 O ILE A 53 1.640 1.357 -6.305 1.00 0.00 O ATOM 819 CB ILE A 53 -0.746 1.325 -8.598 1.00 0.00 C ATOM 820 CG1 ILE A 53 -1.600 2.331 -9.376 1.00 0.00 C ATOM 821 CG2 ILE A 53 -1.362 1.031 -7.235 1.00 0.00 C ATOM 822 CD1 ILE A 53 -3.012 1.862 -9.645 1.00 0.00 C ATOM 0 H ILE A 53 0.866 1.477 -10.506 1.00 0.00 H new ATOM 0 HA ILE A 53 0.637 2.880 -8.062 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.712 0.388 -9.153 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.639 3.267 -8.818 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.113 2.547 -10.327 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.376 0.653 -7.368 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -0.761 0.283 -6.718 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.390 1.946 -6.643 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -3.551 2.630 -10.200 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -2.985 0.943 -10.231 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -3.519 1.674 -8.699 1.00 0.00 H new ATOM 834 N TRP A 54 1.997 -0.126 -7.966 1.00 0.00 N ATOM 835 CA TRP A 54 2.850 -0.998 -7.166 1.00 0.00 C ATOM 836 C TRP A 54 4.046 -0.211 -6.641 1.00 0.00 C ATOM 837 O TRP A 54 4.335 -0.222 -5.449 1.00 0.00 O ATOM 838 CB TRP A 54 3.333 -2.182 -8.012 1.00 0.00 C ATOM 839 CG TRP A 54 4.173 -3.171 -7.257 1.00 0.00 C ATOM 840 CD1 TRP A 54 5.512 -3.086 -7.000 1.00 0.00 C ATOM 841 CD2 TRP A 54 3.728 -4.397 -6.670 1.00 0.00 C ATOM 842 NE1 TRP A 54 5.925 -4.188 -6.291 1.00 0.00 N ATOM 843 CE2 TRP A 54 4.847 -5.008 -6.073 1.00 0.00 C ATOM 844 CE3 TRP A 54 2.491 -5.040 -6.590 1.00 0.00 C ATOM 845 CZ2 TRP A 54 4.763 -6.231 -5.405 1.00 0.00 C ATOM 846 CZ3 TRP A 54 2.411 -6.250 -5.926 1.00 0.00 C ATOM 847 CH2 TRP A 54 3.540 -6.833 -5.343 1.00 0.00 C ATOM 0 H TRP A 54 1.836 -0.454 -8.918 1.00 0.00 H new ATOM 0 HA TRP A 54 2.275 -1.379 -6.322 1.00 0.00 H new ATOM 0 HB2 TRP A 54 2.466 -2.698 -8.425 1.00 0.00 H new ATOM 0 HB3 TRP A 54 3.909 -1.801 -8.856 1.00 0.00 H new ATOM 0 HD1 TRP A 54 6.152 -2.272 -7.309 1.00 0.00 H new ATOM 0 HE1 TRP A 54 6.879 -4.367 -5.977 1.00 0.00 H new ATOM 0 HE3 TRP A 54 1.613 -4.600 -7.039 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 5.634 -6.684 -4.954 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.458 -6.754 -5.856 1.00 0.00 H new ATOM 0 HH2 TRP A 54 3.442 -7.780 -4.833 1.00 0.00 H new ATOM 858 N ASN A 55 4.712 0.495 -7.549 1.00 0.00 N ATOM 859 CA ASN A 55 5.891 1.284 -7.212 1.00 0.00 C ATOM 860 C ASN A 55 5.559 2.373 -6.196 1.00 0.00 C ATOM 861 O ASN A 55 6.377 2.711 -5.343 1.00 0.00 O ATOM 862 CB ASN A 55 6.477 1.921 -8.476 1.00 0.00 C ATOM 863 CG ASN A 55 7.758 2.686 -8.210 1.00 0.00 C ATOM 864 OD1 ASN A 55 7.741 3.889 -7.939 1.00 0.00 O ATOM 865 ND2 ASN A 55 8.878 1.990 -8.289 1.00 0.00 N ATOM 0 H ASN A 55 4.451 0.536 -8.534 1.00 0.00 H new ATOM 0 HA ASN A 55 6.625 0.613 -6.767 1.00 0.00 H new ATOM 0 HB2 ASN A 55 6.671 1.142 -9.213 1.00 0.00 H new ATOM 0 HB3 ASN A 55 5.740 2.596 -8.912 1.00 0.00 H new ATOM 0 HD21 ASN A 55 9.775 2.446 -8.123 1.00 0.00 H new ATOM 0 HD22 ASN A 55 8.846 0.996 -8.516 1.00 0.00 H new ATOM 872 N LEU A 56 4.356 2.924 -6.302 1.00 0.00 N ATOM 873 CA LEU A 56 3.908 3.970 -5.391 1.00 0.00 C ATOM 874 C LEU A 56 3.578 3.408 -4.012 1.00 0.00 C ATOM 875 O LEU A 56 3.751 4.087 -3.002 1.00 0.00 O ATOM 876 CB LEU A 56 2.687 4.691 -5.968 1.00 0.00 C ATOM 877 CG LEU A 56 2.976 5.604 -7.162 1.00 0.00 C ATOM 878 CD1 LEU A 56 1.685 6.201 -7.700 1.00 0.00 C ATOM 879 CD2 LEU A 56 3.950 6.705 -6.768 1.00 0.00 C ATOM 0 H LEU A 56 3.672 2.663 -7.012 1.00 0.00 H new ATOM 0 HA LEU A 56 4.726 4.682 -5.278 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.953 3.944 -6.271 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.229 5.286 -5.178 1.00 0.00 H new ATOM 0 HG LEU A 56 3.434 5.006 -7.950 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.909 6.847 -8.549 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.019 5.400 -8.020 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.200 6.785 -6.917 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.144 7.344 -7.629 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.519 7.301 -5.963 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.885 6.259 -6.429 1.00 0.00 H new ATOM 891 N SER A 57 3.107 2.171 -3.976 1.00 0.00 N ATOM 892 CA SER A 57 2.717 1.543 -2.725 1.00 0.00 C ATOM 893 C SER A 57 3.921 0.901 -2.041 1.00 0.00 C ATOM 894 O SER A 57 3.936 0.733 -0.822 1.00 0.00 O ATOM 895 CB SER A 57 1.633 0.492 -2.982 1.00 0.00 C ATOM 896 OG SER A 57 1.129 -0.040 -1.769 1.00 0.00 O ATOM 0 H SER A 57 2.986 1.582 -4.800 1.00 0.00 H new ATOM 0 HA SER A 57 2.319 2.312 -2.063 1.00 0.00 H new ATOM 0 HB2 SER A 57 0.818 0.940 -3.551 1.00 0.00 H new ATOM 0 HB3 SER A 57 2.043 -0.313 -3.592 1.00 0.00 H new ATOM 0 HG SER A 57 0.837 -0.964 -1.913 1.00 0.00 H new ATOM 902 N ASP A 58 4.923 0.536 -2.830 1.00 0.00 N ATOM 903 CA ASP A 58 6.115 -0.107 -2.296 1.00 0.00 C ATOM 904 C ASP A 58 7.134 0.916 -1.811 1.00 0.00 C ATOM 905 O ASP A 58 7.346 1.960 -2.434 1.00 0.00 O ATOM 906 CB ASP A 58 6.749 -1.025 -3.343 1.00 0.00 C ATOM 907 CG ASP A 58 8.085 -1.579 -2.883 1.00 0.00 C ATOM 908 OD1 ASP A 58 8.225 -1.878 -1.676 1.00 0.00 O ATOM 909 OD2 ASP A 58 8.996 -1.711 -3.727 1.00 0.00 O ATOM 0 H ASP A 58 4.934 0.674 -3.841 1.00 0.00 H new ATOM 0 HA ASP A 58 5.806 -0.707 -1.440 1.00 0.00 H new ATOM 0 HB2 ASP A 58 6.070 -1.850 -3.560 1.00 0.00 H new ATOM 0 HB3 ASP A 58 6.887 -0.473 -4.273 1.00 0.00 H new ATOM 914 N ILE A 59 7.767 0.602 -0.692 1.00 0.00 N ATOM 915 CA ILE A 59 8.761 1.478 -0.104 1.00 0.00 C ATOM 916 C ILE A 59 10.090 0.739 0.087 1.00 0.00 C ATOM 917 O ILE A 59 11.162 1.353 0.035 1.00 0.00 O ATOM 918 CB ILE A 59 8.275 2.038 1.254 1.00 0.00 C ATOM 919 CG1 ILE A 59 6.883 2.662 1.103 1.00 0.00 C ATOM 920 CG2 ILE A 59 9.256 3.072 1.787 1.00 0.00 C ATOM 921 CD1 ILE A 59 6.288 3.155 2.406 1.00 0.00 C ATOM 0 H ILE A 59 7.607 -0.260 -0.171 1.00 0.00 H new ATOM 0 HA ILE A 59 8.914 2.311 -0.790 1.00 0.00 H new ATOM 0 HB ILE A 59 8.217 1.214 1.966 1.00 0.00 H new ATOM 0 HG12 ILE A 59 6.943 3.496 0.404 1.00 0.00 H new ATOM 0 HG13 ILE A 59 6.211 1.925 0.663 1.00 0.00 H new ATOM 0 HG21 ILE A 59 8.898 3.455 2.743 1.00 0.00 H new ATOM 0 HG22 ILE A 59 10.233 2.609 1.925 1.00 0.00 H new ATOM 0 HG23 ILE A 59 9.341 3.894 1.076 1.00 0.00 H new ATOM 0 HD11 ILE A 59 5.303 3.583 2.217 1.00 0.00 H new ATOM 0 HD12 ILE A 59 6.194 2.321 3.102 1.00 0.00 H new ATOM 0 HD13 ILE A 59 6.938 3.916 2.838 1.00 0.00 H new ATOM 933 N ASP A 60 10.023 -0.583 0.279 1.00 0.00 N ATOM 934 CA ASP A 60 11.227 -1.374 0.570 1.00 0.00 C ATOM 935 C ASP A 60 10.997 -2.881 0.362 1.00 0.00 C ATOM 936 O ASP A 60 11.882 -3.697 0.625 1.00 0.00 O ATOM 937 CB ASP A 60 11.686 -1.113 2.015 1.00 0.00 C ATOM 938 CG ASP A 60 13.093 -1.616 2.288 1.00 0.00 C ATOM 939 OD1 ASP A 60 14.056 -0.993 1.795 1.00 0.00 O ATOM 940 OD2 ASP A 60 13.245 -2.635 2.998 1.00 0.00 O ATOM 0 H ASP A 60 9.159 -1.124 0.239 1.00 0.00 H new ATOM 0 HA ASP A 60 12.001 -1.060 -0.130 1.00 0.00 H new ATOM 0 HB2 ASP A 60 11.643 -0.043 2.217 1.00 0.00 H new ATOM 0 HB3 ASP A 60 10.993 -1.596 2.704 1.00 0.00 H new ATOM 945 N GLN A 61 9.832 -3.257 -0.149 1.00 0.00 N ATOM 946 CA GLN A 61 9.483 -4.663 -0.307 1.00 0.00 C ATOM 947 C GLN A 61 8.825 -4.892 -1.665 1.00 0.00 C ATOM 948 O GLN A 61 7.604 -5.009 -1.790 1.00 0.00 O ATOM 949 CB GLN A 61 8.598 -5.137 0.849 1.00 0.00 C ATOM 950 CG GLN A 61 7.349 -4.304 1.033 1.00 0.00 C ATOM 951 CD GLN A 61 6.523 -4.713 2.237 1.00 0.00 C ATOM 952 OE1 GLN A 61 6.530 -5.873 2.661 1.00 0.00 O ATOM 953 NE2 GLN A 61 5.799 -3.757 2.790 1.00 0.00 N ATOM 0 H GLN A 61 9.111 -2.607 -0.462 1.00 0.00 H new ATOM 0 HA GLN A 61 10.394 -5.261 -0.276 1.00 0.00 H new ATOM 0 HB2 GLN A 61 8.311 -6.174 0.675 1.00 0.00 H new ATOM 0 HB3 GLN A 61 9.178 -5.117 1.772 1.00 0.00 H new ATOM 0 HG2 GLN A 61 7.632 -3.256 1.135 1.00 0.00 H new ATOM 0 HG3 GLN A 61 6.734 -4.382 0.136 1.00 0.00 H new ATOM 0 HE21 GLN A 61 5.824 -2.812 2.407 1.00 0.00 H new ATOM 0 HE22 GLN A 61 5.215 -3.963 3.601 1.00 0.00 H new ATOM 962 N ASP A 62 9.677 -4.968 -2.676 1.00 0.00 N ATOM 963 CA ASP A 62 9.261 -4.992 -4.077 1.00 0.00 C ATOM 964 C ASP A 62 8.393 -6.202 -4.394 1.00 0.00 C ATOM 965 O ASP A 62 7.706 -6.229 -5.412 1.00 0.00 O ATOM 966 CB ASP A 62 10.495 -4.979 -4.991 1.00 0.00 C ATOM 967 CG ASP A 62 10.139 -5.018 -6.468 1.00 0.00 C ATOM 968 OD1 ASP A 62 9.723 -3.974 -7.010 1.00 0.00 O ATOM 969 OD2 ASP A 62 10.284 -6.092 -7.092 1.00 0.00 O ATOM 0 H ASP A 62 10.688 -5.015 -2.549 1.00 0.00 H new ATOM 0 HA ASP A 62 8.661 -4.100 -4.257 1.00 0.00 H new ATOM 0 HB2 ASP A 62 11.082 -4.083 -4.788 1.00 0.00 H new ATOM 0 HB3 ASP A 62 11.127 -5.835 -4.752 1.00 0.00 H new ATOM 974 N GLY A 63 8.407 -7.198 -3.532 1.00 0.00 N ATOM 975 CA GLY A 63 7.630 -8.380 -3.800 1.00 0.00 C ATOM 976 C GLY A 63 6.733 -8.793 -2.654 1.00 0.00 C ATOM 977 O GLY A 63 6.402 -9.973 -2.529 1.00 0.00 O ATOM 0 H GLY A 63 8.936 -7.211 -2.660 1.00 0.00 H new ATOM 0 HA2 GLY A 63 7.017 -8.208 -4.685 1.00 0.00 H new ATOM 0 HA3 GLY A 63 8.306 -9.202 -4.035 1.00 0.00 H new ATOM 981 N LYS A 64 6.343 -7.846 -1.807 1.00 0.00 N ATOM 982 CA LYS A 64 5.389 -8.141 -0.739 1.00 0.00 C ATOM 983 C LYS A 64 4.439 -6.970 -0.522 1.00 0.00 C ATOM 984 O LYS A 64 4.857 -5.817 -0.535 1.00 0.00 O ATOM 985 CB LYS A 64 6.090 -8.447 0.590 1.00 0.00 C ATOM 986 CG LYS A 64 7.129 -9.555 0.527 1.00 0.00 C ATOM 987 CD LYS A 64 7.777 -9.774 1.885 1.00 0.00 C ATOM 988 CE LYS A 64 8.841 -10.857 1.833 1.00 0.00 C ATOM 989 NZ LYS A 64 9.988 -10.482 0.964 1.00 0.00 N ATOM 0 H LYS A 64 6.667 -6.879 -1.836 1.00 0.00 H new ATOM 0 HA LYS A 64 4.833 -9.023 -1.058 1.00 0.00 H new ATOM 0 HB2 LYS A 64 6.572 -7.537 0.947 1.00 0.00 H new ATOM 0 HB3 LYS A 64 5.335 -8.719 1.328 1.00 0.00 H new ATOM 0 HG2 LYS A 64 6.660 -10.480 0.191 1.00 0.00 H new ATOM 0 HG3 LYS A 64 7.893 -9.300 -0.207 1.00 0.00 H new ATOM 0 HD2 LYS A 64 8.224 -8.841 2.229 1.00 0.00 H new ATOM 0 HD3 LYS A 64 7.013 -10.049 2.612 1.00 0.00 H new ATOM 0 HE2 LYS A 64 9.203 -11.056 2.842 1.00 0.00 H new ATOM 0 HE3 LYS A 64 8.397 -11.782 1.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 10.765 -11.159 1.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 9.689 -10.499 -0.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 10.313 -9.526 1.212 1.00 0.00 H new ATOM 1003 N LEU A 65 3.166 -7.279 -0.326 1.00 0.00 N ATOM 1004 CA LEU A 65 2.172 -6.274 0.038 1.00 0.00 C ATOM 1005 C LEU A 65 1.442 -6.711 1.301 1.00 0.00 C ATOM 1006 O LEU A 65 0.723 -7.710 1.291 1.00 0.00 O ATOM 1007 CB LEU A 65 1.154 -6.055 -1.093 1.00 0.00 C ATOM 1008 CG LEU A 65 1.676 -5.327 -2.339 1.00 0.00 C ATOM 1009 CD1 LEU A 65 0.519 -4.930 -3.241 1.00 0.00 C ATOM 1010 CD2 LEU A 65 2.489 -4.099 -1.957 1.00 0.00 C ATOM 0 H LEU A 65 2.793 -8.224 -0.413 1.00 0.00 H new ATOM 0 HA LEU A 65 2.692 -5.333 0.214 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.768 -7.027 -1.400 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.312 -5.490 -0.693 1.00 0.00 H new ATOM 0 HG LEU A 65 2.329 -6.011 -2.880 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.904 -4.414 -4.121 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.023 -5.823 -3.552 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.155 -4.267 -2.698 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.846 -3.604 -2.860 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.863 -3.411 -1.389 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.341 -4.402 -1.348 1.00 0.00 H new ATOM 1022 N THR A 66 1.639 -5.984 2.392 1.00 0.00 N ATOM 1023 CA THR A 66 0.969 -6.306 3.644 1.00 0.00 C ATOM 1024 C THR A 66 -0.479 -5.839 3.591 1.00 0.00 C ATOM 1025 O THR A 66 -0.958 -5.422 2.539 1.00 0.00 O ATOM 1026 CB THR A 66 1.663 -5.637 4.845 1.00 0.00 C ATOM 1027 OG1 THR A 66 1.444 -4.222 4.807 1.00 0.00 O ATOM 1028 CG2 THR A 66 3.155 -5.931 4.841 1.00 0.00 C ATOM 0 H THR A 66 2.254 -5.171 2.436 1.00 0.00 H new ATOM 0 HA THR A 66 1.014 -7.387 3.773 1.00 0.00 H new ATOM 0 HB THR A 66 1.235 -6.045 5.761 1.00 0.00 H new ATOM 0 HG1 THR A 66 2.305 -3.759 4.738 1.00 0.00 H new ATOM 0 HG21 THR A 66 3.623 -5.448 5.699 1.00 0.00 H new ATOM 0 HG22 THR A 66 3.314 -7.008 4.900 1.00 0.00 H new ATOM 0 HG23 THR A 66 3.599 -5.548 3.922 1.00 0.00 H new ATOM 1036 N ALA A 67 -1.175 -5.892 4.718 1.00 0.00 N ATOM 1037 CA ALA A 67 -2.531 -5.376 4.773 1.00 0.00 C ATOM 1038 C ALA A 67 -2.512 -3.864 4.613 1.00 0.00 C ATOM 1039 O ALA A 67 -3.365 -3.289 3.940 1.00 0.00 O ATOM 1040 CB ALA A 67 -3.210 -5.774 6.075 1.00 0.00 C ATOM 0 H ALA A 67 -0.827 -6.282 5.594 1.00 0.00 H new ATOM 0 HA ALA A 67 -3.105 -5.809 3.954 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.225 -5.376 6.093 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.245 -6.861 6.149 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.647 -5.371 6.917 1.00 0.00 H new ATOM 1046 N GLU A 68 -1.512 -3.236 5.219 1.00 0.00 N ATOM 1047 CA GLU A 68 -1.324 -1.799 5.120 1.00 0.00 C ATOM 1048 C GLU A 68 -1.029 -1.399 3.678 1.00 0.00 C ATOM 1049 O GLU A 68 -1.594 -0.435 3.161 1.00 0.00 O ATOM 1050 CB GLU A 68 -0.185 -1.330 6.040 1.00 0.00 C ATOM 1051 CG GLU A 68 -0.470 -1.477 7.533 1.00 0.00 C ATOM 1052 CD GLU A 68 -0.274 -2.890 8.066 1.00 0.00 C ATOM 1053 OE1 GLU A 68 -1.194 -3.723 7.922 1.00 0.00 O ATOM 1054 OE2 GLU A 68 0.792 -3.167 8.660 1.00 0.00 O ATOM 0 H GLU A 68 -0.812 -3.709 5.791 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.247 -1.315 5.440 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.715 -1.895 5.798 1.00 0.00 H new ATOM 0 HB3 GLU A 68 0.029 -0.283 5.826 1.00 0.00 H new ATOM 0 HG2 GLU A 68 0.180 -0.798 8.085 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -1.496 -1.165 7.729 1.00 0.00 H new ATOM 1061 N GLU A 69 -0.167 -2.163 3.020 1.00 0.00 N ATOM 1062 CA GLU A 69 0.216 -1.858 1.650 1.00 0.00 C ATOM 1063 C GLU A 69 -0.925 -2.166 0.693 1.00 0.00 C ATOM 1064 O GLU A 69 -1.156 -1.434 -0.265 1.00 0.00 O ATOM 1065 CB GLU A 69 1.470 -2.631 1.231 1.00 0.00 C ATOM 1066 CG GLU A 69 2.778 -1.996 1.685 1.00 0.00 C ATOM 1067 CD GLU A 69 2.932 -1.963 3.189 1.00 0.00 C ATOM 1068 OE1 GLU A 69 3.390 -2.975 3.759 1.00 0.00 O ATOM 1069 OE2 GLU A 69 2.596 -0.932 3.802 1.00 0.00 O ATOM 0 H GLU A 69 0.277 -2.994 3.411 1.00 0.00 H new ATOM 0 HA GLU A 69 0.442 -0.793 1.605 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.411 -3.642 1.634 1.00 0.00 H new ATOM 0 HB3 GLU A 69 1.481 -2.721 0.145 1.00 0.00 H new ATOM 0 HG2 GLU A 69 3.612 -2.548 1.253 1.00 0.00 H new ATOM 0 HG3 GLU A 69 2.834 -0.979 1.298 1.00 0.00 H new ATOM 1076 N PHE A 70 -1.647 -3.244 0.961 1.00 0.00 N ATOM 1077 CA PHE A 70 -2.760 -3.639 0.112 1.00 0.00 C ATOM 1078 C PHE A 70 -3.840 -2.561 0.101 1.00 0.00 C ATOM 1079 O PHE A 70 -4.355 -2.200 -0.960 1.00 0.00 O ATOM 1080 CB PHE A 70 -3.349 -4.969 0.575 1.00 0.00 C ATOM 1081 CG PHE A 70 -4.362 -5.532 -0.379 1.00 0.00 C ATOM 1082 CD1 PHE A 70 -5.689 -5.140 -0.313 1.00 0.00 C ATOM 1083 CD2 PHE A 70 -3.982 -6.449 -1.346 1.00 0.00 C ATOM 1084 CE1 PHE A 70 -6.618 -5.649 -1.192 1.00 0.00 C ATOM 1085 CE2 PHE A 70 -4.910 -6.965 -2.229 1.00 0.00 C ATOM 1086 CZ PHE A 70 -6.231 -6.565 -2.152 1.00 0.00 C ATOM 0 H PHE A 70 -1.482 -3.859 1.758 1.00 0.00 H new ATOM 0 HA PHE A 70 -2.381 -3.762 -0.903 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -2.542 -5.690 0.705 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -3.815 -4.832 1.551 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -5.998 -4.427 0.437 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -2.951 -6.763 -1.410 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -7.649 -5.333 -1.132 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -4.604 -7.680 -2.979 1.00 0.00 H new ATOM 0 HZ PHE A 70 -6.959 -6.967 -2.841 1.00 0.00 H new ATOM 1096 N ILE A 71 -4.178 -2.049 1.280 1.00 0.00 N ATOM 1097 CA ILE A 71 -5.162 -0.984 1.391 1.00 0.00 C ATOM 1098 C ILE A 71 -4.708 0.240 0.600 1.00 0.00 C ATOM 1099 O ILE A 71 -5.493 0.842 -0.129 1.00 0.00 O ATOM 1100 CB ILE A 71 -5.415 -0.591 2.865 1.00 0.00 C ATOM 1101 CG1 ILE A 71 -6.011 -1.774 3.641 1.00 0.00 C ATOM 1102 CG2 ILE A 71 -6.339 0.615 2.941 1.00 0.00 C ATOM 1103 CD1 ILE A 71 -6.202 -1.499 5.118 1.00 0.00 C ATOM 0 H ILE A 71 -3.784 -2.355 2.170 1.00 0.00 H new ATOM 0 HA ILE A 71 -6.098 -1.358 0.977 1.00 0.00 H new ATOM 0 HB ILE A 71 -4.461 -0.325 3.321 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -6.973 -2.037 3.202 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -5.359 -2.640 3.523 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -6.507 0.879 3.985 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -5.881 1.457 2.423 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -7.292 0.374 2.470 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -6.627 -2.380 5.600 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -5.239 -1.266 5.572 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -6.878 -0.654 5.246 1.00 0.00 H new ATOM 1115 N LEU A 72 -3.431 0.584 0.730 1.00 0.00 N ATOM 1116 CA LEU A 72 -2.858 1.695 -0.017 1.00 0.00 C ATOM 1117 C LEU A 72 -2.943 1.432 -1.518 1.00 0.00 C ATOM 1118 O LEU A 72 -3.424 2.275 -2.281 1.00 0.00 O ATOM 1119 CB LEU A 72 -1.400 1.923 0.397 1.00 0.00 C ATOM 1120 CG LEU A 72 -0.667 3.025 -0.373 1.00 0.00 C ATOM 1121 CD1 LEU A 72 -1.401 4.351 -0.246 1.00 0.00 C ATOM 1122 CD2 LEU A 72 0.767 3.156 0.121 1.00 0.00 C ATOM 0 H LEU A 72 -2.773 0.108 1.347 1.00 0.00 H new ATOM 0 HA LEU A 72 -3.431 2.593 0.212 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.375 2.166 1.459 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.853 0.989 0.271 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.645 2.749 -1.427 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.863 5.119 -0.801 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.408 4.250 -0.651 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.459 4.635 0.805 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.274 3.944 -0.437 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.765 3.407 1.182 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.291 2.212 -0.028 1.00 0.00 H new ATOM 1134 N ALA A 73 -2.497 0.252 -1.926 1.00 0.00 N ATOM 1135 CA ALA A 73 -2.492 -0.139 -3.330 1.00 0.00 C ATOM 1136 C ALA A 73 -3.883 -0.049 -3.947 1.00 0.00 C ATOM 1137 O ALA A 73 -4.067 0.597 -4.976 1.00 0.00 O ATOM 1138 CB ALA A 73 -1.937 -1.545 -3.482 1.00 0.00 C ATOM 0 H ALA A 73 -2.129 -0.460 -1.295 1.00 0.00 H new ATOM 0 HA ALA A 73 -1.849 0.560 -3.865 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.939 -1.825 -4.535 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -0.917 -1.577 -3.100 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -2.557 -2.244 -2.920 1.00 0.00 H new ATOM 1144 N MET A 74 -4.870 -0.679 -3.316 1.00 0.00 N ATOM 1145 CA MET A 74 -6.225 -0.675 -3.863 1.00 0.00 C ATOM 1146 C MET A 74 -6.909 0.673 -3.679 1.00 0.00 C ATOM 1147 O MET A 74 -7.884 0.971 -4.364 1.00 0.00 O ATOM 1148 CB MET A 74 -7.080 -1.792 -3.271 1.00 0.00 C ATOM 1149 CG MET A 74 -6.738 -3.164 -3.823 1.00 0.00 C ATOM 1150 SD MET A 74 -8.156 -4.281 -3.830 1.00 0.00 S ATOM 1151 CE MET A 74 -9.210 -3.485 -5.043 1.00 0.00 C ATOM 0 H MET A 74 -4.762 -1.191 -2.440 1.00 0.00 H new ATOM 0 HA MET A 74 -6.125 -0.857 -4.933 1.00 0.00 H new ATOM 0 HB2 MET A 74 -6.955 -1.802 -2.188 1.00 0.00 H new ATOM 0 HB3 MET A 74 -8.131 -1.580 -3.468 1.00 0.00 H new ATOM 0 HG2 MET A 74 -6.358 -3.059 -4.839 1.00 0.00 H new ATOM 0 HG3 MET A 74 -5.937 -3.602 -3.227 1.00 0.00 H new ATOM 0 HE1 MET A 74 -10.171 -3.244 -4.588 1.00 0.00 H new ATOM 0 HE2 MET A 74 -8.734 -2.569 -5.393 1.00 0.00 H new ATOM 0 HE3 MET A 74 -9.367 -4.158 -5.886 1.00 0.00 H new ATOM 1161 N HIS A 75 -6.408 1.487 -2.758 1.00 0.00 N ATOM 1162 CA HIS A 75 -6.877 2.861 -2.639 1.00 0.00 C ATOM 1163 C HIS A 75 -6.407 3.653 -3.852 1.00 0.00 C ATOM 1164 O HIS A 75 -7.123 4.512 -4.360 1.00 0.00 O ATOM 1165 CB HIS A 75 -6.370 3.498 -1.339 1.00 0.00 C ATOM 1166 CG HIS A 75 -6.775 4.932 -1.145 1.00 0.00 C ATOM 1167 ND1 HIS A 75 -8.054 5.400 -1.360 1.00 0.00 N ATOM 1168 CD2 HIS A 75 -6.051 6.006 -0.748 1.00 0.00 C ATOM 1169 CE1 HIS A 75 -8.095 6.693 -1.106 1.00 0.00 C ATOM 1170 NE2 HIS A 75 -6.896 7.087 -0.729 1.00 0.00 N ATOM 0 H HIS A 75 -5.685 1.223 -2.089 1.00 0.00 H new ATOM 0 HA HIS A 75 -7.966 2.870 -2.604 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -6.738 2.913 -0.496 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -5.282 3.436 -1.320 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -5.001 6.011 -0.493 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -8.967 7.324 -1.193 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -6.638 8.038 -0.466 1.00 0.00 H new ATOM 1179 N LEU A 76 -5.209 3.336 -4.317 1.00 0.00 N ATOM 1180 CA LEU A 76 -4.686 3.924 -5.539 1.00 0.00 C ATOM 1181 C LEU A 76 -5.407 3.332 -6.747 1.00 0.00 C ATOM 1182 O LEU A 76 -5.710 4.039 -7.705 1.00 0.00 O ATOM 1183 CB LEU A 76 -3.179 3.687 -5.644 1.00 0.00 C ATOM 1184 CG LEU A 76 -2.342 4.313 -4.522 1.00 0.00 C ATOM 1185 CD1 LEU A 76 -0.867 3.977 -4.698 1.00 0.00 C ATOM 1186 CD2 LEU A 76 -2.546 5.821 -4.489 1.00 0.00 C ATOM 0 H LEU A 76 -4.579 2.673 -3.865 1.00 0.00 H new ATOM 0 HA LEU A 76 -4.860 5.000 -5.517 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -2.996 2.613 -5.656 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -2.831 4.081 -6.599 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.674 3.896 -3.571 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.292 4.431 -3.891 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -0.735 2.895 -4.674 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -0.517 4.364 -5.655 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.946 6.252 -3.688 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.240 6.251 -5.443 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -3.599 6.042 -4.313 1.00 0.00 H new ATOM 1198 N ILE A 77 -5.685 2.031 -6.683 1.00 0.00 N ATOM 1199 CA ILE A 77 -6.477 1.352 -7.710 1.00 0.00 C ATOM 1200 C ILE A 77 -7.837 2.031 -7.873 1.00 0.00 C ATOM 1201 O ILE A 77 -8.276 2.305 -8.988 1.00 0.00 O ATOM 1202 CB ILE A 77 -6.700 -0.140 -7.353 1.00 0.00 C ATOM 1203 CG1 ILE A 77 -5.379 -0.912 -7.385 1.00 0.00 C ATOM 1204 CG2 ILE A 77 -7.716 -0.786 -8.286 1.00 0.00 C ATOM 1205 CD1 ILE A 77 -4.750 -1.010 -8.756 1.00 0.00 C ATOM 0 H ILE A 77 -5.372 1.422 -5.927 1.00 0.00 H new ATOM 0 HA ILE A 77 -5.919 1.414 -8.645 1.00 0.00 H new ATOM 0 HB ILE A 77 -7.099 -0.180 -6.339 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -4.674 -0.430 -6.708 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -5.550 -1.919 -7.004 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -7.850 -1.832 -8.010 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -8.669 -0.264 -8.204 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -7.357 -0.725 -9.313 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -3.818 -1.572 -8.690 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -5.434 -1.520 -9.434 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -4.543 -0.009 -9.134 1.00 0.00 H new ATOM 1217 N ASP A 78 -8.479 2.320 -6.748 1.00 0.00 N ATOM 1218 CA ASP A 78 -9.789 2.968 -6.742 1.00 0.00 C ATOM 1219 C ASP A 78 -9.735 4.328 -7.443 1.00 0.00 C ATOM 1220 O ASP A 78 -10.675 4.724 -8.133 1.00 0.00 O ATOM 1221 CB ASP A 78 -10.276 3.133 -5.299 1.00 0.00 C ATOM 1222 CG ASP A 78 -11.684 3.687 -5.201 1.00 0.00 C ATOM 1223 OD1 ASP A 78 -12.645 2.936 -5.470 1.00 0.00 O ATOM 1224 OD2 ASP A 78 -11.837 4.870 -4.836 1.00 0.00 O ATOM 0 H ASP A 78 -8.111 2.114 -5.819 1.00 0.00 H new ATOM 0 HA ASP A 78 -10.489 2.337 -7.290 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -10.238 2.166 -4.797 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -9.594 3.796 -4.766 1.00 0.00 H new ATOM 1229 N VAL A 79 -8.621 5.032 -7.267 1.00 0.00 N ATOM 1230 CA VAL A 79 -8.419 6.322 -7.917 1.00 0.00 C ATOM 1231 C VAL A 79 -8.113 6.136 -9.404 1.00 0.00 C ATOM 1232 O VAL A 79 -8.709 6.797 -10.257 1.00 0.00 O ATOM 1233 CB VAL A 79 -7.273 7.118 -7.252 1.00 0.00 C ATOM 1234 CG1 VAL A 79 -7.057 8.455 -7.952 1.00 0.00 C ATOM 1235 CG2 VAL A 79 -7.560 7.334 -5.773 1.00 0.00 C ATOM 0 H VAL A 79 -7.844 4.730 -6.679 1.00 0.00 H new ATOM 0 HA VAL A 79 -9.344 6.888 -7.806 1.00 0.00 H new ATOM 0 HB VAL A 79 -6.358 6.533 -7.348 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -6.245 8.994 -7.464 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -6.800 8.281 -8.997 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -7.971 9.047 -7.896 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -6.742 7.896 -5.322 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -8.489 7.892 -5.660 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -7.654 6.369 -5.276 1.00 0.00 H new ATOM 1245 N ALA A 80 -7.204 5.218 -9.712 1.00 0.00 N ATOM 1246 CA ALA A 80 -6.809 4.955 -11.095 1.00 0.00 C ATOM 1247 C ALA A 80 -7.987 4.449 -11.920 1.00 0.00 C ATOM 1248 O ALA A 80 -8.106 4.762 -13.104 1.00 0.00 O ATOM 1249 CB ALA A 80 -5.671 3.952 -11.138 1.00 0.00 C ATOM 0 H ALA A 80 -6.724 4.641 -9.022 1.00 0.00 H new ATOM 0 HA ALA A 80 -6.470 5.895 -11.530 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -5.388 3.767 -12.174 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -4.814 4.350 -10.594 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -5.992 3.018 -10.677 1.00 0.00 H new ATOM 1255 N MET A 81 -8.856 3.670 -11.283 1.00 0.00 N ATOM 1256 CA MET A 81 -10.063 3.155 -11.922 1.00 0.00 C ATOM 1257 C MET A 81 -11.024 4.281 -12.306 1.00 0.00 C ATOM 1258 O MET A 81 -11.989 4.063 -13.036 1.00 0.00 O ATOM 1259 CB MET A 81 -10.759 2.179 -10.976 1.00 0.00 C ATOM 1260 CG MET A 81 -10.869 0.768 -11.521 1.00 0.00 C ATOM 1261 SD MET A 81 -12.052 0.640 -12.875 1.00 0.00 S ATOM 1262 CE MET A 81 -12.034 -1.124 -13.176 1.00 0.00 C ATOM 0 H MET A 81 -8.744 3.378 -10.312 1.00 0.00 H new ATOM 0 HA MET A 81 -9.770 2.643 -12.839 1.00 0.00 H new ATOM 0 HB2 MET A 81 -10.214 2.152 -10.032 1.00 0.00 H new ATOM 0 HB3 MET A 81 -11.759 2.552 -10.756 1.00 0.00 H new ATOM 0 HG2 MET A 81 -9.889 0.438 -11.867 1.00 0.00 H new ATOM 0 HG3 MET A 81 -11.167 0.094 -10.718 1.00 0.00 H new ATOM 0 HE1 MET A 81 -11.697 -1.316 -14.195 1.00 0.00 H new ATOM 0 HE2 MET A 81 -11.355 -1.606 -12.473 1.00 0.00 H new ATOM 0 HE3 MET A 81 -13.039 -1.526 -13.044 1.00 0.00 H new ATOM 1272 N SER A 82 -10.763 5.479 -11.807 1.00 0.00 N ATOM 1273 CA SER A 82 -11.574 6.637 -12.143 1.00 0.00 C ATOM 1274 C SER A 82 -10.968 7.370 -13.342 1.00 0.00 C ATOM 1275 O SER A 82 -11.350 8.500 -13.660 1.00 0.00 O ATOM 1276 CB SER A 82 -11.674 7.566 -10.930 1.00 0.00 C ATOM 1277 OG SER A 82 -12.641 8.584 -11.133 1.00 0.00 O ATOM 0 H SER A 82 -9.994 5.674 -11.166 1.00 0.00 H new ATOM 0 HA SER A 82 -12.578 6.311 -12.414 1.00 0.00 H new ATOM 0 HB2 SER A 82 -11.936 6.985 -10.046 1.00 0.00 H new ATOM 0 HB3 SER A 82 -10.702 8.019 -10.737 1.00 0.00 H new ATOM 0 HG SER A 82 -12.544 8.952 -12.036 1.00 0.00 H new ATOM 1283 N GLY A 83 -10.012 6.720 -13.998 1.00 0.00 N ATOM 1284 CA GLY A 83 -9.385 7.290 -15.176 1.00 0.00 C ATOM 1285 C GLY A 83 -8.375 8.362 -14.828 1.00 0.00 C ATOM 1286 O GLY A 83 -7.957 9.135 -15.688 1.00 0.00 O ATOM 0 H GLY A 83 -9.658 5.801 -13.732 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -8.892 6.499 -15.741 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -10.152 7.714 -15.824 1.00 0.00 H new ATOM 1290 N GLN A 84 -7.981 8.400 -13.563 1.00 0.00 N ATOM 1291 CA GLN A 84 -7.067 9.414 -13.071 1.00 0.00 C ATOM 1292 C GLN A 84 -5.622 9.080 -13.420 1.00 0.00 C ATOM 1293 O GLN A 84 -5.246 7.907 -13.507 1.00 0.00 O ATOM 1294 CB GLN A 84 -7.213 9.551 -11.555 1.00 0.00 C ATOM 1295 CG GLN A 84 -8.572 10.069 -11.111 1.00 0.00 C ATOM 1296 CD GLN A 84 -8.857 11.469 -11.614 1.00 0.00 C ATOM 1297 OE1 GLN A 84 -8.499 12.454 -10.970 1.00 0.00 O ATOM 1298 NE2 GLN A 84 -9.521 11.571 -12.753 1.00 0.00 N ATOM 0 H GLN A 84 -8.285 7.732 -12.855 1.00 0.00 H new ATOM 0 HA GLN A 84 -7.321 10.358 -13.553 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -7.037 8.579 -11.094 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -6.440 10.224 -11.185 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -9.349 9.393 -11.470 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -8.621 10.062 -10.022 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -9.800 10.730 -13.258 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -9.754 12.491 -13.127 1.00 0.00 H new ATOM 1307 N PRO A 85 -4.802 10.112 -13.662 1.00 0.00 N ATOM 1308 CA PRO A 85 -3.367 9.955 -13.870 1.00 0.00 C ATOM 1309 C PRO A 85 -2.646 9.713 -12.548 1.00 0.00 C ATOM 1310 O PRO A 85 -3.126 10.124 -11.489 1.00 0.00 O ATOM 1311 CB PRO A 85 -2.928 11.298 -14.483 1.00 0.00 C ATOM 1312 CG PRO A 85 -4.187 12.068 -14.727 1.00 0.00 C ATOM 1313 CD PRO A 85 -5.203 11.517 -13.771 1.00 0.00 C ATOM 0 HA PRO A 85 -3.132 9.101 -14.506 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -2.265 11.838 -13.807 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -2.379 11.143 -15.412 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -4.031 13.134 -14.559 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -4.520 11.954 -15.759 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -5.171 12.025 -12.807 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -6.219 11.621 -14.153 1.00 0.00 H new ATOM 1321 N LEU A 86 -1.504 9.050 -12.604 1.00 0.00 N ATOM 1322 CA LEU A 86 -0.753 8.749 -11.397 1.00 0.00 C ATOM 1323 C LEU A 86 0.402 9.729 -11.233 1.00 0.00 C ATOM 1324 O LEU A 86 1.023 10.138 -12.215 1.00 0.00 O ATOM 1325 CB LEU A 86 -0.227 7.311 -11.447 1.00 0.00 C ATOM 1326 CG LEU A 86 -1.308 6.233 -11.568 1.00 0.00 C ATOM 1327 CD1 LEU A 86 -0.674 4.859 -11.689 1.00 0.00 C ATOM 1328 CD2 LEU A 86 -2.250 6.280 -10.374 1.00 0.00 C ATOM 0 H LEU A 86 -1.078 8.711 -13.467 1.00 0.00 H new ATOM 0 HA LEU A 86 -1.417 8.849 -10.539 1.00 0.00 H new ATOM 0 HB2 LEU A 86 0.455 7.218 -12.293 1.00 0.00 H new ATOM 0 HB3 LEU A 86 0.356 7.121 -10.546 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.888 6.429 -12.470 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.455 4.104 -11.774 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.041 4.827 -12.576 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -0.070 4.658 -10.804 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.010 5.506 -10.480 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -1.685 6.110 -9.458 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.731 7.257 -10.328 1.00 0.00 H new ATOM 1340 N PRO A 87 0.697 10.120 -9.988 1.00 0.00 N ATOM 1341 CA PRO A 87 1.790 11.033 -9.680 1.00 0.00 C ATOM 1342 C PRO A 87 3.142 10.321 -9.625 1.00 0.00 C ATOM 1343 O PRO A 87 3.207 9.110 -9.385 1.00 0.00 O ATOM 1344 CB PRO A 87 1.426 11.590 -8.293 1.00 0.00 C ATOM 1345 CG PRO A 87 0.168 10.895 -7.868 1.00 0.00 C ATOM 1346 CD PRO A 87 -0.017 9.715 -8.780 1.00 0.00 C ATOM 0 HA PRO A 87 1.898 11.802 -10.445 1.00 0.00 H new ATOM 0 HB2 PRO A 87 2.229 11.407 -7.579 1.00 0.00 H new ATOM 0 HB3 PRO A 87 1.277 12.669 -8.336 1.00 0.00 H new ATOM 0 HG2 PRO A 87 0.239 10.571 -6.830 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -0.685 11.570 -7.934 1.00 0.00 H new ATOM 0 HD2 PRO A 87 0.400 8.804 -8.351 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -1.071 9.520 -8.980 1.00 0.00 H new ATOM 1354 N PRO A 88 4.240 11.061 -9.858 1.00 0.00 N ATOM 1355 CA PRO A 88 5.595 10.520 -9.733 1.00 0.00 C ATOM 1356 C PRO A 88 5.891 10.078 -8.302 1.00 0.00 C ATOM 1357 O PRO A 88 6.436 8.998 -8.071 1.00 0.00 O ATOM 1358 CB PRO A 88 6.501 11.689 -10.136 1.00 0.00 C ATOM 1359 CG PRO A 88 5.653 12.909 -9.999 1.00 0.00 C ATOM 1360 CD PRO A 88 4.245 12.470 -10.286 1.00 0.00 C ATOM 0 HA PRO A 88 5.742 9.635 -10.352 1.00 0.00 H new ATOM 0 HB2 PRO A 88 7.379 11.746 -9.493 1.00 0.00 H new ATOM 0 HB3 PRO A 88 6.861 11.573 -11.158 1.00 0.00 H new ATOM 0 HG2 PRO A 88 5.734 13.330 -8.997 1.00 0.00 H new ATOM 0 HG3 PRO A 88 5.970 13.684 -10.697 1.00 0.00 H new ATOM 0 HD2 PRO A 88 3.517 13.062 -9.731 1.00 0.00 H new ATOM 0 HD3 PRO A 88 3.999 12.571 -11.343 1.00 0.00 H new ATOM 1368 N VAL A 89 5.508 10.918 -7.351 1.00 0.00 N ATOM 1369 CA VAL A 89 5.675 10.616 -5.940 1.00 0.00 C ATOM 1370 C VAL A 89 4.307 10.637 -5.262 1.00 0.00 C ATOM 1371 O VAL A 89 3.383 11.291 -5.745 1.00 0.00 O ATOM 1372 CB VAL A 89 6.611 11.633 -5.244 1.00 0.00 C ATOM 1373 CG1 VAL A 89 6.993 11.162 -3.846 1.00 0.00 C ATOM 1374 CG2 VAL A 89 7.859 11.892 -6.081 1.00 0.00 C ATOM 0 H VAL A 89 5.075 11.823 -7.536 1.00 0.00 H new ATOM 0 HA VAL A 89 6.131 9.630 -5.853 1.00 0.00 H new ATOM 0 HB VAL A 89 6.064 12.571 -5.148 1.00 0.00 H new ATOM 0 HG11 VAL A 89 7.651 11.897 -3.382 1.00 0.00 H new ATOM 0 HG12 VAL A 89 6.093 11.048 -3.242 1.00 0.00 H new ATOM 0 HG13 VAL A 89 7.509 10.204 -3.913 1.00 0.00 H new ATOM 0 HG21 VAL A 89 8.499 12.610 -5.568 1.00 0.00 H new ATOM 0 HG22 VAL A 89 8.403 10.958 -6.222 1.00 0.00 H new ATOM 0 HG23 VAL A 89 7.569 12.293 -7.052 1.00 0.00 H new ATOM 1384 N LEU A 90 4.180 9.919 -4.160 1.00 0.00 N ATOM 1385 CA LEU A 90 2.917 9.832 -3.442 1.00 0.00 C ATOM 1386 C LEU A 90 2.912 10.836 -2.289 1.00 0.00 C ATOM 1387 O LEU A 90 3.956 11.091 -1.687 1.00 0.00 O ATOM 1388 CB LEU A 90 2.732 8.403 -2.912 1.00 0.00 C ATOM 1389 CG LEU A 90 1.317 8.035 -2.458 1.00 0.00 C ATOM 1390 CD1 LEU A 90 0.360 8.041 -3.639 1.00 0.00 C ATOM 1391 CD2 LEU A 90 1.319 6.675 -1.777 1.00 0.00 C ATOM 0 H LEU A 90 4.940 9.384 -3.740 1.00 0.00 H new ATOM 0 HA LEU A 90 2.092 10.070 -4.114 1.00 0.00 H new ATOM 0 HB2 LEU A 90 3.035 7.705 -3.692 1.00 0.00 H new ATOM 0 HB3 LEU A 90 3.411 8.257 -2.072 1.00 0.00 H new ATOM 0 HG LEU A 90 0.977 8.781 -1.740 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.641 7.777 -3.298 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.341 9.035 -4.087 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.693 7.315 -4.381 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.307 6.426 -1.459 1.00 0.00 H new ATOM 0 HD22 LEU A 90 1.677 5.919 -2.476 1.00 0.00 H new ATOM 0 HD23 LEU A 90 1.975 6.705 -0.907 1.00 0.00 H new ATOM 1403 N PRO A 91 1.754 11.454 -1.986 1.00 0.00 N ATOM 1404 CA PRO A 91 1.633 12.364 -0.842 1.00 0.00 C ATOM 1405 C PRO A 91 1.968 11.669 0.479 1.00 0.00 C ATOM 1406 O PRO A 91 1.765 10.463 0.621 1.00 0.00 O ATOM 1407 CB PRO A 91 0.158 12.778 -0.866 1.00 0.00 C ATOM 1408 CG PRO A 91 -0.284 12.542 -2.268 1.00 0.00 C ATOM 1409 CD PRO A 91 0.499 11.355 -2.749 1.00 0.00 C ATOM 0 HA PRO A 91 2.324 13.204 -0.913 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -0.429 12.188 -0.162 1.00 0.00 H new ATOM 0 HB3 PRO A 91 0.037 13.824 -0.584 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -1.356 12.348 -2.313 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -0.092 13.416 -2.891 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -0.023 10.419 -2.548 1.00 0.00 H new ATOM 0 HD3 PRO A 91 0.676 11.397 -3.824 1.00 0.00 H new ATOM 1417 N PRO A 92 2.445 12.431 1.477 1.00 0.00 N ATOM 1418 CA PRO A 92 2.917 11.871 2.749 1.00 0.00 C ATOM 1419 C PRO A 92 1.809 11.199 3.554 1.00 0.00 C ATOM 1420 O PRO A 92 2.015 10.136 4.134 1.00 0.00 O ATOM 1421 CB PRO A 92 3.463 13.087 3.510 1.00 0.00 C ATOM 1422 CG PRO A 92 3.635 14.151 2.481 1.00 0.00 C ATOM 1423 CD PRO A 92 2.579 13.894 1.444 1.00 0.00 C ATOM 0 HA PRO A 92 3.656 11.088 2.581 1.00 0.00 H new ATOM 0 HB2 PRO A 92 2.773 13.404 4.292 1.00 0.00 H new ATOM 0 HB3 PRO A 92 4.410 12.854 3.996 1.00 0.00 H new ATOM 0 HG2 PRO A 92 3.518 15.142 2.920 1.00 0.00 H new ATOM 0 HG3 PRO A 92 4.632 14.112 2.042 1.00 0.00 H new ATOM 0 HD2 PRO A 92 1.641 14.392 1.689 1.00 0.00 H new ATOM 0 HD3 PRO A 92 2.882 14.251 0.460 1.00 0.00 H new ATOM 1431 N GLU A 93 0.633 11.813 3.574 1.00 0.00 N ATOM 1432 CA GLU A 93 -0.492 11.287 4.343 1.00 0.00 C ATOM 1433 C GLU A 93 -1.041 10.002 3.732 1.00 0.00 C ATOM 1434 O GLU A 93 -1.793 9.272 4.372 1.00 0.00 O ATOM 1435 CB GLU A 93 -1.591 12.342 4.476 1.00 0.00 C ATOM 1436 CG GLU A 93 -1.583 13.051 5.824 1.00 0.00 C ATOM 1437 CD GLU A 93 -0.211 13.564 6.224 1.00 0.00 C ATOM 1438 OE1 GLU A 93 0.569 12.791 6.825 1.00 0.00 O ATOM 1439 OE2 GLU A 93 0.090 14.742 5.945 1.00 0.00 O ATOM 0 H GLU A 93 0.431 12.675 3.068 1.00 0.00 H new ATOM 0 HA GLU A 93 -0.126 11.041 5.340 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -1.474 13.081 3.683 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -2.561 11.867 4.328 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -2.281 13.888 5.791 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -1.944 12.365 6.590 1.00 0.00 H new ATOM 1446 N TYR A 94 -0.660 9.727 2.494 1.00 0.00 N ATOM 1447 CA TYR A 94 -1.033 8.476 1.849 1.00 0.00 C ATOM 1448 C TYR A 94 -0.073 7.366 2.260 1.00 0.00 C ATOM 1449 O TYR A 94 -0.363 6.185 2.082 1.00 0.00 O ATOM 1450 CB TYR A 94 -1.037 8.629 0.323 1.00 0.00 C ATOM 1451 CG TYR A 94 -2.309 9.225 -0.240 1.00 0.00 C ATOM 1452 CD1 TYR A 94 -2.695 10.522 0.068 1.00 0.00 C ATOM 1453 CD2 TYR A 94 -3.123 8.481 -1.084 1.00 0.00 C ATOM 1454 CE1 TYR A 94 -3.860 11.061 -0.447 1.00 0.00 C ATOM 1455 CE2 TYR A 94 -4.286 9.013 -1.605 1.00 0.00 C ATOM 1456 CZ TYR A 94 -4.652 10.301 -1.281 1.00 0.00 C ATOM 1457 OH TYR A 94 -5.814 10.829 -1.793 1.00 0.00 O ATOM 0 H TYR A 94 -0.095 10.350 1.917 1.00 0.00 H new ATOM 0 HA TYR A 94 -2.041 8.213 2.171 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -0.195 9.256 0.030 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -0.877 7.650 -0.129 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -2.076 11.120 0.720 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -2.842 7.469 -1.337 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -4.148 12.072 -0.197 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -4.906 8.422 -2.263 1.00 0.00 H new ATOM 0 HH TYR A 94 -6.253 10.163 -2.363 1.00 0.00 H new ATOM 1467 N ILE A 95 1.068 7.757 2.814 1.00 0.00 N ATOM 1468 CA ILE A 95 2.053 6.803 3.300 1.00 0.00 C ATOM 1469 C ILE A 95 1.674 6.356 4.708 1.00 0.00 C ATOM 1470 O ILE A 95 1.599 7.181 5.623 1.00 0.00 O ATOM 1471 CB ILE A 95 3.473 7.415 3.328 1.00 0.00 C ATOM 1472 CG1 ILE A 95 3.789 8.098 1.994 1.00 0.00 C ATOM 1473 CG2 ILE A 95 4.509 6.340 3.637 1.00 0.00 C ATOM 1474 CD1 ILE A 95 5.135 8.792 1.967 1.00 0.00 C ATOM 0 H ILE A 95 1.334 8.734 2.938 1.00 0.00 H new ATOM 0 HA ILE A 95 2.061 5.952 2.619 1.00 0.00 H new ATOM 0 HB ILE A 95 3.510 8.167 4.116 1.00 0.00 H new ATOM 0 HG12 ILE A 95 3.759 7.353 1.199 1.00 0.00 H new ATOM 0 HG13 ILE A 95 3.010 8.828 1.777 1.00 0.00 H new ATOM 0 HG21 ILE A 95 5.503 6.787 3.653 1.00 0.00 H new ATOM 0 HG22 ILE A 95 4.295 5.897 4.609 1.00 0.00 H new ATOM 0 HG23 ILE A 95 4.471 5.567 2.870 1.00 0.00 H new ATOM 0 HD11 ILE A 95 5.288 9.252 0.991 1.00 0.00 H new ATOM 0 HD12 ILE A 95 5.163 9.561 2.739 1.00 0.00 H new ATOM 0 HD13 ILE A 95 5.924 8.063 2.152 1.00 0.00 H new ATOM 1486 N PRO A 96 1.422 5.054 4.898 1.00 0.00 N ATOM 1487 CA PRO A 96 0.976 4.518 6.186 1.00 0.00 C ATOM 1488 C PRO A 96 2.007 4.726 7.294 1.00 0.00 C ATOM 1489 O PRO A 96 3.211 4.829 7.030 1.00 0.00 O ATOM 1490 CB PRO A 96 0.779 3.020 5.911 1.00 0.00 C ATOM 1491 CG PRO A 96 1.584 2.738 4.690 1.00 0.00 C ATOM 1492 CD PRO A 96 1.561 4.000 3.879 1.00 0.00 C ATOM 0 HA PRO A 96 0.075 5.019 6.539 1.00 0.00 H new ATOM 0 HB2 PRO A 96 1.117 2.417 6.754 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -0.273 2.784 5.752 1.00 0.00 H new ATOM 0 HG2 PRO A 96 2.605 2.461 4.951 1.00 0.00 H new ATOM 0 HG3 PRO A 96 1.162 1.905 4.128 1.00 0.00 H new ATOM 0 HD2 PRO A 96 2.475 4.121 3.297 1.00 0.00 H new ATOM 0 HD3 PRO A 96 0.730 4.010 3.174 1.00 0.00 H new ATOM 1500 N PRO A 97 1.545 4.798 8.554 1.00 0.00 N ATOM 1501 CA PRO A 97 2.429 4.941 9.712 1.00 0.00 C ATOM 1502 C PRO A 97 3.376 3.753 9.846 1.00 0.00 C ATOM 1503 O PRO A 97 3.095 2.673 9.325 1.00 0.00 O ATOM 1504 CB PRO A 97 1.467 4.998 10.907 1.00 0.00 C ATOM 1505 CG PRO A 97 0.141 5.349 10.325 1.00 0.00 C ATOM 1506 CD PRO A 97 0.128 4.753 8.948 1.00 0.00 C ATOM 0 HA PRO A 97 3.068 5.821 9.633 1.00 0.00 H new ATOM 0 HB2 PRO A 97 1.428 4.041 11.427 1.00 0.00 H new ATOM 0 HB3 PRO A 97 1.787 5.743 11.635 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -0.671 4.948 10.932 1.00 0.00 H new ATOM 0 HG3 PRO A 97 0.005 6.430 10.285 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -0.257 3.733 8.953 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -0.499 5.327 8.266 1.00 0.00 H new ATOM 1514 N SER A 98 4.502 3.973 10.529 1.00 0.00 N ATOM 1515 CA SER A 98 5.536 2.949 10.734 1.00 0.00 C ATOM 1516 C SER A 98 6.351 2.722 9.458 1.00 0.00 C ATOM 1517 O SER A 98 7.577 2.622 9.504 1.00 0.00 O ATOM 1518 CB SER A 98 4.923 1.633 11.224 1.00 0.00 C ATOM 1519 OG SER A 98 4.116 1.847 12.372 1.00 0.00 O ATOM 0 H SER A 98 4.726 4.871 10.959 1.00 0.00 H new ATOM 0 HA SER A 98 6.212 3.316 11.506 1.00 0.00 H new ATOM 0 HB2 SER A 98 4.323 1.189 10.430 1.00 0.00 H new ATOM 0 HB3 SER A 98 5.716 0.923 11.459 1.00 0.00 H new ATOM 0 HG SER A 98 3.734 0.994 12.667 1.00 0.00 H new ATOM 1525 N PHE A 99 5.674 2.666 8.317 1.00 0.00 N ATOM 1526 CA PHE A 99 6.346 2.496 7.033 1.00 0.00 C ATOM 1527 C PHE A 99 6.999 3.802 6.591 1.00 0.00 C ATOM 1528 O PHE A 99 7.758 3.836 5.626 1.00 0.00 O ATOM 1529 CB PHE A 99 5.359 1.998 5.978 1.00 0.00 C ATOM 1530 CG PHE A 99 4.807 0.640 6.300 1.00 0.00 C ATOM 1531 CD1 PHE A 99 5.513 -0.504 5.966 1.00 0.00 C ATOM 1532 CD2 PHE A 99 3.588 0.507 6.945 1.00 0.00 C ATOM 1533 CE1 PHE A 99 5.012 -1.755 6.268 1.00 0.00 C ATOM 1534 CE2 PHE A 99 3.082 -0.741 7.249 1.00 0.00 C ATOM 1535 CZ PHE A 99 3.794 -1.874 6.911 1.00 0.00 C ATOM 0 H PHE A 99 4.658 2.736 8.254 1.00 0.00 H new ATOM 0 HA PHE A 99 7.130 1.748 7.149 1.00 0.00 H new ATOM 0 HB2 PHE A 99 4.537 2.709 5.890 1.00 0.00 H new ATOM 0 HB3 PHE A 99 5.856 1.964 5.008 1.00 0.00 H new ATOM 0 HD1 PHE A 99 6.465 -0.417 5.464 1.00 0.00 H new ATOM 0 HD2 PHE A 99 3.027 1.390 7.213 1.00 0.00 H new ATOM 0 HE1 PHE A 99 5.571 -2.640 6.002 1.00 0.00 H new ATOM 0 HE2 PHE A 99 2.130 -0.831 7.751 1.00 0.00 H new ATOM 0 HZ PHE A 99 3.400 -2.851 7.148 1.00 0.00 H new ATOM 1545 N ARG A 100 6.699 4.871 7.322 1.00 0.00 N ATOM 1546 CA ARG A 100 7.347 6.158 7.109 1.00 0.00 C ATOM 1547 C ARG A 100 8.765 6.130 7.676 1.00 0.00 C ATOM 1548 O ARG A 100 9.587 6.993 7.372 1.00 0.00 O ATOM 1549 CB ARG A 100 6.547 7.285 7.772 1.00 0.00 C ATOM 1550 CG ARG A 100 5.154 7.488 7.194 1.00 0.00 C ATOM 1551 CD ARG A 100 4.418 8.609 7.912 1.00 0.00 C ATOM 1552 NE ARG A 100 3.102 8.875 7.331 1.00 0.00 N ATOM 1553 CZ ARG A 100 2.447 10.030 7.466 1.00 0.00 C ATOM 1554 NH1 ARG A 100 2.979 11.025 8.165 1.00 0.00 N ATOM 1555 NH2 ARG A 100 1.256 10.190 6.911 1.00 0.00 N ATOM 0 H ARG A 100 6.007 4.869 8.071 1.00 0.00 H new ATOM 0 HA ARG A 100 7.390 6.346 6.036 1.00 0.00 H new ATOM 0 HB2 ARG A 100 6.458 7.073 8.838 1.00 0.00 H new ATOM 0 HB3 ARG A 100 7.106 8.216 7.677 1.00 0.00 H new ATOM 0 HG2 ARG A 100 5.229 7.721 6.132 1.00 0.00 H new ATOM 0 HG3 ARG A 100 4.584 6.563 7.279 1.00 0.00 H new ATOM 0 HD2 ARG A 100 4.302 8.348 8.964 1.00 0.00 H new ATOM 0 HD3 ARG A 100 5.019 9.517 7.874 1.00 0.00 H new ATOM 0 HE ARG A 100 2.658 8.133 6.790 1.00 0.00 H new ATOM 0 HH11 ARG A 100 3.893 10.909 8.602 1.00 0.00 H new ATOM 0 HH12 ARG A 100 2.474 11.905 8.265 1.00 0.00 H new ATOM 0 HH21 ARG A 100 0.835 9.429 6.378 1.00 0.00 H new ATOM 0 HH22 ARG A 100 0.759 11.074 7.017 1.00 0.00 H new ATOM 1569 N ARG A 101 9.040 5.129 8.505 1.00 0.00 N ATOM 1570 CA ARG A 101 10.344 4.988 9.135 1.00 0.00 C ATOM 1571 C ARG A 101 11.221 4.039 8.325 1.00 0.00 C ATOM 1572 O ARG A 101 11.111 2.817 8.449 1.00 0.00 O ATOM 1573 CB ARG A 101 10.185 4.458 10.564 1.00 0.00 C ATOM 1574 CG ARG A 101 9.361 5.364 11.465 1.00 0.00 C ATOM 1575 CD ARG A 101 10.093 6.658 11.788 1.00 0.00 C ATOM 1576 NE ARG A 101 11.281 6.419 12.606 1.00 0.00 N ATOM 1577 CZ ARG A 101 12.074 7.386 13.071 1.00 0.00 C ATOM 1578 NH1 ARG A 101 11.784 8.659 12.832 1.00 0.00 N ATOM 1579 NH2 ARG A 101 13.145 7.077 13.793 1.00 0.00 N ATOM 0 H ARG A 101 8.372 4.400 8.756 1.00 0.00 H new ATOM 0 HA ARG A 101 10.822 5.967 9.170 1.00 0.00 H new ATOM 0 HB2 ARG A 101 9.717 3.474 10.527 1.00 0.00 H new ATOM 0 HB3 ARG A 101 11.173 4.324 11.004 1.00 0.00 H new ATOM 0 HG2 ARG A 101 8.413 5.594 10.979 1.00 0.00 H new ATOM 0 HG3 ARG A 101 9.126 4.839 12.391 1.00 0.00 H new ATOM 0 HD2 ARG A 101 10.383 7.153 10.861 1.00 0.00 H new ATOM 0 HD3 ARG A 101 9.420 7.335 12.314 1.00 0.00 H new ATOM 0 HE ARG A 101 11.518 5.454 12.835 1.00 0.00 H new ATOM 0 HH11 ARG A 101 10.953 8.900 12.292 1.00 0.00 H new ATOM 0 HH12 ARG A 101 12.392 9.396 13.189 1.00 0.00 H new ATOM 0 HH21 ARG A 101 13.361 6.100 13.992 1.00 0.00 H new ATOM 0 HH22 ARG A 101 13.751 7.816 14.148 1.00 0.00 H new ATOM 1593 N VAL A 102 12.065 4.598 7.470 1.00 0.00 N ATOM 1594 CA VAL A 102 12.950 3.790 6.643 1.00 0.00 C ATOM 1595 C VAL A 102 14.410 4.191 6.851 1.00 0.00 C ATOM 1596 O VAL A 102 15.026 4.800 5.972 1.00 0.00 O ATOM 1597 CB VAL A 102 12.596 3.894 5.140 1.00 0.00 C ATOM 1598 CG1 VAL A 102 13.346 2.844 4.333 1.00 0.00 C ATOM 1599 CG2 VAL A 102 11.095 3.762 4.921 1.00 0.00 C ATOM 0 H VAL A 102 12.156 5.604 7.331 1.00 0.00 H new ATOM 0 HA VAL A 102 12.811 2.755 6.956 1.00 0.00 H new ATOM 0 HB VAL A 102 12.905 4.880 4.793 1.00 0.00 H new ATOM 0 HG11 VAL A 102 13.081 2.937 3.280 1.00 0.00 H new ATOM 0 HG12 VAL A 102 14.419 2.992 4.452 1.00 0.00 H new ATOM 0 HG13 VAL A 102 13.076 1.850 4.689 1.00 0.00 H new ATOM 0 HG21 VAL A 102 10.875 3.839 3.856 1.00 0.00 H new ATOM 0 HG22 VAL A 102 10.757 2.795 5.293 1.00 0.00 H new ATOM 0 HG23 VAL A 102 10.578 4.558 5.457 1.00 0.00 H new ATOM 1609 N ARG A 103 14.929 3.863 8.038 1.00 0.00 N ATOM 1610 CA ARG A 103 16.340 4.066 8.393 1.00 0.00 C ATOM 1611 C ARG A 103 16.877 5.402 7.881 1.00 0.00 C ATOM 1612 O ARG A 103 17.731 5.441 6.988 1.00 0.00 O ATOM 1613 CB ARG A 103 17.186 2.914 7.844 1.00 0.00 C ATOM 1614 CG ARG A 103 16.594 1.542 8.130 1.00 0.00 C ATOM 1615 CD ARG A 103 17.513 0.419 7.673 1.00 0.00 C ATOM 1616 NE ARG A 103 18.739 0.362 8.465 1.00 0.00 N ATOM 1617 CZ ARG A 103 18.884 -0.389 9.553 1.00 0.00 C ATOM 1618 NH1 ARG A 103 17.885 -1.157 9.977 1.00 0.00 N ATOM 1619 NH2 ARG A 103 20.038 -0.382 10.205 1.00 0.00 N ATOM 0 H ARG A 103 14.378 3.445 8.788 1.00 0.00 H new ATOM 0 HA ARG A 103 16.406 4.085 9.481 1.00 0.00 H new ATOM 0 HB2 ARG A 103 17.298 3.036 6.767 1.00 0.00 H new ATOM 0 HB3 ARG A 103 18.185 2.968 8.276 1.00 0.00 H new ATOM 0 HG2 ARG A 103 16.406 1.444 9.199 1.00 0.00 H new ATOM 0 HG3 ARG A 103 15.631 1.450 7.627 1.00 0.00 H new ATOM 0 HD2 ARG A 103 16.988 -0.533 7.748 1.00 0.00 H new ATOM 0 HD3 ARG A 103 17.766 0.562 6.622 1.00 0.00 H new ATOM 0 HE ARG A 103 19.530 0.932 8.166 1.00 0.00 H new ATOM 0 HH11 ARG A 103 17.002 -1.172 9.467 1.00 0.00 H new ATOM 0 HH12 ARG A 103 18.002 -1.731 10.812 1.00 0.00 H new ATOM 0 HH21 ARG A 103 20.809 0.197 9.872 1.00 0.00 H new ATOM 0 HH22 ARG A 103 20.155 -0.956 11.040 1.00 0.00 H new ATOM 1633 N LEU A 104 16.373 6.493 8.436 1.00 0.00 N ATOM 1634 CA LEU A 104 16.720 7.815 7.943 1.00 0.00 C ATOM 1635 C LEU A 104 17.305 8.679 9.053 1.00 0.00 C ATOM 1636 O LEU A 104 16.577 9.221 9.887 1.00 0.00 O ATOM 1637 CB LEU A 104 15.480 8.487 7.326 1.00 0.00 C ATOM 1638 CG LEU A 104 15.739 9.730 6.455 1.00 0.00 C ATOM 1639 CD1 LEU A 104 14.558 9.966 5.523 1.00 0.00 C ATOM 1640 CD2 LEU A 104 15.975 10.971 7.309 1.00 0.00 C ATOM 0 H LEU A 104 15.726 6.489 9.224 1.00 0.00 H new ATOM 0 HA LEU A 104 17.483 7.707 7.172 1.00 0.00 H new ATOM 0 HB2 LEU A 104 14.956 7.748 6.720 1.00 0.00 H new ATOM 0 HB3 LEU A 104 14.807 8.771 8.135 1.00 0.00 H new ATOM 0 HG LEU A 104 16.639 9.546 5.869 1.00 0.00 H new ATOM 0 HD11 LEU A 104 14.749 10.847 4.910 1.00 0.00 H new ATOM 0 HD12 LEU A 104 14.424 9.097 4.878 1.00 0.00 H new ATOM 0 HD13 LEU A 104 13.655 10.123 6.113 1.00 0.00 H new ATOM 0 HD21 LEU A 104 16.154 11.829 6.662 1.00 0.00 H new ATOM 0 HD22 LEU A 104 15.097 11.160 7.927 1.00 0.00 H new ATOM 0 HD23 LEU A 104 16.842 10.812 7.950 1.00 0.00 H new ATOM 1652 N GLU A 105 18.626 8.774 9.069 1.00 0.00 N ATOM 1653 CA GLU A 105 19.328 9.701 9.947 1.00 0.00 C ATOM 1654 C GLU A 105 20.693 10.010 9.346 1.00 0.00 C ATOM 1655 O GLU A 105 21.003 11.155 9.022 1.00 0.00 O ATOM 1656 CB GLU A 105 19.494 9.108 11.354 1.00 0.00 C ATOM 1657 CG GLU A 105 19.596 10.148 12.469 1.00 0.00 C ATOM 1658 CD GLU A 105 20.662 11.200 12.223 1.00 0.00 C ATOM 1659 OE1 GLU A 105 21.857 10.912 12.443 1.00 0.00 O ATOM 1660 OE2 GLU A 105 20.311 12.321 11.804 1.00 0.00 O ATOM 0 H GLU A 105 19.240 8.214 8.477 1.00 0.00 H new ATOM 0 HA GLU A 105 18.744 10.617 10.038 1.00 0.00 H new ATOM 0 HB2 GLU A 105 18.648 8.453 11.561 1.00 0.00 H new ATOM 0 HB3 GLU A 105 20.390 8.487 11.370 1.00 0.00 H new ATOM 0 HG2 GLU A 105 18.631 10.641 12.584 1.00 0.00 H new ATOM 0 HG3 GLU A 105 19.809 9.640 13.410 1.00 0.00 H new ATOM 1667 N HIS A 106 21.496 8.969 9.173 1.00 0.00 N ATOM 1668 CA HIS A 106 22.840 9.122 8.640 1.00 0.00 C ATOM 1669 C HIS A 106 22.881 8.744 7.167 1.00 0.00 C ATOM 1670 O HIS A 106 22.831 7.566 6.818 1.00 0.00 O ATOM 1671 CB HIS A 106 23.838 8.258 9.417 1.00 0.00 C ATOM 1672 CG HIS A 106 24.090 8.716 10.820 1.00 0.00 C ATOM 1673 ND1 HIS A 106 24.968 9.729 11.135 1.00 0.00 N ATOM 1674 CD2 HIS A 106 23.591 8.275 11.997 1.00 0.00 C ATOM 1675 CE1 HIS A 106 25.002 9.886 12.443 1.00 0.00 C ATOM 1676 NE2 HIS A 106 24.176 9.018 12.991 1.00 0.00 N ATOM 0 H HIS A 106 21.238 8.008 9.395 1.00 0.00 H new ATOM 0 HA HIS A 106 23.121 10.170 8.748 1.00 0.00 H new ATOM 0 HB2 HIS A 106 23.469 7.233 9.443 1.00 0.00 H new ATOM 0 HB3 HIS A 106 24.785 8.243 8.877 1.00 0.00 H new ATOM 0 HD2 HIS A 106 22.867 7.485 12.130 1.00 0.00 H new ATOM 0 HE1 HIS A 106 25.606 10.605 12.976 1.00 0.00 H new ATOM 0 HE2 HIS A 106 24.000 8.915 13.990 1.00 0.00 H new ATOM 1685 N HIS A 107 22.954 9.747 6.305 1.00 0.00 N ATOM 1686 CA HIS A 107 23.095 9.524 4.870 1.00 0.00 C ATOM 1687 C HIS A 107 24.544 9.732 4.454 1.00 0.00 C ATOM 1688 O HIS A 107 24.841 9.956 3.281 1.00 0.00 O ATOM 1689 CB HIS A 107 22.178 10.465 4.081 1.00 0.00 C ATOM 1690 CG HIS A 107 20.750 10.012 4.001 1.00 0.00 C ATOM 1691 ND1 HIS A 107 19.897 10.401 2.994 1.00 0.00 N ATOM 1692 CD2 HIS A 107 20.025 9.197 4.807 1.00 0.00 C ATOM 1693 CE1 HIS A 107 18.715 9.845 3.179 1.00 0.00 C ATOM 1694 NE2 HIS A 107 18.761 9.107 4.272 1.00 0.00 N ATOM 0 H HIS A 107 22.918 10.730 6.575 1.00 0.00 H new ATOM 0 HA HIS A 107 22.803 8.498 4.648 1.00 0.00 H new ATOM 0 HB2 HIS A 107 22.208 11.453 4.541 1.00 0.00 H new ATOM 0 HB3 HIS A 107 22.570 10.572 3.070 1.00 0.00 H new ATOM 0 HD1 HIS A 107 20.141 11.023 2.223 1.00 0.00 H new ATOM 0 HD2 HIS A 107 20.376 8.708 5.704 1.00 0.00 H new ATOM 0 HE1 HIS A 107 17.853 9.973 2.542 1.00 0.00 H new ATOM 1703 N HIS A 108 25.435 9.642 5.440 1.00 0.00 N ATOM 1704 CA HIS A 108 26.874 9.815 5.239 1.00 0.00 C ATOM 1705 C HIS A 108 27.200 11.260 4.895 1.00 0.00 C ATOM 1706 O HIS A 108 27.220 11.653 3.728 1.00 0.00 O ATOM 1707 CB HIS A 108 27.426 8.873 4.159 1.00 0.00 C ATOM 1708 CG HIS A 108 27.300 7.418 4.499 1.00 0.00 C ATOM 1709 ND1 HIS A 108 27.736 6.406 3.670 1.00 0.00 N ATOM 1710 CD2 HIS A 108 26.770 6.807 5.583 1.00 0.00 C ATOM 1711 CE1 HIS A 108 27.474 5.240 4.229 1.00 0.00 C ATOM 1712 NE2 HIS A 108 26.888 5.456 5.390 1.00 0.00 N ATOM 0 H HIS A 108 25.178 9.446 6.407 1.00 0.00 H new ATOM 0 HA HIS A 108 27.360 9.556 6.179 1.00 0.00 H new ATOM 0 HB2 HIS A 108 26.902 9.064 3.222 1.00 0.00 H new ATOM 0 HB3 HIS A 108 28.477 9.107 3.990 1.00 0.00 H new ATOM 0 HD2 HIS A 108 26.334 7.294 6.442 1.00 0.00 H new ATOM 0 HE1 HIS A 108 27.701 4.272 3.807 1.00 0.00 H new ATOM 0 HE2 HIS A 108 26.574 4.735 6.039 1.00 0.00 H new ATOM 1721 N HIS A 109 27.441 12.047 5.927 1.00 0.00 N ATOM 1722 CA HIS A 109 27.765 13.452 5.759 1.00 0.00 C ATOM 1723 C HIS A 109 29.133 13.714 6.369 1.00 0.00 C ATOM 1724 O HIS A 109 29.269 13.814 7.588 1.00 0.00 O ATOM 1725 CB HIS A 109 26.698 14.331 6.422 1.00 0.00 C ATOM 1726 CG HIS A 109 26.535 15.675 5.778 1.00 0.00 C ATOM 1727 ND1 HIS A 109 27.089 16.834 6.276 1.00 0.00 N ATOM 1728 CD2 HIS A 109 25.849 16.039 4.667 1.00 0.00 C ATOM 1729 CE1 HIS A 109 26.752 17.850 5.502 1.00 0.00 C ATOM 1730 NE2 HIS A 109 25.999 17.394 4.519 1.00 0.00 N ATOM 0 H HIS A 109 27.418 11.734 6.898 1.00 0.00 H new ATOM 0 HA HIS A 109 27.787 13.700 4.698 1.00 0.00 H new ATOM 0 HB2 HIS A 109 25.742 13.808 6.396 1.00 0.00 H new ATOM 0 HB3 HIS A 109 26.957 14.470 7.472 1.00 0.00 H new ATOM 0 HD2 HIS A 109 25.288 15.383 4.018 1.00 0.00 H new ATOM 0 HE1 HIS A 109 27.043 18.880 5.649 1.00 0.00 H new ATOM 0 HE2 HIS A 109 25.595 17.957 3.771 1.00 0.00 H new ATOM 1739 N HIS A 110 30.146 13.797 5.517 1.00 0.00 N ATOM 1740 CA HIS A 110 31.525 13.862 5.984 1.00 0.00 C ATOM 1741 C HIS A 110 31.840 15.202 6.639 1.00 0.00 C ATOM 1742 O HIS A 110 31.683 16.264 6.033 1.00 0.00 O ATOM 1743 CB HIS A 110 32.514 13.596 4.841 1.00 0.00 C ATOM 1744 CG HIS A 110 33.948 13.676 5.273 1.00 0.00 C ATOM 1745 ND1 HIS A 110 34.874 14.501 4.676 1.00 0.00 N ATOM 1746 CD2 HIS A 110 34.605 13.045 6.276 1.00 0.00 C ATOM 1747 CE1 HIS A 110 36.033 14.377 5.294 1.00 0.00 C ATOM 1748 NE2 HIS A 110 35.899 13.500 6.272 1.00 0.00 N ATOM 0 H HIS A 110 30.040 13.821 4.503 1.00 0.00 H new ATOM 0 HA HIS A 110 31.638 13.080 6.735 1.00 0.00 H new ATOM 0 HB2 HIS A 110 32.321 12.607 4.424 1.00 0.00 H new ATOM 0 HB3 HIS A 110 32.340 14.318 4.043 1.00 0.00 H new ATOM 0 HD2 HIS A 110 34.186 12.317 6.955 1.00 0.00 H new ATOM 0 HE1 HIS A 110 36.941 14.905 5.042 1.00 0.00 H new ATOM 0 HE2 HIS A 110 36.634 13.210 6.916 1.00 0.00 H new ATOM 1757 N HIS A 111 32.281 15.131 7.883 1.00 0.00 N ATOM 1758 CA HIS A 111 32.773 16.293 8.597 1.00 0.00 C ATOM 1759 C HIS A 111 33.932 15.879 9.493 1.00 0.00 C ATOM 1760 O HIS A 111 35.094 16.025 9.067 1.00 0.00 O ATOM 1761 CB HIS A 111 31.657 16.934 9.425 1.00 0.00 C ATOM 1762 CG HIS A 111 32.051 18.242 10.043 1.00 0.00 C ATOM 1763 ND1 HIS A 111 31.997 19.435 9.359 1.00 0.00 N ATOM 1764 CD2 HIS A 111 32.514 18.538 11.279 1.00 0.00 C ATOM 1765 CE1 HIS A 111 32.412 20.410 10.147 1.00 0.00 C ATOM 1766 NE2 HIS A 111 32.731 19.893 11.318 1.00 0.00 N ATOM 1767 OXT HIS A 111 33.670 15.378 10.606 1.00 0.00 O ATOM 0 H HIS A 111 32.308 14.267 8.425 1.00 0.00 H new ATOM 0 HA HIS A 111 33.121 17.033 7.876 1.00 0.00 H new ATOM 0 HB2 HIS A 111 30.786 17.089 8.789 1.00 0.00 H new ATOM 0 HB3 HIS A 111 31.357 16.244 10.213 1.00 0.00 H new ATOM 0 HD2 HIS A 111 32.682 17.839 12.085 1.00 0.00 H new ATOM 0 HE1 HIS A 111 32.479 21.454 9.878 1.00 0.00 H new ATOM 0 HE2 HIS A 111 33.082 20.415 12.121 1.00 0.00 H new TER 1776 HIS A 111