USER MOD reduce.3.24.130724 H: found=0, std=0, add=723, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 721 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 14 LYS NZ :NH3+ -154:sc= -1.03 (180deg=-2.97!) USER MOD Set 1.2: A 49 GLN : amide:sc= 0 X(o=-1,f=-1.1) USER MOD Set 2.1: A 31 ASN : amide:sc= -0.668 X(o=-0.67,f=-1) USER MOD Set 2.2: A 33 SER OG : rot 180:sc=-0.00586 USER MOD Set 3.1: A 5 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 20:sc= 0.148 USER MOD Single : A 6 SER OG : rot 82:sc= 0.128 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 GLN : amide:sc= -2.59 X(o=-2.6,f=-2.2) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= -0.0883 USER MOD Single : A 39 SER OG : rot 180:sc= -0.755 USER MOD Single : A 40 LYS NZ :NH3+ -163:sc= -0.0135 (180deg=-0.186) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 155:sc= -0.0288 (180deg=-0.509) USER MOD Single : A 58 ASN :FLIP amide:sc= 0 F(o=-0.51,f=0) USER MOD Single : A 60 CYS SG : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 THR OG1 : rot 62:sc= 0.966 USER MOD Single : A 77 THR OG1 : rot 77:sc= 1.12 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= -0.142 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 22.705 14.079 5.849 1.00 0.00 N ATOM 2 CA GLY A 1 21.673 14.152 4.832 1.00 0.00 C ATOM 3 C GLY A 1 20.557 15.106 5.206 1.00 0.00 C ATOM 4 O GLY A 1 19.756 14.819 6.096 1.00 0.00 O ATOM 0 H1 GLY A 1 23.445 13.414 5.546 1.00 0.00 H new ATOM 0 H2 GLY A 1 23.123 15.021 5.988 1.00 0.00 H new ATOM 0 H3 GLY A 1 22.289 13.749 6.743 1.00 0.00 H new ATOM 0 HA2 GLY A 1 22.118 14.470 3.889 1.00 0.00 H new ATOM 0 HA3 GLY A 1 21.257 13.158 4.669 1.00 0.00 H new ATOM 8 N SER A 2 20.503 16.247 4.526 1.00 0.00 N ATOM 9 CA SER A 2 19.480 17.251 4.796 1.00 0.00 C ATOM 10 C SER A 2 18.107 16.759 4.352 1.00 0.00 C ATOM 11 O SER A 2 17.897 16.445 3.180 1.00 0.00 O ATOM 12 CB SER A 2 19.821 18.561 4.084 1.00 0.00 C ATOM 13 OG SER A 2 21.002 19.138 4.613 1.00 0.00 O ATOM 0 H SER A 2 21.156 16.499 3.784 1.00 0.00 H new ATOM 0 HA SER A 2 19.453 17.427 5.871 1.00 0.00 H new ATOM 0 HB2 SER A 2 19.949 18.376 3.018 1.00 0.00 H new ATOM 0 HB3 SER A 2 18.992 19.261 4.188 1.00 0.00 H new ATOM 0 HG SER A 2 21.199 19.973 4.139 1.00 0.00 H new ATOM 19 N SER A 3 17.173 16.696 5.296 1.00 0.00 N ATOM 20 CA SER A 3 15.820 16.239 5.004 1.00 0.00 C ATOM 21 C SER A 3 15.019 17.329 4.299 1.00 0.00 C ATOM 22 O SER A 3 14.981 18.475 4.746 1.00 0.00 O ATOM 23 CB SER A 3 15.110 15.822 6.294 1.00 0.00 C ATOM 24 OG SER A 3 14.989 16.916 7.185 1.00 0.00 O ATOM 0 H SER A 3 17.329 16.956 6.270 1.00 0.00 H new ATOM 0 HA SER A 3 15.889 15.377 4.341 1.00 0.00 H new ATOM 0 HB2 SER A 3 14.121 15.430 6.058 1.00 0.00 H new ATOM 0 HB3 SER A 3 15.666 15.017 6.775 1.00 0.00 H new ATOM 0 HG SER A 3 15.079 17.755 6.687 1.00 0.00 H new ATOM 30 N GLY A 4 14.378 16.963 3.193 1.00 0.00 N ATOM 31 CA GLY A 4 13.586 17.921 2.442 1.00 0.00 C ATOM 32 C GLY A 4 12.307 17.315 1.899 1.00 0.00 C ATOM 33 O GLY A 4 12.339 16.297 1.208 1.00 0.00 O ATOM 0 H GLY A 4 14.393 16.020 2.803 1.00 0.00 H new ATOM 0 HA2 GLY A 4 13.340 18.767 3.084 1.00 0.00 H new ATOM 0 HA3 GLY A 4 14.180 18.310 1.615 1.00 0.00 H new ATOM 37 N SER A 5 11.178 17.942 2.213 1.00 0.00 N ATOM 38 CA SER A 5 9.882 17.455 1.756 1.00 0.00 C ATOM 39 C SER A 5 9.963 16.962 0.315 1.00 0.00 C ATOM 40 O SER A 5 9.716 15.790 0.033 1.00 0.00 O ATOM 41 CB SER A 5 8.829 18.560 1.870 1.00 0.00 C ATOM 42 OG SER A 5 8.303 18.630 3.184 1.00 0.00 O ATOM 0 H SER A 5 11.135 18.788 2.782 1.00 0.00 H new ATOM 0 HA SER A 5 9.592 16.618 2.392 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.273 19.519 1.601 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.022 18.372 1.162 1.00 0.00 H new ATOM 0 HG SER A 5 7.634 19.345 3.231 1.00 0.00 H new ATOM 48 N SER A 6 10.312 17.867 -0.594 1.00 0.00 N ATOM 49 CA SER A 6 10.424 17.526 -2.008 1.00 0.00 C ATOM 50 C SER A 6 9.084 17.050 -2.559 1.00 0.00 C ATOM 51 O SER A 6 9.014 16.059 -3.285 1.00 0.00 O ATOM 52 CB SER A 6 11.485 16.444 -2.212 1.00 0.00 C ATOM 53 OG SER A 6 12.769 16.910 -1.834 1.00 0.00 O ATOM 0 H SER A 6 10.522 18.841 -0.377 1.00 0.00 H new ATOM 0 HA SER A 6 10.723 18.423 -2.550 1.00 0.00 H new ATOM 0 HB2 SER A 6 11.227 15.563 -1.625 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.500 16.137 -3.258 1.00 0.00 H new ATOM 0 HG SER A 6 12.873 16.831 -0.863 1.00 0.00 H new ATOM 59 N GLY A 7 8.018 17.766 -2.209 1.00 0.00 N ATOM 60 CA GLY A 7 6.694 17.402 -2.676 1.00 0.00 C ATOM 61 C GLY A 7 6.134 16.195 -1.951 1.00 0.00 C ATOM 62 O GLY A 7 5.878 15.158 -2.562 1.00 0.00 O ATOM 0 H GLY A 7 8.049 18.591 -1.610 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.020 18.248 -2.541 1.00 0.00 H new ATOM 0 HA3 GLY A 7 6.734 17.193 -3.745 1.00 0.00 H new ATOM 66 N SER A 8 5.944 16.329 -0.642 1.00 0.00 N ATOM 67 CA SER A 8 5.416 15.238 0.169 1.00 0.00 C ATOM 68 C SER A 8 4.338 14.470 -0.589 1.00 0.00 C ATOM 69 O SER A 8 4.141 13.274 -0.369 1.00 0.00 O ATOM 70 CB SER A 8 4.847 15.781 1.482 1.00 0.00 C ATOM 71 OG SER A 8 5.857 15.899 2.467 1.00 0.00 O ATOM 0 H SER A 8 6.148 17.182 -0.121 1.00 0.00 H new ATOM 0 HA SER A 8 6.234 14.553 0.392 1.00 0.00 H new ATOM 0 HB2 SER A 8 4.389 16.755 1.308 1.00 0.00 H new ATOM 0 HB3 SER A 8 4.060 15.119 1.842 1.00 0.00 H new ATOM 0 HG SER A 8 5.467 16.250 3.295 1.00 0.00 H new ATOM 77 N ILE A 9 3.642 15.167 -1.481 1.00 0.00 N ATOM 78 CA ILE A 9 2.583 14.551 -2.272 1.00 0.00 C ATOM 79 C ILE A 9 3.153 13.536 -3.257 1.00 0.00 C ATOM 80 O ILE A 9 2.665 12.409 -3.357 1.00 0.00 O ATOM 81 CB ILE A 9 1.775 15.607 -3.049 1.00 0.00 C ATOM 82 CG1 ILE A 9 1.129 16.601 -2.082 1.00 0.00 C ATOM 83 CG2 ILE A 9 0.717 14.934 -3.911 1.00 0.00 C ATOM 84 CD1 ILE A 9 -0.011 16.011 -1.282 1.00 0.00 C ATOM 0 H ILE A 9 3.792 16.157 -1.674 1.00 0.00 H new ATOM 0 HA ILE A 9 1.921 14.042 -1.572 1.00 0.00 H new ATOM 0 HB ILE A 9 2.454 16.155 -3.702 1.00 0.00 H new ATOM 0 HG12 ILE A 9 1.889 16.974 -1.396 1.00 0.00 H new ATOM 0 HG13 ILE A 9 0.761 17.458 -2.646 1.00 0.00 H new ATOM 0 HG21 ILE A 9 0.154 15.693 -4.454 1.00 0.00 H new ATOM 0 HG22 ILE A 9 1.199 14.262 -4.621 1.00 0.00 H new ATOM 0 HG23 ILE A 9 0.039 14.364 -3.276 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -0.421 16.772 -0.618 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -0.790 15.663 -1.961 1.00 0.00 H new ATOM 0 HD13 ILE A 9 0.356 15.172 -0.690 1.00 0.00 H new ATOM 96 N LEU A 10 4.189 13.942 -3.982 1.00 0.00 N ATOM 97 CA LEU A 10 4.829 13.068 -4.960 1.00 0.00 C ATOM 98 C LEU A 10 5.437 11.845 -4.281 1.00 0.00 C ATOM 99 O LEU A 10 5.814 10.877 -4.942 1.00 0.00 O ATOM 100 CB LEU A 10 5.911 13.831 -5.726 1.00 0.00 C ATOM 101 CG LEU A 10 5.418 14.757 -6.839 1.00 0.00 C ATOM 102 CD1 LEU A 10 6.475 15.798 -7.174 1.00 0.00 C ATOM 103 CD2 LEU A 10 5.047 13.953 -8.077 1.00 0.00 C ATOM 0 H LEU A 10 4.604 14.871 -3.912 1.00 0.00 H new ATOM 0 HA LEU A 10 4.067 12.730 -5.662 1.00 0.00 H new ATOM 0 HB2 LEU A 10 6.483 14.425 -5.013 1.00 0.00 H new ATOM 0 HB3 LEU A 10 6.599 13.107 -6.161 1.00 0.00 H new ATOM 0 HG LEU A 10 4.526 15.275 -6.486 1.00 0.00 H new ATOM 0 HD11 LEU A 10 6.107 16.448 -7.968 1.00 0.00 H new ATOM 0 HD12 LEU A 10 6.692 16.395 -6.288 1.00 0.00 H new ATOM 0 HD13 LEU A 10 7.385 15.299 -7.507 1.00 0.00 H new ATOM 0 HD21 LEU A 10 4.698 14.628 -8.858 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.921 13.408 -8.432 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.255 13.247 -7.828 1.00 0.00 H new ATOM 115 N LYS A 11 5.530 11.896 -2.955 1.00 0.00 N ATOM 116 CA LYS A 11 6.089 10.791 -2.185 1.00 0.00 C ATOM 117 C LYS A 11 5.029 9.731 -1.905 1.00 0.00 C ATOM 118 O LYS A 11 5.341 8.546 -1.781 1.00 0.00 O ATOM 119 CB LYS A 11 6.671 11.306 -0.867 1.00 0.00 C ATOM 120 CG LYS A 11 7.478 12.584 -1.017 1.00 0.00 C ATOM 121 CD LYS A 11 8.767 12.343 -1.785 1.00 0.00 C ATOM 122 CE LYS A 11 9.824 11.688 -0.908 1.00 0.00 C ATOM 123 NZ LYS A 11 11.192 11.847 -1.475 1.00 0.00 N ATOM 0 H LYS A 11 5.225 12.691 -2.393 1.00 0.00 H new ATOM 0 HA LYS A 11 6.885 10.336 -2.774 1.00 0.00 H new ATOM 0 HB2 LYS A 11 5.857 11.481 -0.164 1.00 0.00 H new ATOM 0 HB3 LYS A 11 7.306 10.534 -0.434 1.00 0.00 H new ATOM 0 HG2 LYS A 11 6.880 13.334 -1.534 1.00 0.00 H new ATOM 0 HG3 LYS A 11 7.711 12.986 -0.031 1.00 0.00 H new ATOM 0 HD2 LYS A 11 8.565 11.709 -2.648 1.00 0.00 H new ATOM 0 HD3 LYS A 11 9.146 13.290 -2.168 1.00 0.00 H new ATOM 0 HE2 LYS A 11 9.791 12.127 0.089 1.00 0.00 H new ATOM 0 HE3 LYS A 11 9.598 10.627 -0.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 11.883 11.387 -0.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 11.231 11.406 -2.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 11.418 12.859 -1.557 1.00 0.00 H new ATOM 137 N ILE A 12 3.777 10.165 -1.808 1.00 0.00 N ATOM 138 CA ILE A 12 2.671 9.251 -1.544 1.00 0.00 C ATOM 139 C ILE A 12 2.095 8.698 -2.843 1.00 0.00 C ATOM 140 O ILE A 12 1.649 7.553 -2.897 1.00 0.00 O ATOM 141 CB ILE A 12 1.547 9.943 -0.750 1.00 0.00 C ATOM 142 CG1 ILE A 12 2.134 10.752 0.408 1.00 0.00 C ATOM 143 CG2 ILE A 12 0.552 8.913 -0.234 1.00 0.00 C ATOM 144 CD1 ILE A 12 1.201 11.820 0.932 1.00 0.00 C ATOM 0 H ILE A 12 3.503 11.142 -1.908 1.00 0.00 H new ATOM 0 HA ILE A 12 3.073 8.431 -0.949 1.00 0.00 H new ATOM 0 HB ILE A 12 1.020 10.627 -1.415 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.390 10.073 1.222 1.00 0.00 H new ATOM 0 HG13 ILE A 12 3.062 11.221 0.080 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.236 9.417 0.325 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.114 8.377 -1.076 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.065 8.207 0.419 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.683 12.354 1.751 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.964 12.521 0.132 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.282 11.356 1.291 1.00 0.00 H new ATOM 156 N GLU A 13 2.108 9.520 -3.888 1.00 0.00 N ATOM 157 CA GLU A 13 1.587 9.112 -5.187 1.00 0.00 C ATOM 158 C GLU A 13 2.015 7.685 -5.522 1.00 0.00 C ATOM 159 O GLU A 13 1.230 6.896 -6.045 1.00 0.00 O ATOM 160 CB GLU A 13 2.069 10.070 -6.279 1.00 0.00 C ATOM 161 CG GLU A 13 1.135 11.246 -6.512 1.00 0.00 C ATOM 162 CD GLU A 13 1.235 11.799 -7.920 1.00 0.00 C ATOM 163 OE1 GLU A 13 0.545 11.270 -8.816 1.00 0.00 O ATOM 164 OE2 GLU A 13 2.002 12.763 -8.126 1.00 0.00 O ATOM 0 H GLU A 13 2.474 10.472 -3.860 1.00 0.00 H new ATOM 0 HA GLU A 13 0.499 9.145 -5.139 1.00 0.00 H new ATOM 0 HB2 GLU A 13 3.055 10.448 -6.010 1.00 0.00 H new ATOM 0 HB3 GLU A 13 2.183 9.517 -7.211 1.00 0.00 H new ATOM 0 HG2 GLU A 13 0.108 10.934 -6.320 1.00 0.00 H new ATOM 0 HG3 GLU A 13 1.366 12.036 -5.798 1.00 0.00 H new ATOM 171 N LYS A 14 3.267 7.364 -5.216 1.00 0.00 N ATOM 172 CA LYS A 14 3.803 6.034 -5.482 1.00 0.00 C ATOM 173 C LYS A 14 3.207 5.006 -4.525 1.00 0.00 C ATOM 174 O LYS A 14 2.693 3.972 -4.951 1.00 0.00 O ATOM 175 CB LYS A 14 5.328 6.041 -5.355 1.00 0.00 C ATOM 176 CG LYS A 14 6.036 6.630 -6.563 1.00 0.00 C ATOM 177 CD LYS A 14 6.240 8.129 -6.413 1.00 0.00 C ATOM 178 CE LYS A 14 7.527 8.444 -5.667 1.00 0.00 C ATOM 179 NZ LYS A 14 7.363 8.306 -4.194 1.00 0.00 N ATOM 0 H LYS A 14 3.930 8.007 -4.783 1.00 0.00 H new ATOM 0 HA LYS A 14 3.531 5.757 -6.501 1.00 0.00 H new ATOM 0 HB2 LYS A 14 5.608 6.609 -4.468 1.00 0.00 H new ATOM 0 HB3 LYS A 14 5.676 5.019 -5.203 1.00 0.00 H new ATOM 0 HG2 LYS A 14 7.002 6.142 -6.694 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.453 6.429 -7.462 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.266 8.594 -7.398 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.394 8.561 -5.879 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.317 7.776 -6.008 1.00 0.00 H new ATOM 0 HE3 LYS A 14 7.844 9.460 -5.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 8.052 8.916 -3.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 6.399 8.589 -3.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 7.523 7.316 -3.918 1.00 0.00 H new ATOM 193 N VAL A 15 3.280 5.299 -3.231 1.00 0.00 N ATOM 194 CA VAL A 15 2.746 4.400 -2.213 1.00 0.00 C ATOM 195 C VAL A 15 1.477 3.712 -2.700 1.00 0.00 C ATOM 196 O VAL A 15 1.254 2.531 -2.429 1.00 0.00 O ATOM 197 CB VAL A 15 2.438 5.154 -0.905 1.00 0.00 C ATOM 198 CG1 VAL A 15 1.817 4.216 0.118 1.00 0.00 C ATOM 199 CG2 VAL A 15 3.700 5.799 -0.352 1.00 0.00 C ATOM 0 H VAL A 15 3.703 6.151 -2.862 1.00 0.00 H new ATOM 0 HA VAL A 15 3.512 3.649 -2.020 1.00 0.00 H new ATOM 0 HB VAL A 15 1.719 5.944 -1.122 1.00 0.00 H new ATOM 0 HG11 VAL A 15 1.606 4.766 1.035 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.889 3.806 -0.281 1.00 0.00 H new ATOM 0 HG13 VAL A 15 2.510 3.403 0.334 1.00 0.00 H new ATOM 0 HG21 VAL A 15 3.464 6.327 0.572 1.00 0.00 H new ATOM 0 HG22 VAL A 15 4.444 5.028 -0.149 1.00 0.00 H new ATOM 0 HG23 VAL A 15 4.098 6.504 -1.082 1.00 0.00 H new ATOM 209 N LEU A 16 0.645 4.455 -3.421 1.00 0.00 N ATOM 210 CA LEU A 16 -0.603 3.916 -3.949 1.00 0.00 C ATOM 211 C LEU A 16 -0.410 3.373 -5.361 1.00 0.00 C ATOM 212 O LEU A 16 -0.931 2.313 -5.707 1.00 0.00 O ATOM 213 CB LEU A 16 -1.687 4.996 -3.950 1.00 0.00 C ATOM 214 CG LEU A 16 -1.949 5.687 -2.611 1.00 0.00 C ATOM 215 CD1 LEU A 16 -2.790 6.938 -2.811 1.00 0.00 C ATOM 216 CD2 LEU A 16 -2.631 4.732 -1.642 1.00 0.00 C ATOM 0 H LEU A 16 0.812 5.434 -3.654 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.916 3.095 -3.304 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.413 5.757 -4.681 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.619 4.546 -4.292 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.991 5.983 -2.184 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.966 7.416 -1.847 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.263 7.630 -3.468 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.745 6.666 -3.261 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.810 5.241 -0.695 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.582 4.404 -2.063 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.991 3.866 -1.474 1.00 0.00 H new ATOM 228 N LYS A 17 0.346 4.105 -6.172 1.00 0.00 N ATOM 229 CA LYS A 17 0.614 3.696 -7.546 1.00 0.00 C ATOM 230 C LYS A 17 0.816 2.187 -7.634 1.00 0.00 C ATOM 231 O LYS A 17 0.029 1.482 -8.267 1.00 0.00 O ATOM 232 CB LYS A 17 1.851 4.419 -8.083 1.00 0.00 C ATOM 233 CG LYS A 17 1.915 4.468 -9.600 1.00 0.00 C ATOM 234 CD LYS A 17 0.901 5.444 -10.171 1.00 0.00 C ATOM 235 CE LYS A 17 1.419 6.874 -10.128 1.00 0.00 C ATOM 236 NZ LYS A 17 2.173 7.228 -11.362 1.00 0.00 N ATOM 0 H LYS A 17 0.784 4.985 -5.901 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.249 3.966 -8.154 1.00 0.00 H new ATOM 0 HB2 LYS A 17 1.864 5.437 -7.694 1.00 0.00 H new ATOM 0 HB3 LYS A 17 2.745 3.922 -7.706 1.00 0.00 H new ATOM 0 HG2 LYS A 17 2.918 4.759 -9.913 1.00 0.00 H new ATOM 0 HG3 LYS A 17 1.731 3.473 -10.005 1.00 0.00 H new ATOM 0 HD2 LYS A 17 0.670 5.170 -11.201 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -0.029 5.376 -9.607 1.00 0.00 H new ATOM 0 HE2 LYS A 17 0.581 7.560 -10.005 1.00 0.00 H new ATOM 0 HE3 LYS A 17 2.065 7.000 -9.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 2.509 8.210 -11.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 2.987 6.590 -11.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 1.550 7.132 -12.189 1.00 0.00 H new ATOM 250 N ARG A 18 1.873 1.697 -6.996 1.00 0.00 N ATOM 251 CA ARG A 18 2.178 0.271 -7.004 1.00 0.00 C ATOM 252 C ARG A 18 1.060 -0.527 -6.338 1.00 0.00 C ATOM 253 O ARG A 18 0.583 -1.520 -6.886 1.00 0.00 O ATOM 254 CB ARG A 18 3.504 0.008 -6.287 1.00 0.00 C ATOM 255 CG ARG A 18 4.725 0.226 -7.166 1.00 0.00 C ATOM 256 CD ARG A 18 5.122 -1.049 -7.893 1.00 0.00 C ATOM 257 NE ARG A 18 6.231 -0.828 -8.818 1.00 0.00 N ATOM 258 CZ ARG A 18 6.095 -0.239 -10.001 1.00 0.00 C ATOM 259 NH1 ARG A 18 4.905 0.187 -10.400 1.00 0.00 N ATOM 260 NH2 ARG A 18 7.152 -0.075 -10.786 1.00 0.00 N ATOM 0 H ARG A 18 2.533 2.266 -6.467 1.00 0.00 H new ATOM 0 HA ARG A 18 2.263 -0.052 -8.042 1.00 0.00 H new ATOM 0 HB2 ARG A 18 3.572 0.660 -5.416 1.00 0.00 H new ATOM 0 HB3 ARG A 18 3.511 -1.018 -5.918 1.00 0.00 H new ATOM 0 HG2 ARG A 18 4.516 1.011 -7.893 1.00 0.00 H new ATOM 0 HG3 ARG A 18 5.558 0.572 -6.554 1.00 0.00 H new ATOM 0 HD2 ARG A 18 5.403 -1.809 -7.164 1.00 0.00 H new ATOM 0 HD3 ARG A 18 4.263 -1.436 -8.442 1.00 0.00 H new ATOM 0 HE ARG A 18 7.161 -1.143 -8.540 1.00 0.00 H new ATOM 0 HH11 ARG A 18 4.091 0.063 -9.798 1.00 0.00 H new ATOM 0 HH12 ARG A 18 4.803 0.639 -11.309 1.00 0.00 H new ATOM 0 HH21 ARG A 18 8.069 -0.401 -10.481 1.00 0.00 H new ATOM 0 HH22 ARG A 18 7.047 0.377 -11.694 1.00 0.00 H new ATOM 274 N MET A 19 0.649 -0.085 -5.154 1.00 0.00 N ATOM 275 CA MET A 19 -0.413 -0.757 -4.414 1.00 0.00 C ATOM 276 C MET A 19 -1.462 -1.325 -5.365 1.00 0.00 C ATOM 277 O MET A 19 -1.846 -2.491 -5.256 1.00 0.00 O ATOM 278 CB MET A 19 -1.071 0.211 -3.430 1.00 0.00 C ATOM 279 CG MET A 19 -2.191 -0.417 -2.617 1.00 0.00 C ATOM 280 SD MET A 19 -3.720 -0.590 -3.556 1.00 0.00 S ATOM 281 CE MET A 19 -4.422 1.046 -3.366 1.00 0.00 C ATOM 0 H MET A 19 1.035 0.735 -4.687 1.00 0.00 H new ATOM 0 HA MET A 19 0.032 -1.581 -3.857 1.00 0.00 H new ATOM 0 HB2 MET A 19 -0.312 0.597 -2.750 1.00 0.00 H new ATOM 0 HB3 MET A 19 -1.467 1.063 -3.982 1.00 0.00 H new ATOM 0 HG2 MET A 19 -1.873 -1.398 -2.265 1.00 0.00 H new ATOM 0 HG3 MET A 19 -2.379 0.193 -1.733 1.00 0.00 H new ATOM 0 HE1 MET A 19 -5.374 1.097 -3.894 1.00 0.00 H new ATOM 0 HE2 MET A 19 -4.582 1.253 -2.308 1.00 0.00 H new ATOM 0 HE3 MET A 19 -3.738 1.786 -3.781 1.00 0.00 H new ATOM 291 N ARG A 20 -1.921 -0.496 -6.296 1.00 0.00 N ATOM 292 CA ARG A 20 -2.927 -0.916 -7.265 1.00 0.00 C ATOM 293 C ARG A 20 -2.354 -1.950 -8.230 1.00 0.00 C ATOM 294 O ARG A 20 -2.932 -3.019 -8.422 1.00 0.00 O ATOM 295 CB ARG A 20 -3.449 0.291 -8.047 1.00 0.00 C ATOM 296 CG ARG A 20 -4.449 1.132 -7.270 1.00 0.00 C ATOM 297 CD ARG A 20 -5.863 0.593 -7.418 1.00 0.00 C ATOM 298 NE ARG A 20 -6.354 0.710 -8.790 1.00 0.00 N ATOM 299 CZ ARG A 20 -6.706 1.863 -9.348 1.00 0.00 C ATOM 300 NH1 ARG A 20 -6.623 2.991 -8.656 1.00 0.00 N ATOM 301 NH2 ARG A 20 -7.142 1.888 -10.601 1.00 0.00 N ATOM 0 H ARG A 20 -1.613 0.471 -6.400 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.753 -1.371 -6.718 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -2.606 0.919 -8.336 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.917 -0.058 -8.967 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -4.172 1.147 -6.216 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.412 2.162 -7.624 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -5.886 -0.453 -7.113 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -6.529 1.135 -6.747 1.00 0.00 H new ATOM 0 HE ARG A 20 -6.430 -0.140 -9.349 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.288 2.975 -7.693 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -6.894 3.875 -9.087 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -7.207 1.022 -11.136 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -7.412 2.773 -11.029 1.00 0.00 H new ATOM 315 N GLU A 21 -1.215 -1.623 -8.832 1.00 0.00 N ATOM 316 CA GLU A 21 -0.566 -2.524 -9.777 1.00 0.00 C ATOM 317 C GLU A 21 -0.383 -3.911 -9.169 1.00 0.00 C ATOM 318 O GLU A 21 -0.901 -4.901 -9.688 1.00 0.00 O ATOM 319 CB GLU A 21 0.791 -1.959 -10.205 1.00 0.00 C ATOM 320 CG GLU A 21 0.705 -0.975 -11.358 1.00 0.00 C ATOM 321 CD GLU A 21 0.822 -1.649 -12.711 1.00 0.00 C ATOM 322 OE1 GLU A 21 1.746 -2.469 -12.888 1.00 0.00 O ATOM 323 OE2 GLU A 21 -0.013 -1.356 -13.594 1.00 0.00 O ATOM 0 H GLU A 21 -0.723 -0.742 -8.682 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.207 -2.613 -10.654 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.255 -1.465 -9.351 1.00 0.00 H new ATOM 0 HB3 GLU A 21 1.445 -2.783 -10.490 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.243 -0.440 -11.304 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.496 -0.232 -11.257 1.00 0.00 H new ATOM 330 N ILE A 22 0.357 -3.975 -8.067 1.00 0.00 N ATOM 331 CA ILE A 22 0.608 -5.240 -7.388 1.00 0.00 C ATOM 332 C ILE A 22 -0.697 -5.965 -7.076 1.00 0.00 C ATOM 333 O ILE A 22 -0.796 -7.183 -7.226 1.00 0.00 O ATOM 334 CB ILE A 22 1.390 -5.030 -6.078 1.00 0.00 C ATOM 335 CG1 ILE A 22 2.811 -4.550 -6.380 1.00 0.00 C ATOM 336 CG2 ILE A 22 1.422 -6.317 -5.268 1.00 0.00 C ATOM 337 CD1 ILE A 22 3.470 -3.842 -5.216 1.00 0.00 C ATOM 0 H ILE A 22 0.793 -3.165 -7.626 1.00 0.00 H new ATOM 0 HA ILE A 22 1.206 -5.849 -8.066 1.00 0.00 H new ATOM 0 HB ILE A 22 0.884 -4.265 -5.488 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.422 -5.406 -6.667 1.00 0.00 H new ATOM 0 HG13 ILE A 22 2.784 -3.876 -7.236 1.00 0.00 H new ATOM 0 HG21 ILE A 22 1.978 -6.152 -4.345 1.00 0.00 H new ATOM 0 HG22 ILE A 22 0.403 -6.621 -5.028 1.00 0.00 H new ATOM 0 HG23 ILE A 22 1.908 -7.101 -5.849 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.474 -3.530 -5.502 1.00 0.00 H new ATOM 0 HD12 ILE A 22 2.882 -2.966 -4.943 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.529 -4.520 -4.364 1.00 0.00 H new ATOM 349 N LYS A 23 -1.700 -5.207 -6.643 1.00 0.00 N ATOM 350 CA LYS A 23 -3.002 -5.775 -6.313 1.00 0.00 C ATOM 351 C LYS A 23 -3.635 -6.432 -7.535 1.00 0.00 C ATOM 352 O LYS A 23 -4.037 -7.594 -7.488 1.00 0.00 O ATOM 353 CB LYS A 23 -3.931 -4.689 -5.765 1.00 0.00 C ATOM 354 CG LYS A 23 -5.355 -5.165 -5.538 1.00 0.00 C ATOM 355 CD LYS A 23 -6.201 -4.095 -4.869 1.00 0.00 C ATOM 356 CE LYS A 23 -7.587 -4.616 -4.524 1.00 0.00 C ATOM 357 NZ LYS A 23 -8.584 -3.513 -4.418 1.00 0.00 N ATOM 0 H LYS A 23 -1.636 -4.197 -6.513 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.854 -6.538 -5.549 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -3.526 -4.318 -4.823 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.944 -3.849 -6.460 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -5.804 -5.441 -6.492 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -5.345 -6.062 -4.919 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.704 -3.751 -3.962 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -6.289 -3.233 -5.530 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -7.909 -5.325 -5.287 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -7.546 -5.160 -3.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -9.516 -3.909 -4.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -8.290 -2.850 -3.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -8.642 -3.009 -5.326 1.00 0.00 H new ATOM 371 N ASN A 24 -3.717 -5.681 -8.629 1.00 0.00 N ATOM 372 CA ASN A 24 -4.301 -6.191 -9.864 1.00 0.00 C ATOM 373 C ASN A 24 -3.615 -7.484 -10.296 1.00 0.00 C ATOM 374 O ASN A 24 -4.272 -8.493 -10.546 1.00 0.00 O ATOM 375 CB ASN A 24 -4.190 -5.145 -10.975 1.00 0.00 C ATOM 376 CG ASN A 24 -4.909 -5.568 -12.241 1.00 0.00 C ATOM 377 OD1 ASN A 24 -4.290 -6.055 -13.187 1.00 0.00 O ATOM 378 ND2 ASN A 24 -6.224 -5.384 -12.264 1.00 0.00 N ATOM 0 H ASN A 24 -3.386 -4.718 -8.685 1.00 0.00 H new ATOM 0 HA ASN A 24 -5.354 -6.403 -9.679 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -4.604 -4.200 -10.623 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -3.138 -4.968 -11.200 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -6.762 -5.650 -13.089 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -6.696 -4.977 -11.457 1.00 0.00 H new ATOM 385 N GLU A 25 -2.289 -7.444 -10.381 1.00 0.00 N ATOM 386 CA GLU A 25 -1.514 -8.611 -10.784 1.00 0.00 C ATOM 387 C GLU A 25 -1.844 -9.813 -9.902 1.00 0.00 C ATOM 388 O GLU A 25 -1.722 -10.963 -10.329 1.00 0.00 O ATOM 389 CB GLU A 25 -0.016 -8.307 -10.710 1.00 0.00 C ATOM 390 CG GLU A 25 0.855 -9.378 -11.346 1.00 0.00 C ATOM 391 CD GLU A 25 0.942 -9.240 -12.854 1.00 0.00 C ATOM 392 OE1 GLU A 25 0.883 -8.095 -13.349 1.00 0.00 O ATOM 393 OE2 GLU A 25 1.068 -10.276 -13.539 1.00 0.00 O ATOM 0 H GLU A 25 -1.729 -6.616 -10.176 1.00 0.00 H new ATOM 0 HA GLU A 25 -1.778 -8.853 -11.814 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.177 -7.354 -11.202 1.00 0.00 H new ATOM 0 HB3 GLU A 25 0.271 -8.190 -9.665 1.00 0.00 H new ATOM 0 HG2 GLU A 25 1.858 -9.325 -10.922 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.455 -10.361 -11.097 1.00 0.00 H new ATOM 400 N LEU A 26 -2.261 -9.539 -8.672 1.00 0.00 N ATOM 401 CA LEU A 26 -2.609 -10.597 -7.729 1.00 0.00 C ATOM 402 C LEU A 26 -4.041 -11.072 -7.947 1.00 0.00 C ATOM 403 O LEU A 26 -4.340 -12.260 -7.817 1.00 0.00 O ATOM 404 CB LEU A 26 -2.436 -10.103 -6.291 1.00 0.00 C ATOM 405 CG LEU A 26 -3.244 -10.844 -5.225 1.00 0.00 C ATOM 406 CD1 LEU A 26 -2.740 -12.270 -5.069 1.00 0.00 C ATOM 407 CD2 LEU A 26 -3.179 -10.105 -3.897 1.00 0.00 C ATOM 0 H LEU A 26 -2.367 -8.594 -8.303 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.937 -11.438 -7.901 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.380 -10.170 -6.030 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.707 -9.048 -6.255 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.285 -10.882 -5.546 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.327 -12.782 -4.306 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.840 -12.797 -6.018 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.692 -12.255 -4.771 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.760 -10.647 -3.150 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.142 -10.036 -3.570 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.589 -9.102 -4.018 1.00 0.00 H new ATOM 419 N LEU A 27 -4.924 -10.137 -8.282 1.00 0.00 N ATOM 420 CA LEU A 27 -6.327 -10.460 -8.520 1.00 0.00 C ATOM 421 C LEU A 27 -6.476 -11.374 -9.732 1.00 0.00 C ATOM 422 O LEU A 27 -7.260 -12.322 -9.713 1.00 0.00 O ATOM 423 CB LEU A 27 -7.137 -9.180 -8.730 1.00 0.00 C ATOM 424 CG LEU A 27 -7.689 -8.520 -7.466 1.00 0.00 C ATOM 425 CD1 LEU A 27 -8.559 -7.324 -7.824 1.00 0.00 C ATOM 426 CD2 LEU A 27 -8.478 -9.527 -6.640 1.00 0.00 C ATOM 0 H LEU A 27 -4.693 -9.150 -8.395 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.708 -10.984 -7.643 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -6.508 -8.457 -9.248 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -7.973 -9.407 -9.392 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.849 -8.166 -6.868 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -8.943 -6.867 -6.912 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -7.965 -6.594 -8.373 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -9.393 -7.653 -8.444 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -8.864 -9.040 -5.744 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -9.310 -9.910 -7.231 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.826 -10.352 -6.353 1.00 0.00 H new ATOM 438 N GLN A 28 -5.716 -11.083 -10.783 1.00 0.00 N ATOM 439 CA GLN A 28 -5.764 -11.881 -12.004 1.00 0.00 C ATOM 440 C GLN A 28 -5.150 -13.258 -11.777 1.00 0.00 C ATOM 441 O GLN A 28 -5.745 -14.279 -12.125 1.00 0.00 O ATOM 442 CB GLN A 28 -5.029 -11.162 -13.136 1.00 0.00 C ATOM 443 CG GLN A 28 -3.549 -10.950 -12.863 1.00 0.00 C ATOM 444 CD GLN A 28 -2.875 -10.105 -13.926 1.00 0.00 C ATOM 445 OE1 GLN A 28 -3.538 -9.417 -14.703 1.00 0.00 O ATOM 446 NE2 GLN A 28 -1.548 -10.154 -13.968 1.00 0.00 N ATOM 0 H GLN A 28 -5.061 -10.302 -10.814 1.00 0.00 H new ATOM 0 HA GLN A 28 -6.809 -12.011 -12.284 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -5.142 -11.738 -14.054 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -5.501 -10.194 -13.307 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -3.428 -10.470 -11.892 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -3.052 -11.918 -12.805 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -1.038 -10.738 -13.305 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -1.039 -9.608 -14.663 1.00 0.00 H new ATOM 455 N ALA A 29 -3.957 -13.281 -11.193 1.00 0.00 N ATOM 456 CA ALA A 29 -3.263 -14.533 -10.920 1.00 0.00 C ATOM 457 C ALA A 29 -4.249 -15.638 -10.554 1.00 0.00 C ATOM 458 O ALA A 29 -5.232 -15.397 -9.853 1.00 0.00 O ATOM 459 CB ALA A 29 -2.246 -14.341 -9.805 1.00 0.00 C ATOM 0 H ALA A 29 -3.450 -12.446 -10.900 1.00 0.00 H new ATOM 0 HA ALA A 29 -2.739 -14.834 -11.827 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -1.735 -15.284 -9.612 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -1.517 -13.588 -10.104 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.756 -14.013 -8.900 1.00 0.00 H new ATOM 465 N GLN A 30 -3.979 -16.848 -11.032 1.00 0.00 N ATOM 466 CA GLN A 30 -4.845 -17.989 -10.755 1.00 0.00 C ATOM 467 C GLN A 30 -4.412 -18.703 -9.479 1.00 0.00 C ATOM 468 O GLN A 30 -5.246 -19.133 -8.684 1.00 0.00 O ATOM 469 CB GLN A 30 -4.828 -18.967 -11.931 1.00 0.00 C ATOM 470 CG GLN A 30 -5.654 -20.220 -11.693 1.00 0.00 C ATOM 471 CD GLN A 30 -5.979 -20.957 -12.977 1.00 0.00 C ATOM 472 OE1 GLN A 30 -5.147 -21.689 -13.514 1.00 0.00 O ATOM 473 NE2 GLN A 30 -7.195 -20.769 -13.477 1.00 0.00 N ATOM 0 H GLN A 30 -3.169 -17.064 -11.612 1.00 0.00 H new ATOM 0 HA GLN A 30 -5.860 -17.617 -10.616 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -5.202 -18.459 -12.820 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -3.797 -19.255 -12.138 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -5.111 -20.887 -11.023 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -6.582 -19.949 -11.189 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -7.853 -20.154 -12.999 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -7.471 -21.240 -14.339 1.00 0.00 H new ATOM 482 N ASN A 31 -3.103 -18.825 -9.289 1.00 0.00 N ATOM 483 CA ASN A 31 -2.559 -19.487 -8.109 1.00 0.00 C ATOM 484 C ASN A 31 -1.614 -18.560 -7.352 1.00 0.00 C ATOM 485 O ASN A 31 -0.407 -18.792 -7.276 1.00 0.00 O ATOM 486 CB ASN A 31 -1.823 -20.767 -8.511 1.00 0.00 C ATOM 487 CG ASN A 31 -1.041 -21.370 -7.360 1.00 0.00 C ATOM 488 OD1 ASN A 31 0.190 -21.342 -7.349 1.00 0.00 O ATOM 489 ND2 ASN A 31 -1.755 -21.920 -6.385 1.00 0.00 N ATOM 0 H ASN A 31 -2.398 -18.474 -9.938 1.00 0.00 H new ATOM 0 HA ASN A 31 -3.390 -19.744 -7.452 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -2.544 -21.497 -8.879 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -1.143 -20.548 -9.334 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -1.285 -22.342 -5.584 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -2.774 -21.920 -6.437 1.00 0.00 H new ATOM 496 N PRO A 32 -2.173 -17.486 -6.776 1.00 0.00 N ATOM 497 CA PRO A 32 -1.399 -16.503 -6.013 1.00 0.00 C ATOM 498 C PRO A 32 -0.890 -17.066 -4.691 1.00 0.00 C ATOM 499 O PRO A 32 -0.257 -16.360 -3.906 1.00 0.00 O ATOM 500 CB PRO A 32 -2.405 -15.377 -5.762 1.00 0.00 C ATOM 501 CG PRO A 32 -3.738 -16.039 -5.820 1.00 0.00 C ATOM 502 CD PRO A 32 -3.606 -17.148 -6.827 1.00 0.00 C ATOM 0 HA PRO A 32 -0.505 -16.183 -6.549 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -2.239 -14.906 -4.793 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -2.319 -14.594 -6.515 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -4.022 -16.431 -4.843 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -4.512 -15.332 -6.117 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -4.230 -18.003 -6.567 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -3.907 -16.824 -7.823 1.00 0.00 H new ATOM 510 N SER A 33 -1.169 -18.343 -4.450 1.00 0.00 N ATOM 511 CA SER A 33 -0.742 -19.001 -3.221 1.00 0.00 C ATOM 512 C SER A 33 0.622 -18.481 -2.774 1.00 0.00 C ATOM 513 O SER A 33 0.856 -18.270 -1.584 1.00 0.00 O ATOM 514 CB SER A 33 -0.681 -20.516 -3.423 1.00 0.00 C ATOM 515 OG SER A 33 0.318 -20.867 -4.365 1.00 0.00 O ATOM 0 H SER A 33 -1.689 -18.943 -5.090 1.00 0.00 H new ATOM 0 HA SER A 33 -1.472 -18.775 -2.444 1.00 0.00 H new ATOM 0 HB2 SER A 33 -0.475 -21.005 -2.471 1.00 0.00 H new ATOM 0 HB3 SER A 33 -1.650 -20.879 -3.764 1.00 0.00 H new ATOM 0 HG SER A 33 0.337 -21.841 -4.474 1.00 0.00 H new ATOM 521 N GLU A 34 1.516 -18.279 -3.735 1.00 0.00 N ATOM 522 CA GLU A 34 2.856 -17.785 -3.440 1.00 0.00 C ATOM 523 C GLU A 34 2.912 -16.265 -3.551 1.00 0.00 C ATOM 524 O GLU A 34 3.626 -15.602 -2.798 1.00 0.00 O ATOM 525 CB GLU A 34 3.877 -18.415 -4.391 1.00 0.00 C ATOM 526 CG GLU A 34 4.127 -19.890 -4.125 1.00 0.00 C ATOM 527 CD GLU A 34 4.905 -20.129 -2.846 1.00 0.00 C ATOM 528 OE1 GLU A 34 6.055 -19.649 -2.754 1.00 0.00 O ATOM 529 OE2 GLU A 34 4.366 -20.796 -1.939 1.00 0.00 O ATOM 0 H GLU A 34 1.337 -18.450 -4.725 1.00 0.00 H new ATOM 0 HA GLU A 34 3.102 -18.067 -2.416 1.00 0.00 H new ATOM 0 HB2 GLU A 34 3.529 -18.293 -5.417 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.820 -17.875 -4.308 1.00 0.00 H new ATOM 0 HG2 GLU A 34 3.172 -20.412 -4.068 1.00 0.00 H new ATOM 0 HG3 GLU A 34 4.675 -20.319 -4.964 1.00 0.00 H new ATOM 536 N LEU A 35 2.156 -15.718 -4.496 1.00 0.00 N ATOM 537 CA LEU A 35 2.118 -14.275 -4.706 1.00 0.00 C ATOM 538 C LEU A 35 1.731 -13.547 -3.424 1.00 0.00 C ATOM 539 O LEU A 35 2.070 -12.379 -3.234 1.00 0.00 O ATOM 540 CB LEU A 35 1.130 -13.928 -5.822 1.00 0.00 C ATOM 541 CG LEU A 35 1.594 -14.232 -7.247 1.00 0.00 C ATOM 542 CD1 LEU A 35 0.558 -13.763 -8.256 1.00 0.00 C ATOM 543 CD2 LEU A 35 2.941 -13.580 -7.521 1.00 0.00 C ATOM 0 H LEU A 35 1.561 -16.252 -5.129 1.00 0.00 H new ATOM 0 HA LEU A 35 3.116 -13.949 -4.998 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.202 -14.470 -5.640 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.897 -12.865 -5.756 1.00 0.00 H new ATOM 0 HG LEU A 35 1.709 -15.311 -7.349 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.905 -13.987 -9.265 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.386 -14.277 -8.074 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.411 -12.688 -8.154 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.255 -13.807 -8.540 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.854 -12.500 -7.401 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.681 -13.965 -6.819 1.00 0.00 H new ATOM 555 N TYR A 36 1.020 -14.245 -2.545 1.00 0.00 N ATOM 556 CA TYR A 36 0.585 -13.664 -1.280 1.00 0.00 C ATOM 557 C TYR A 36 1.764 -13.057 -0.527 1.00 0.00 C ATOM 558 O TYR A 36 1.645 -11.991 0.080 1.00 0.00 O ATOM 559 CB TYR A 36 -0.094 -14.727 -0.415 1.00 0.00 C ATOM 560 CG TYR A 36 -1.481 -15.100 -0.890 1.00 0.00 C ATOM 561 CD1 TYR A 36 -2.427 -14.121 -1.169 1.00 0.00 C ATOM 562 CD2 TYR A 36 -1.844 -16.430 -1.061 1.00 0.00 C ATOM 563 CE1 TYR A 36 -3.695 -14.457 -1.604 1.00 0.00 C ATOM 564 CE2 TYR A 36 -3.109 -16.775 -1.496 1.00 0.00 C ATOM 565 CZ TYR A 36 -4.031 -15.786 -1.765 1.00 0.00 C ATOM 566 OH TYR A 36 -5.293 -16.124 -2.199 1.00 0.00 O ATOM 0 H TYR A 36 0.733 -15.214 -2.685 1.00 0.00 H new ATOM 0 HA TYR A 36 -0.130 -12.871 -1.499 1.00 0.00 H new ATOM 0 HB2 TYR A 36 0.528 -15.622 -0.399 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -0.156 -14.363 0.611 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -2.167 -13.080 -1.044 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -1.125 -17.208 -0.850 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -4.419 -13.684 -1.817 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -3.374 -17.814 -1.625 1.00 0.00 H new ATOM 0 HH TYR A 36 -5.367 -17.099 -2.261 1.00 0.00 H new ATOM 576 N LEU A 37 2.902 -13.741 -0.570 1.00 0.00 N ATOM 577 CA LEU A 37 4.104 -13.270 0.108 1.00 0.00 C ATOM 578 C LEU A 37 4.657 -12.020 -0.571 1.00 0.00 C ATOM 579 O LEU A 37 4.716 -10.948 0.033 1.00 0.00 O ATOM 580 CB LEU A 37 5.169 -14.369 0.122 1.00 0.00 C ATOM 581 CG LEU A 37 4.843 -15.607 0.957 1.00 0.00 C ATOM 582 CD1 LEU A 37 5.741 -16.769 0.562 1.00 0.00 C ATOM 583 CD2 LEU A 37 4.984 -15.302 2.441 1.00 0.00 C ATOM 0 H LEU A 37 3.017 -14.624 -1.068 1.00 0.00 H new ATOM 0 HA LEU A 37 3.838 -13.017 1.134 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.350 -14.685 -0.905 1.00 0.00 H new ATOM 0 HB3 LEU A 37 6.100 -13.940 0.492 1.00 0.00 H new ATOM 0 HG LEU A 37 3.809 -15.891 0.762 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.494 -17.641 1.167 1.00 0.00 H new ATOM 0 HD12 LEU A 37 5.590 -17.004 -0.492 1.00 0.00 H new ATOM 0 HD13 LEU A 37 6.783 -16.496 0.727 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.748 -16.195 3.020 1.00 0.00 H new ATOM 0 HD22 LEU A 37 6.007 -14.992 2.653 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.298 -14.500 2.714 1.00 0.00 H new ATOM 595 N SER A 38 5.059 -12.164 -1.829 1.00 0.00 N ATOM 596 CA SER A 38 5.608 -11.048 -2.589 1.00 0.00 C ATOM 597 C SER A 38 4.770 -9.789 -2.387 1.00 0.00 C ATOM 598 O SER A 38 5.243 -8.798 -1.829 1.00 0.00 O ATOM 599 CB SER A 38 5.672 -11.398 -4.077 1.00 0.00 C ATOM 600 OG SER A 38 4.439 -11.931 -4.528 1.00 0.00 O ATOM 0 H SER A 38 5.015 -13.043 -2.344 1.00 0.00 H new ATOM 0 HA SER A 38 6.617 -10.855 -2.225 1.00 0.00 H new ATOM 0 HB2 SER A 38 5.919 -10.506 -4.653 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.469 -12.121 -4.250 1.00 0.00 H new ATOM 0 HG SER A 38 4.505 -12.145 -5.482 1.00 0.00 H new ATOM 606 N SER A 39 3.523 -9.835 -2.845 1.00 0.00 N ATOM 607 CA SER A 39 2.619 -8.698 -2.719 1.00 0.00 C ATOM 608 C SER A 39 2.675 -8.114 -1.310 1.00 0.00 C ATOM 609 O SER A 39 2.691 -6.896 -1.131 1.00 0.00 O ATOM 610 CB SER A 39 1.187 -9.119 -3.052 1.00 0.00 C ATOM 611 OG SER A 39 0.928 -8.993 -4.440 1.00 0.00 O ATOM 0 H SER A 39 3.116 -10.648 -3.307 1.00 0.00 H new ATOM 0 HA SER A 39 2.938 -7.931 -3.425 1.00 0.00 H new ATOM 0 HB2 SER A 39 1.027 -10.151 -2.741 1.00 0.00 H new ATOM 0 HB3 SER A 39 0.484 -8.504 -2.490 1.00 0.00 H new ATOM 0 HG SER A 39 0.007 -9.270 -4.627 1.00 0.00 H new ATOM 617 N LYS A 40 2.704 -8.991 -0.313 1.00 0.00 N ATOM 618 CA LYS A 40 2.759 -8.566 1.081 1.00 0.00 C ATOM 619 C LYS A 40 4.063 -7.829 1.373 1.00 0.00 C ATOM 620 O LYS A 40 4.061 -6.629 1.651 1.00 0.00 O ATOM 621 CB LYS A 40 2.626 -9.774 2.010 1.00 0.00 C ATOM 622 CG LYS A 40 2.249 -9.407 3.434 1.00 0.00 C ATOM 623 CD LYS A 40 1.456 -10.515 4.106 1.00 0.00 C ATOM 624 CE LYS A 40 1.461 -10.367 5.620 1.00 0.00 C ATOM 625 NZ LYS A 40 2.793 -10.684 6.204 1.00 0.00 N ATOM 0 H LYS A 40 2.690 -10.002 -0.444 1.00 0.00 H new ATOM 0 HA LYS A 40 1.927 -7.884 1.260 1.00 0.00 H new ATOM 0 HB2 LYS A 40 1.873 -10.451 1.607 1.00 0.00 H new ATOM 0 HB3 LYS A 40 3.570 -10.318 2.022 1.00 0.00 H new ATOM 0 HG2 LYS A 40 3.152 -9.205 4.010 1.00 0.00 H new ATOM 0 HG3 LYS A 40 1.661 -8.489 3.430 1.00 0.00 H new ATOM 0 HD2 LYS A 40 0.429 -10.501 3.742 1.00 0.00 H new ATOM 0 HD3 LYS A 40 1.878 -11.482 3.833 1.00 0.00 H new ATOM 0 HE2 LYS A 40 1.181 -9.348 5.886 1.00 0.00 H new ATOM 0 HE3 LYS A 40 0.709 -11.027 6.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 2.693 -10.854 7.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 3.179 -11.535 5.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 3.440 -9.884 6.048 1.00 0.00 H new ATOM 639 N THR A 41 5.176 -8.554 1.307 1.00 0.00 N ATOM 640 CA THR A 41 6.485 -7.969 1.564 1.00 0.00 C ATOM 641 C THR A 41 6.624 -6.611 0.886 1.00 0.00 C ATOM 642 O THR A 41 6.883 -5.603 1.542 1.00 0.00 O ATOM 643 CB THR A 41 7.618 -8.892 1.078 1.00 0.00 C ATOM 644 OG1 THR A 41 7.494 -10.183 1.687 1.00 0.00 O ATOM 645 CG2 THR A 41 8.980 -8.299 1.408 1.00 0.00 C ATOM 0 H THR A 41 5.196 -9.548 1.078 1.00 0.00 H new ATOM 0 HA THR A 41 6.568 -7.842 2.643 1.00 0.00 H new ATOM 0 HB THR A 41 7.536 -8.991 -0.004 1.00 0.00 H new ATOM 0 HG1 THR A 41 8.217 -10.764 1.371 1.00 0.00 H new ATOM 0 HG21 THR A 41 9.764 -8.969 1.055 1.00 0.00 H new ATOM 0 HG22 THR A 41 9.083 -7.330 0.919 1.00 0.00 H new ATOM 0 HG23 THR A 41 9.070 -8.172 2.487 1.00 0.00 H new ATOM 653 N GLU A 42 6.449 -6.593 -0.432 1.00 0.00 N ATOM 654 CA GLU A 42 6.556 -5.358 -1.198 1.00 0.00 C ATOM 655 C GLU A 42 5.606 -4.295 -0.653 1.00 0.00 C ATOM 656 O GLU A 42 6.035 -3.223 -0.226 1.00 0.00 O ATOM 657 CB GLU A 42 6.252 -5.620 -2.675 1.00 0.00 C ATOM 658 CG GLU A 42 6.662 -4.481 -3.593 1.00 0.00 C ATOM 659 CD GLU A 42 7.027 -4.955 -4.986 1.00 0.00 C ATOM 660 OE1 GLU A 42 7.746 -5.970 -5.098 1.00 0.00 O ATOM 661 OE2 GLU A 42 6.592 -4.313 -5.964 1.00 0.00 O ATOM 0 H GLU A 42 6.233 -7.419 -0.990 1.00 0.00 H new ATOM 0 HA GLU A 42 7.578 -4.990 -1.104 1.00 0.00 H new ATOM 0 HB2 GLU A 42 6.765 -6.529 -2.987 1.00 0.00 H new ATOM 0 HB3 GLU A 42 5.183 -5.802 -2.790 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.845 -3.762 -3.661 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.513 -3.957 -3.157 1.00 0.00 H new ATOM 668 N LEU A 43 4.313 -4.600 -0.673 1.00 0.00 N ATOM 669 CA LEU A 43 3.301 -3.672 -0.182 1.00 0.00 C ATOM 670 C LEU A 43 3.750 -3.016 1.120 1.00 0.00 C ATOM 671 O LEU A 43 3.700 -1.795 1.260 1.00 0.00 O ATOM 672 CB LEU A 43 1.973 -4.402 0.034 1.00 0.00 C ATOM 673 CG LEU A 43 1.080 -4.545 -1.199 1.00 0.00 C ATOM 674 CD1 LEU A 43 0.005 -5.593 -0.959 1.00 0.00 C ATOM 675 CD2 LEU A 43 0.451 -3.207 -1.561 1.00 0.00 C ATOM 0 H LEU A 43 3.941 -5.483 -1.024 1.00 0.00 H new ATOM 0 HA LEU A 43 3.163 -2.893 -0.932 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.187 -5.398 0.421 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.412 -3.874 0.805 1.00 0.00 H new ATOM 0 HG LEU A 43 1.698 -4.871 -2.036 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.621 -5.682 -1.847 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.474 -6.554 -0.749 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.610 -5.296 -0.109 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.181 -3.328 -2.441 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.153 -2.851 -0.726 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.236 -2.482 -1.775 1.00 0.00 H new ATOM 687 N GLN A 44 4.190 -3.836 2.069 1.00 0.00 N ATOM 688 CA GLN A 44 4.649 -3.334 3.359 1.00 0.00 C ATOM 689 C GLN A 44 5.728 -2.271 3.177 1.00 0.00 C ATOM 690 O GLN A 44 5.771 -1.285 3.911 1.00 0.00 O ATOM 691 CB GLN A 44 5.188 -4.483 4.214 1.00 0.00 C ATOM 692 CG GLN A 44 4.104 -5.401 4.754 1.00 0.00 C ATOM 693 CD GLN A 44 4.663 -6.546 5.573 1.00 0.00 C ATOM 694 OE1 GLN A 44 5.791 -6.988 5.355 1.00 0.00 O ATOM 695 NE2 GLN A 44 3.875 -7.036 6.522 1.00 0.00 N ATOM 0 H GLN A 44 4.238 -4.850 1.969 1.00 0.00 H new ATOM 0 HA GLN A 44 3.799 -2.879 3.867 1.00 0.00 H new ATOM 0 HB2 GLN A 44 5.887 -5.071 3.619 1.00 0.00 H new ATOM 0 HB3 GLN A 44 5.751 -4.069 5.050 1.00 0.00 H new ATOM 0 HG2 GLN A 44 3.416 -4.821 5.369 1.00 0.00 H new ATOM 0 HG3 GLN A 44 3.526 -5.803 3.922 1.00 0.00 H new ATOM 0 HE21 GLN A 44 2.947 -6.640 6.669 1.00 0.00 H new ATOM 0 HE22 GLN A 44 4.198 -7.809 7.104 1.00 0.00 H new ATOM 704 N GLY A 45 6.596 -2.478 2.192 1.00 0.00 N ATOM 705 CA GLY A 45 7.663 -1.530 1.932 1.00 0.00 C ATOM 706 C GLY A 45 7.140 -0.158 1.556 1.00 0.00 C ATOM 707 O GLY A 45 7.514 0.846 2.163 1.00 0.00 O ATOM 0 H GLY A 45 6.579 -3.286 1.569 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.293 -1.445 2.817 1.00 0.00 H new ATOM 0 HA3 GLY A 45 8.293 -1.908 1.127 1.00 0.00 H new ATOM 711 N LEU A 46 6.272 -0.112 0.551 1.00 0.00 N ATOM 712 CA LEU A 46 5.696 1.148 0.093 1.00 0.00 C ATOM 713 C LEU A 46 5.292 2.023 1.275 1.00 0.00 C ATOM 714 O LEU A 46 5.621 3.209 1.323 1.00 0.00 O ATOM 715 CB LEU A 46 4.482 0.882 -0.799 1.00 0.00 C ATOM 716 CG LEU A 46 4.779 0.293 -2.179 1.00 0.00 C ATOM 717 CD1 LEU A 46 3.521 -0.313 -2.782 1.00 0.00 C ATOM 718 CD2 LEU A 46 5.354 1.359 -3.101 1.00 0.00 C ATOM 0 H LEU A 46 5.951 -0.933 0.038 1.00 0.00 H new ATOM 0 HA LEU A 46 6.454 1.677 -0.485 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.812 0.203 -0.273 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.943 1.820 -0.935 1.00 0.00 H new ATOM 0 HG LEU A 46 5.520 -0.498 -2.064 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.751 -0.727 -3.764 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.151 -1.105 -2.131 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.758 0.459 -2.884 1.00 0.00 H new ATOM 0 HD21 LEU A 46 5.559 0.922 -4.078 1.00 0.00 H new ATOM 0 HD22 LEU A 46 4.636 2.172 -3.210 1.00 0.00 H new ATOM 0 HD23 LEU A 46 6.279 1.747 -2.676 1.00 0.00 H new ATOM 730 N ILE A 47 4.578 1.430 2.226 1.00 0.00 N ATOM 731 CA ILE A 47 4.132 2.156 3.409 1.00 0.00 C ATOM 732 C ILE A 47 5.296 2.870 4.088 1.00 0.00 C ATOM 733 O ILE A 47 5.172 4.019 4.511 1.00 0.00 O ATOM 734 CB ILE A 47 3.459 1.215 4.426 1.00 0.00 C ATOM 735 CG1 ILE A 47 2.317 0.443 3.762 1.00 0.00 C ATOM 736 CG2 ILE A 47 2.948 2.005 5.621 1.00 0.00 C ATOM 737 CD1 ILE A 47 1.642 -0.549 4.683 1.00 0.00 C ATOM 0 H ILE A 47 4.296 0.450 2.201 1.00 0.00 H new ATOM 0 HA ILE A 47 3.404 2.893 3.071 1.00 0.00 H new ATOM 0 HB ILE A 47 4.199 0.497 4.780 1.00 0.00 H new ATOM 0 HG12 ILE A 47 1.574 1.152 3.398 1.00 0.00 H new ATOM 0 HG13 ILE A 47 2.705 -0.087 2.892 1.00 0.00 H new ATOM 0 HG21 ILE A 47 2.475 1.326 6.331 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.782 2.513 6.105 1.00 0.00 H new ATOM 0 HG23 ILE A 47 2.220 2.743 5.285 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.843 -1.059 4.145 1.00 0.00 H new ATOM 0 HD12 ILE A 47 2.373 -1.281 5.028 1.00 0.00 H new ATOM 0 HD13 ILE A 47 1.223 -0.023 5.541 1.00 0.00 H new ATOM 749 N GLY A 48 6.429 2.181 4.187 1.00 0.00 N ATOM 750 CA GLY A 48 7.601 2.766 4.813 1.00 0.00 C ATOM 751 C GLY A 48 7.822 4.207 4.398 1.00 0.00 C ATOM 752 O GLY A 48 8.244 5.034 5.205 1.00 0.00 O ATOM 0 H GLY A 48 6.556 1.228 3.845 1.00 0.00 H new ATOM 0 HA2 GLY A 48 7.494 2.716 5.897 1.00 0.00 H new ATOM 0 HA3 GLY A 48 8.480 2.177 4.552 1.00 0.00 H new ATOM 756 N GLN A 49 7.536 4.507 3.135 1.00 0.00 N ATOM 757 CA GLN A 49 7.710 5.859 2.613 1.00 0.00 C ATOM 758 C GLN A 49 6.830 6.849 3.368 1.00 0.00 C ATOM 759 O GLN A 49 7.245 7.975 3.649 1.00 0.00 O ATOM 760 CB GLN A 49 7.378 5.898 1.120 1.00 0.00 C ATOM 761 CG GLN A 49 8.390 5.168 0.252 1.00 0.00 C ATOM 762 CD GLN A 49 8.237 5.491 -1.220 1.00 0.00 C ATOM 763 OE1 GLN A 49 9.103 6.127 -1.821 1.00 0.00 O ATOM 764 NE2 GLN A 49 7.132 5.054 -1.811 1.00 0.00 N ATOM 0 H GLN A 49 7.183 3.834 2.455 1.00 0.00 H new ATOM 0 HA GLN A 49 8.752 6.146 2.753 1.00 0.00 H new ATOM 0 HB2 GLN A 49 6.393 5.458 0.964 1.00 0.00 H new ATOM 0 HB3 GLN A 49 7.317 6.937 0.797 1.00 0.00 H new ATOM 0 HG2 GLN A 49 9.397 5.432 0.575 1.00 0.00 H new ATOM 0 HG3 GLN A 49 8.280 4.093 0.398 1.00 0.00 H new ATOM 0 HE21 GLN A 49 6.440 4.530 -1.275 1.00 0.00 H new ATOM 0 HE22 GLN A 49 6.975 5.242 -2.801 1.00 0.00 H new ATOM 773 N LEU A 50 5.614 6.425 3.694 1.00 0.00 N ATOM 774 CA LEU A 50 4.675 7.276 4.415 1.00 0.00 C ATOM 775 C LEU A 50 5.278 7.761 5.730 1.00 0.00 C ATOM 776 O LEU A 50 4.948 8.843 6.214 1.00 0.00 O ATOM 777 CB LEU A 50 3.374 6.518 4.688 1.00 0.00 C ATOM 778 CG LEU A 50 2.446 6.326 3.488 1.00 0.00 C ATOM 779 CD1 LEU A 50 1.504 5.154 3.724 1.00 0.00 C ATOM 780 CD2 LEU A 50 1.658 7.599 3.215 1.00 0.00 C ATOM 0 H LEU A 50 5.255 5.497 3.470 1.00 0.00 H new ATOM 0 HA LEU A 50 4.459 8.144 3.792 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.626 5.536 5.088 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.824 7.048 5.466 1.00 0.00 H new ATOM 0 HG LEU A 50 3.056 6.105 2.612 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.851 5.032 2.860 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.085 4.244 3.871 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.900 5.346 4.611 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.003 7.445 2.358 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.058 7.850 4.090 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.348 8.415 3.002 1.00 0.00 H new ATOM 792 N ASP A 51 6.167 6.954 6.300 1.00 0.00 N ATOM 793 CA ASP A 51 6.821 7.302 7.556 1.00 0.00 C ATOM 794 C ASP A 51 7.679 8.552 7.394 1.00 0.00 C ATOM 795 O ASP A 51 8.122 9.143 8.378 1.00 0.00 O ATOM 796 CB ASP A 51 7.681 6.137 8.047 1.00 0.00 C ATOM 797 CG ASP A 51 6.988 4.798 7.889 1.00 0.00 C ATOM 798 OD1 ASP A 51 5.827 4.781 7.429 1.00 0.00 O ATOM 799 OD2 ASP A 51 7.605 3.766 8.227 1.00 0.00 O ATOM 0 H ASP A 51 6.451 6.054 5.912 1.00 0.00 H new ATOM 0 HA ASP A 51 6.047 7.509 8.295 1.00 0.00 H new ATOM 0 HB2 ASP A 51 8.620 6.124 7.494 1.00 0.00 H new ATOM 0 HB3 ASP A 51 7.932 6.291 9.097 1.00 0.00 H new ATOM 804 N GLU A 52 7.910 8.947 6.146 1.00 0.00 N ATOM 805 CA GLU A 52 8.718 10.126 5.856 1.00 0.00 C ATOM 806 C GLU A 52 7.833 11.342 5.598 1.00 0.00 C ATOM 807 O GLU A 52 8.271 12.485 5.742 1.00 0.00 O ATOM 808 CB GLU A 52 9.618 9.871 4.645 1.00 0.00 C ATOM 809 CG GLU A 52 8.979 10.255 3.321 1.00 0.00 C ATOM 810 CD GLU A 52 9.563 9.491 2.149 1.00 0.00 C ATOM 811 OE1 GLU A 52 10.718 9.779 1.770 1.00 0.00 O ATOM 812 OE2 GLU A 52 8.866 8.607 1.609 1.00 0.00 O ATOM 0 H GLU A 52 7.550 8.469 5.320 1.00 0.00 H new ATOM 0 HA GLU A 52 9.342 10.330 6.726 1.00 0.00 H new ATOM 0 HB2 GLU A 52 10.545 10.431 4.767 1.00 0.00 H new ATOM 0 HB3 GLU A 52 9.885 8.815 4.617 1.00 0.00 H new ATOM 0 HG2 GLU A 52 7.906 10.070 3.372 1.00 0.00 H new ATOM 0 HG3 GLU A 52 9.110 11.324 3.155 1.00 0.00 H new ATOM 819 N VAL A 53 6.586 11.088 5.218 1.00 0.00 N ATOM 820 CA VAL A 53 5.637 12.161 4.940 1.00 0.00 C ATOM 821 C VAL A 53 4.738 12.425 6.144 1.00 0.00 C ATOM 822 O VAL A 53 3.554 12.723 5.993 1.00 0.00 O ATOM 823 CB VAL A 53 4.758 11.832 3.720 1.00 0.00 C ATOM 824 CG1 VAL A 53 5.588 11.182 2.624 1.00 0.00 C ATOM 825 CG2 VAL A 53 3.599 10.934 4.125 1.00 0.00 C ATOM 0 H VAL A 53 6.208 10.149 5.095 1.00 0.00 H new ATOM 0 HA VAL A 53 6.224 13.054 4.725 1.00 0.00 H new ATOM 0 HB VAL A 53 4.347 12.763 3.329 1.00 0.00 H new ATOM 0 HG11 VAL A 53 4.950 10.957 1.770 1.00 0.00 H new ATOM 0 HG12 VAL A 53 6.381 11.864 2.315 1.00 0.00 H new ATOM 0 HG13 VAL A 53 6.029 10.259 3.001 1.00 0.00 H new ATOM 0 HG21 VAL A 53 2.988 10.712 3.250 1.00 0.00 H new ATOM 0 HG22 VAL A 53 3.987 10.005 4.542 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.990 11.441 4.873 1.00 0.00 H new ATOM 835 N SER A 54 5.311 12.314 7.338 1.00 0.00 N ATOM 836 CA SER A 54 4.561 12.537 8.569 1.00 0.00 C ATOM 837 C SER A 54 3.480 13.594 8.362 1.00 0.00 C ATOM 838 O SER A 54 3.760 14.793 8.352 1.00 0.00 O ATOM 839 CB SER A 54 5.503 12.969 9.694 1.00 0.00 C ATOM 840 OG SER A 54 4.799 13.130 10.914 1.00 0.00 O ATOM 0 H SER A 54 6.292 12.071 7.479 1.00 0.00 H new ATOM 0 HA SER A 54 4.080 11.599 8.847 1.00 0.00 H new ATOM 0 HB2 SER A 54 6.290 12.225 9.820 1.00 0.00 H new ATOM 0 HB3 SER A 54 5.990 13.906 9.425 1.00 0.00 H new ATOM 0 HG SER A 54 5.423 13.405 11.618 1.00 0.00 H new ATOM 846 N LEU A 55 2.242 13.140 8.196 1.00 0.00 N ATOM 847 CA LEU A 55 1.116 14.045 7.989 1.00 0.00 C ATOM 848 C LEU A 55 1.220 15.261 8.903 1.00 0.00 C ATOM 849 O LEU A 55 1.971 15.254 9.878 1.00 0.00 O ATOM 850 CB LEU A 55 -0.204 13.314 8.242 1.00 0.00 C ATOM 851 CG LEU A 55 -0.779 13.435 9.653 1.00 0.00 C ATOM 852 CD1 LEU A 55 -1.800 12.338 9.909 1.00 0.00 C ATOM 853 CD2 LEU A 55 0.335 13.382 10.689 1.00 0.00 C ATOM 0 H LEU A 55 1.993 12.151 8.201 1.00 0.00 H new ATOM 0 HA LEU A 55 1.142 14.388 6.955 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.945 13.689 7.536 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.059 12.257 8.020 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.282 14.398 9.739 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.198 12.440 10.918 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -2.613 12.422 9.188 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -1.322 11.364 9.805 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.093 13.470 11.688 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.866 12.434 10.604 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.030 14.204 10.518 1.00 0.00 H new ATOM 865 N GLU A 56 0.460 16.303 8.581 1.00 0.00 N ATOM 866 CA GLU A 56 0.466 17.527 9.376 1.00 0.00 C ATOM 867 C GLU A 56 -0.937 18.118 9.475 1.00 0.00 C ATOM 868 O GLU A 56 -1.908 17.525 9.005 1.00 0.00 O ATOM 869 CB GLU A 56 1.423 18.552 8.764 1.00 0.00 C ATOM 870 CG GLU A 56 2.708 17.944 8.229 1.00 0.00 C ATOM 871 CD GLU A 56 3.675 18.989 7.705 1.00 0.00 C ATOM 872 OE1 GLU A 56 3.453 20.189 7.970 1.00 0.00 O ATOM 873 OE2 GLU A 56 4.654 18.605 7.032 1.00 0.00 O ATOM 0 H GLU A 56 -0.167 16.325 7.777 1.00 0.00 H new ATOM 0 HA GLU A 56 0.807 17.277 10.381 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.913 19.073 7.954 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.671 19.299 9.518 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.192 17.372 9.021 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.468 17.243 7.429 1.00 0.00 H new ATOM 880 N LYS A 57 -1.035 19.291 10.089 1.00 0.00 N ATOM 881 CA LYS A 57 -2.318 19.966 10.250 1.00 0.00 C ATOM 882 C LYS A 57 -3.060 20.050 8.920 1.00 0.00 C ATOM 883 O LYS A 57 -4.233 19.693 8.829 1.00 0.00 O ATOM 884 CB LYS A 57 -2.111 21.371 10.821 1.00 0.00 C ATOM 885 CG LYS A 57 -1.123 22.210 10.028 1.00 0.00 C ATOM 886 CD LYS A 57 -0.417 23.224 10.913 1.00 0.00 C ATOM 887 CE LYS A 57 -1.318 24.406 11.233 1.00 0.00 C ATOM 888 NZ LYS A 57 -2.178 24.143 12.420 1.00 0.00 N ATOM 0 H LYS A 57 -0.241 19.795 10.484 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.921 19.383 10.946 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -3.071 21.887 10.851 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -1.761 21.288 11.850 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.385 21.559 9.559 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -1.647 22.729 9.225 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -0.102 22.744 11.839 1.00 0.00 H new ATOM 0 HD3 LYS A 57 0.486 23.577 10.415 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -0.706 25.289 11.416 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -1.947 24.627 10.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -2.447 25.046 12.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -3.035 23.635 12.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -1.654 23.565 13.107 1.00 0.00 H new ATOM 902 N ASN A 58 -2.366 20.525 7.890 1.00 0.00 N ATOM 903 CA ASN A 58 -2.960 20.655 6.565 1.00 0.00 C ATOM 904 C ASN A 58 -3.975 19.545 6.312 1.00 0.00 C ATOM 905 O ASN A 58 -3.853 18.430 6.822 1.00 0.00 O ATOM 906 CB ASN A 58 -1.871 20.621 5.490 1.00 0.00 C ATOM 907 CG ASN A 58 -1.236 21.980 5.267 1.00 0.00 C ATOM 908 OD1 ASN A 58 -1.855 22.789 4.415 1.00 0.00 O flip ATOM 909 ND2 ASN A 58 -0.202 22.299 5.853 1.00 0.00 N flip ATOM 0 H ASN A 58 -1.393 20.826 7.948 1.00 0.00 H new ATOM 0 HA ASN A 58 -3.478 21.613 6.519 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -1.101 19.906 5.780 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -2.300 20.265 4.553 1.00 0.00 H new ATOM 0 HD21 ASN A 58 0.240 21.646 6.499 1.00 0.00 H new ATOM 0 HD22 ASN A 58 0.213 23.217 5.692 1.00 0.00 H new ATOM 916 N PRO A 59 -5.000 19.853 5.504 1.00 0.00 N ATOM 917 CA PRO A 59 -6.055 18.895 5.163 1.00 0.00 C ATOM 918 C PRO A 59 -5.552 17.775 4.259 1.00 0.00 C ATOM 919 O PRO A 59 -5.760 16.594 4.542 1.00 0.00 O ATOM 920 CB PRO A 59 -7.089 19.751 4.428 1.00 0.00 C ATOM 921 CG PRO A 59 -6.309 20.892 3.872 1.00 0.00 C ATOM 922 CD PRO A 59 -5.208 21.161 4.860 1.00 0.00 C ATOM 0 HA PRO A 59 -6.448 18.392 6.046 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -7.581 19.185 3.637 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -7.870 20.098 5.105 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -5.902 20.645 2.891 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -6.941 21.771 3.743 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -4.303 21.514 4.366 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -5.495 21.924 5.584 1.00 0.00 H new ATOM 930 N CYS A 60 -4.890 18.152 3.171 1.00 0.00 N ATOM 931 CA CYS A 60 -4.356 17.179 2.225 1.00 0.00 C ATOM 932 C CYS A 60 -3.376 16.233 2.912 1.00 0.00 C ATOM 933 O CYS A 60 -3.673 15.054 3.112 1.00 0.00 O ATOM 934 CB CYS A 60 -3.665 17.893 1.063 1.00 0.00 C ATOM 935 SG CYS A 60 -4.791 18.807 -0.017 1.00 0.00 S ATOM 0 H CYS A 60 -4.710 19.125 2.922 1.00 0.00 H new ATOM 0 HA CYS A 60 -5.188 16.591 1.838 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -2.923 18.584 1.464 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -3.125 17.157 0.467 1.00 0.00 H new ATOM 0 HG CYS A 60 -4.113 19.378 -0.968 1.00 0.00 H new ATOM 941 N ILE A 61 -2.208 16.756 3.268 1.00 0.00 N ATOM 942 CA ILE A 61 -1.185 15.958 3.932 1.00 0.00 C ATOM 943 C ILE A 61 -1.780 15.136 5.069 1.00 0.00 C ATOM 944 O ILE A 61 -1.371 13.999 5.307 1.00 0.00 O ATOM 945 CB ILE A 61 -0.055 16.842 4.490 1.00 0.00 C ATOM 946 CG1 ILE A 61 0.596 17.648 3.364 1.00 0.00 C ATOM 947 CG2 ILE A 61 0.982 15.989 5.205 1.00 0.00 C ATOM 948 CD1 ILE A 61 -0.106 18.956 3.070 1.00 0.00 C ATOM 0 H ILE A 61 -1.946 17.729 3.108 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.772 15.287 3.179 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.483 17.539 5.210 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.633 17.854 3.629 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.612 17.043 2.458 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.774 16.629 5.594 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.509 15.456 6.030 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.407 15.270 4.505 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.411 19.473 2.261 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.136 18.758 2.774 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.099 19.581 3.963 1.00 0.00 H new ATOM 960 N ARG A 62 -2.751 15.717 5.767 1.00 0.00 N ATOM 961 CA ARG A 62 -3.404 15.038 6.879 1.00 0.00 C ATOM 962 C ARG A 62 -4.166 13.809 6.394 1.00 0.00 C ATOM 963 O ARG A 62 -4.179 12.772 7.057 1.00 0.00 O ATOM 964 CB ARG A 62 -4.358 15.993 7.598 1.00 0.00 C ATOM 965 CG ARG A 62 -5.320 15.295 8.545 1.00 0.00 C ATOM 966 CD ARG A 62 -5.825 16.241 9.625 1.00 0.00 C ATOM 967 NE ARG A 62 -7.049 15.752 10.252 1.00 0.00 N ATOM 968 CZ ARG A 62 -7.833 16.502 11.018 1.00 0.00 C ATOM 969 NH1 ARG A 62 -7.521 17.770 11.248 1.00 0.00 N ATOM 970 NH2 ARG A 62 -8.931 15.985 11.554 1.00 0.00 N ATOM 0 H ARG A 62 -3.102 16.656 5.582 1.00 0.00 H new ATOM 0 HA ARG A 62 -2.632 14.713 7.577 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -3.774 16.722 8.159 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -4.931 16.548 6.855 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -6.165 14.901 7.981 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -4.822 14.444 9.009 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -5.054 16.368 10.385 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -6.008 17.223 9.190 1.00 0.00 H new ATOM 0 HE ARG A 62 -7.317 14.781 10.093 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -6.678 18.171 10.836 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -8.124 18.345 11.836 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -9.174 15.010 11.378 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -9.532 16.562 12.142 1.00 0.00 H new ATOM 984 N GLU A 63 -4.802 13.934 5.233 1.00 0.00 N ATOM 985 CA GLU A 63 -5.569 12.833 4.660 1.00 0.00 C ATOM 986 C GLU A 63 -4.648 11.833 3.965 1.00 0.00 C ATOM 987 O GLU A 63 -4.611 10.657 4.323 1.00 0.00 O ATOM 988 CB GLU A 63 -6.603 13.366 3.667 1.00 0.00 C ATOM 989 CG GLU A 63 -7.931 13.732 4.308 1.00 0.00 C ATOM 990 CD GLU A 63 -8.828 14.527 3.381 1.00 0.00 C ATOM 991 OE1 GLU A 63 -8.731 15.773 3.384 1.00 0.00 O ATOM 992 OE2 GLU A 63 -9.628 13.905 2.649 1.00 0.00 O ATOM 0 H GLU A 63 -4.801 14.785 4.671 1.00 0.00 H new ATOM 0 HA GLU A 63 -6.086 12.322 5.472 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -6.196 14.245 3.168 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.776 12.614 2.897 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.446 12.821 4.612 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -7.746 14.311 5.213 1.00 0.00 H new ATOM 999 N ALA A 64 -3.908 12.312 2.971 1.00 0.00 N ATOM 1000 CA ALA A 64 -2.987 11.461 2.227 1.00 0.00 C ATOM 1001 C ALA A 64 -2.379 10.391 3.128 1.00 0.00 C ATOM 1002 O ALA A 64 -2.573 9.196 2.907 1.00 0.00 O ATOM 1003 CB ALA A 64 -1.892 12.302 1.589 1.00 0.00 C ATOM 0 H ALA A 64 -3.928 13.284 2.662 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.549 10.959 1.440 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -1.211 11.654 1.037 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -2.339 13.025 0.907 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.340 12.830 2.366 1.00 0.00 H new ATOM 1009 N ARG A 65 -1.641 10.828 4.143 1.00 0.00 N ATOM 1010 CA ARG A 65 -1.003 9.908 5.076 1.00 0.00 C ATOM 1011 C ARG A 65 -1.953 8.778 5.462 1.00 0.00 C ATOM 1012 O ARG A 65 -1.805 7.644 5.005 1.00 0.00 O ATOM 1013 CB ARG A 65 -0.545 10.654 6.331 1.00 0.00 C ATOM 1014 CG ARG A 65 0.198 9.777 7.325 1.00 0.00 C ATOM 1015 CD ARG A 65 1.626 9.512 6.874 1.00 0.00 C ATOM 1016 NE ARG A 65 2.231 8.398 7.599 1.00 0.00 N ATOM 1017 CZ ARG A 65 2.818 8.525 8.784 1.00 0.00 C ATOM 1018 NH1 ARG A 65 2.879 9.710 9.374 1.00 0.00 N ATOM 1019 NH2 ARG A 65 3.345 7.463 9.381 1.00 0.00 N ATOM 0 H ARG A 65 -1.470 11.814 4.340 1.00 0.00 H new ATOM 0 HA ARG A 65 -0.133 9.476 4.581 1.00 0.00 H new ATOM 0 HB2 ARG A 65 0.101 11.481 6.036 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -1.415 11.089 6.823 1.00 0.00 H new ATOM 0 HG2 ARG A 65 0.207 10.260 8.302 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -0.329 8.830 7.442 1.00 0.00 H new ATOM 0 HD2 ARG A 65 1.635 9.297 5.806 1.00 0.00 H new ATOM 0 HD3 ARG A 65 2.226 10.410 7.023 1.00 0.00 H new ATOM 0 HE ARG A 65 2.201 7.472 7.172 1.00 0.00 H new ATOM 0 HH11 ARG A 65 2.475 10.528 8.918 1.00 0.00 H new ATOM 0 HH12 ARG A 65 3.330 9.804 10.284 1.00 0.00 H new ATOM 0 HH21 ARG A 65 3.299 6.549 8.930 1.00 0.00 H new ATOM 0 HH22 ARG A 65 3.796 7.561 10.291 1.00 0.00 H new ATOM 1033 N ARG A 66 -2.931 9.096 6.305 1.00 0.00 N ATOM 1034 CA ARG A 66 -3.905 8.109 6.753 1.00 0.00 C ATOM 1035 C ARG A 66 -4.442 7.301 5.575 1.00 0.00 C ATOM 1036 O ARG A 66 -4.212 6.095 5.480 1.00 0.00 O ATOM 1037 CB ARG A 66 -5.060 8.795 7.484 1.00 0.00 C ATOM 1038 CG ARG A 66 -5.870 7.855 8.362 1.00 0.00 C ATOM 1039 CD ARG A 66 -7.044 8.571 9.009 1.00 0.00 C ATOM 1040 NE ARG A 66 -7.456 7.932 10.256 1.00 0.00 N ATOM 1041 CZ ARG A 66 -8.287 6.896 10.311 1.00 0.00 C ATOM 1042 NH1 ARG A 66 -8.790 6.386 9.196 1.00 0.00 N ATOM 1043 NH2 ARG A 66 -8.613 6.368 11.483 1.00 0.00 N ATOM 0 H ARG A 66 -3.069 10.030 6.691 1.00 0.00 H new ATOM 0 HA ARG A 66 -3.404 7.427 7.440 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -4.661 9.601 8.100 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -5.722 9.253 6.750 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -6.236 7.021 7.763 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -5.228 7.434 9.136 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -6.772 9.608 9.206 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -7.885 8.588 8.316 1.00 0.00 H new ATOM 0 HE ARG A 66 -7.086 8.301 11.132 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -8.540 6.788 8.293 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -9.427 5.591 9.241 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -8.226 6.757 12.343 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -9.251 5.573 11.525 1.00 0.00 H new ATOM 1057 N ARG A 67 -5.158 7.974 4.681 1.00 0.00 N ATOM 1058 CA ARG A 67 -5.729 7.319 3.511 1.00 0.00 C ATOM 1059 C ARG A 67 -4.797 6.229 2.988 1.00 0.00 C ATOM 1060 O ARG A 67 -5.136 5.047 3.007 1.00 0.00 O ATOM 1061 CB ARG A 67 -6.002 8.343 2.408 1.00 0.00 C ATOM 1062 CG ARG A 67 -6.613 7.741 1.154 1.00 0.00 C ATOM 1063 CD ARG A 67 -7.463 8.755 0.406 1.00 0.00 C ATOM 1064 NE ARG A 67 -8.567 9.253 1.222 1.00 0.00 N ATOM 1065 CZ ARG A 67 -9.659 9.815 0.717 1.00 0.00 C ATOM 1066 NH1 ARG A 67 -9.795 9.948 -0.595 1.00 0.00 N ATOM 1067 NH2 ARG A 67 -10.621 10.243 1.526 1.00 0.00 N ATOM 0 H ARG A 67 -5.357 8.972 4.745 1.00 0.00 H new ATOM 0 HA ARG A 67 -6.670 6.857 3.809 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -6.672 9.111 2.795 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -5.067 8.838 2.145 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -5.820 7.377 0.501 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -7.225 6.880 1.423 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -6.838 9.591 0.093 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -7.860 8.297 -0.500 1.00 0.00 H new ATOM 0 HE ARG A 67 -8.495 9.164 2.236 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -9.060 9.618 -1.220 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -10.635 10.380 -0.979 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -10.521 10.140 2.536 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -11.460 10.675 1.138 1.00 0.00 H new ATOM 1081 N ALA A 68 -3.621 6.638 2.523 1.00 0.00 N ATOM 1082 CA ALA A 68 -2.639 5.697 1.996 1.00 0.00 C ATOM 1083 C ALA A 68 -2.427 4.531 2.956 1.00 0.00 C ATOM 1084 O ALA A 68 -2.638 3.373 2.597 1.00 0.00 O ATOM 1085 CB ALA A 68 -1.321 6.407 1.725 1.00 0.00 C ATOM 0 H ALA A 68 -3.325 7.614 2.500 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.022 5.296 1.058 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -0.597 5.693 1.332 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.479 7.202 0.996 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -0.941 6.836 2.652 1.00 0.00 H new ATOM 1091 N VAL A 69 -2.007 4.846 4.178 1.00 0.00 N ATOM 1092 CA VAL A 69 -1.765 3.823 5.188 1.00 0.00 C ATOM 1093 C VAL A 69 -2.817 2.722 5.118 1.00 0.00 C ATOM 1094 O VAL A 69 -2.501 1.565 4.836 1.00 0.00 O ATOM 1095 CB VAL A 69 -1.763 4.426 6.607 1.00 0.00 C ATOM 1096 CG1 VAL A 69 -1.846 3.327 7.655 1.00 0.00 C ATOM 1097 CG2 VAL A 69 -0.524 5.284 6.819 1.00 0.00 C ATOM 0 H VAL A 69 -1.828 5.800 4.491 1.00 0.00 H new ATOM 0 HA VAL A 69 -0.783 3.397 4.979 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.641 5.063 6.714 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -1.843 3.772 8.650 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -2.765 2.759 7.514 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.989 2.661 7.553 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.539 5.702 7.826 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.369 4.671 6.693 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.513 6.094 6.090 1.00 0.00 H new ATOM 1107 N ILE A 70 -4.068 3.089 5.377 1.00 0.00 N ATOM 1108 CA ILE A 70 -5.166 2.131 5.342 1.00 0.00 C ATOM 1109 C ILE A 70 -5.308 1.508 3.957 1.00 0.00 C ATOM 1110 O ILE A 70 -5.157 0.299 3.791 1.00 0.00 O ATOM 1111 CB ILE A 70 -6.501 2.791 5.735 1.00 0.00 C ATOM 1112 CG1 ILE A 70 -6.480 3.195 7.211 1.00 0.00 C ATOM 1113 CG2 ILE A 70 -7.661 1.848 5.454 1.00 0.00 C ATOM 1114 CD1 ILE A 70 -5.921 4.579 7.451 1.00 0.00 C ATOM 0 H ILE A 70 -4.346 4.042 5.613 1.00 0.00 H new ATOM 0 HA ILE A 70 -4.928 1.351 6.066 1.00 0.00 H new ATOM 0 HB ILE A 70 -6.636 3.690 5.134 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -7.495 3.148 7.606 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -5.887 2.471 7.769 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -8.597 2.329 5.737 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -7.684 1.606 4.391 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -7.534 0.933 6.032 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -5.937 4.798 8.519 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -4.895 4.625 7.086 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -6.528 5.313 6.921 1.00 0.00 H new ATOM 1126 N GLU A 71 -5.600 2.345 2.966 1.00 0.00 N ATOM 1127 CA GLU A 71 -5.761 1.876 1.594 1.00 0.00 C ATOM 1128 C GLU A 71 -4.796 0.733 1.293 1.00 0.00 C ATOM 1129 O GLU A 71 -5.122 -0.189 0.545 1.00 0.00 O ATOM 1130 CB GLU A 71 -5.533 3.024 0.608 1.00 0.00 C ATOM 1131 CG GLU A 71 -6.723 3.958 0.475 1.00 0.00 C ATOM 1132 CD GLU A 71 -7.902 3.304 -0.219 1.00 0.00 C ATOM 1133 OE1 GLU A 71 -7.724 2.811 -1.352 1.00 0.00 O ATOM 1134 OE2 GLU A 71 -9.003 3.286 0.371 1.00 0.00 O ATOM 0 H GLU A 71 -5.730 3.349 3.087 1.00 0.00 H new ATOM 0 HA GLU A 71 -6.780 1.507 1.481 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -4.664 3.599 0.928 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -5.297 2.609 -0.372 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -7.030 4.293 1.466 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -6.424 4.845 -0.083 1.00 0.00 H new ATOM 1141 N VAL A 72 -3.605 0.801 1.881 1.00 0.00 N ATOM 1142 CA VAL A 72 -2.592 -0.227 1.676 1.00 0.00 C ATOM 1143 C VAL A 72 -2.785 -1.389 2.645 1.00 0.00 C ATOM 1144 O VAL A 72 -3.007 -2.526 2.229 1.00 0.00 O ATOM 1145 CB VAL A 72 -1.171 0.341 1.850 1.00 0.00 C ATOM 1146 CG1 VAL A 72 -0.129 -0.709 1.499 1.00 0.00 C ATOM 1147 CG2 VAL A 72 -0.991 1.590 1.001 1.00 0.00 C ATOM 0 H VAL A 72 -3.319 1.557 2.503 1.00 0.00 H new ATOM 0 HA VAL A 72 -2.708 -0.586 0.653 1.00 0.00 H new ATOM 0 HB VAL A 72 -1.033 0.617 2.895 1.00 0.00 H new ATOM 0 HG11 VAL A 72 0.869 -0.289 1.628 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -0.247 -1.572 2.154 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -0.260 -1.020 0.463 1.00 0.00 H new ATOM 0 HG21 VAL A 72 0.018 1.979 1.135 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -1.148 1.342 -0.049 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -1.715 2.345 1.307 1.00 0.00 H new ATOM 1157 N GLN A 73 -2.699 -1.094 3.938 1.00 0.00 N ATOM 1158 CA GLN A 73 -2.864 -2.115 4.966 1.00 0.00 C ATOM 1159 C GLN A 73 -4.065 -3.004 4.662 1.00 0.00 C ATOM 1160 O GLN A 73 -4.149 -4.137 5.139 1.00 0.00 O ATOM 1161 CB GLN A 73 -3.031 -1.463 6.339 1.00 0.00 C ATOM 1162 CG GLN A 73 -1.716 -1.209 7.057 1.00 0.00 C ATOM 1163 CD GLN A 73 -1.875 -1.146 8.564 1.00 0.00 C ATOM 1164 OE1 GLN A 73 -2.664 -0.356 9.083 1.00 0.00 O ATOM 1165 NE2 GLN A 73 -1.125 -1.980 9.274 1.00 0.00 N ATOM 0 H GLN A 73 -2.516 -0.157 4.298 1.00 0.00 H new ATOM 0 HA GLN A 73 -1.968 -2.736 4.973 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -3.559 -0.517 6.221 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -3.657 -2.102 6.961 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -1.009 -1.999 6.803 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -1.288 -0.272 6.701 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -0.484 -2.618 8.802 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -1.189 -1.983 10.292 1.00 0.00 H new ATOM 1174 N THR A 74 -4.995 -2.485 3.867 1.00 0.00 N ATOM 1175 CA THR A 74 -6.191 -3.230 3.501 1.00 0.00 C ATOM 1176 C THR A 74 -5.833 -4.562 2.853 1.00 0.00 C ATOM 1177 O THR A 74 -6.423 -5.596 3.168 1.00 0.00 O ATOM 1178 CB THR A 74 -7.082 -2.425 2.535 1.00 0.00 C ATOM 1179 OG1 THR A 74 -7.479 -1.193 3.147 1.00 0.00 O ATOM 1180 CG2 THR A 74 -8.316 -3.224 2.144 1.00 0.00 C ATOM 0 H THR A 74 -4.942 -1.550 3.464 1.00 0.00 H new ATOM 0 HA THR A 74 -6.742 -3.414 4.423 1.00 0.00 H new ATOM 0 HB THR A 74 -6.505 -2.214 1.634 1.00 0.00 H new ATOM 0 HG1 THR A 74 -6.685 -0.649 3.332 1.00 0.00 H new ATOM 0 HG21 THR A 74 -8.930 -2.635 1.462 1.00 0.00 H new ATOM 0 HG22 THR A 74 -8.011 -4.148 1.652 1.00 0.00 H new ATOM 0 HG23 THR A 74 -8.893 -3.462 3.037 1.00 0.00 H new ATOM 1188 N LEU A 75 -4.862 -4.531 1.947 1.00 0.00 N ATOM 1189 CA LEU A 75 -4.424 -5.737 1.253 1.00 0.00 C ATOM 1190 C LEU A 75 -3.655 -6.658 2.196 1.00 0.00 C ATOM 1191 O LEU A 75 -4.083 -7.780 2.468 1.00 0.00 O ATOM 1192 CB LEU A 75 -3.547 -5.370 0.055 1.00 0.00 C ATOM 1193 CG LEU A 75 -4.285 -5.077 -1.252 1.00 0.00 C ATOM 1194 CD1 LEU A 75 -3.350 -4.427 -2.259 1.00 0.00 C ATOM 1195 CD2 LEU A 75 -4.884 -6.353 -1.824 1.00 0.00 C ATOM 0 H LEU A 75 -4.363 -3.684 1.676 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.310 -6.265 0.899 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -2.954 -4.494 0.319 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.847 -6.187 -0.121 1.00 0.00 H new ATOM 0 HG LEU A 75 -5.097 -4.382 -1.040 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.893 -4.226 -3.183 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.970 -3.491 -1.851 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.516 -5.098 -2.467 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.405 -6.125 -2.754 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.089 -7.072 -2.021 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.588 -6.777 -1.108 1.00 0.00 H new ATOM 1207 N ILE A 76 -2.521 -6.176 2.692 1.00 0.00 N ATOM 1208 CA ILE A 76 -1.697 -6.955 3.608 1.00 0.00 C ATOM 1209 C ILE A 76 -2.558 -7.802 4.539 1.00 0.00 C ATOM 1210 O ILE A 76 -2.199 -8.930 4.880 1.00 0.00 O ATOM 1211 CB ILE A 76 -0.785 -6.047 4.455 1.00 0.00 C ATOM 1212 CG1 ILE A 76 0.301 -5.418 3.579 1.00 0.00 C ATOM 1213 CG2 ILE A 76 -0.161 -6.839 5.594 1.00 0.00 C ATOM 1214 CD1 ILE A 76 -0.115 -4.105 2.953 1.00 0.00 C ATOM 0 H ILE A 76 -2.152 -5.250 2.475 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.077 -7.610 2.995 1.00 0.00 H new ATOM 0 HB ILE A 76 -1.389 -5.247 4.882 1.00 0.00 H new ATOM 0 HG12 ILE A 76 1.195 -5.257 4.182 1.00 0.00 H new ATOM 0 HG13 ILE A 76 0.571 -6.119 2.789 1.00 0.00 H new ATOM 0 HG21 ILE A 76 0.481 -6.184 6.184 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -0.948 -7.244 6.230 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.432 -7.657 5.186 1.00 0.00 H new ATOM 0 HD11 ILE A 76 0.703 -3.716 2.346 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.991 -4.263 2.324 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -0.357 -3.388 3.738 1.00 0.00 H new ATOM 1226 N THR A 77 -3.697 -7.252 4.946 1.00 0.00 N ATOM 1227 CA THR A 77 -4.611 -7.958 5.836 1.00 0.00 C ATOM 1228 C THR A 77 -5.366 -9.053 5.093 1.00 0.00 C ATOM 1229 O THR A 77 -5.521 -10.165 5.598 1.00 0.00 O ATOM 1230 CB THR A 77 -5.626 -6.992 6.478 1.00 0.00 C ATOM 1231 OG1 THR A 77 -4.938 -5.920 7.130 1.00 0.00 O ATOM 1232 CG2 THR A 77 -6.505 -7.722 7.481 1.00 0.00 C ATOM 0 H THR A 77 -4.009 -6.320 4.674 1.00 0.00 H new ATOM 0 HA THR A 77 -4.004 -8.410 6.621 1.00 0.00 H new ATOM 0 HB THR A 77 -6.260 -6.588 5.689 1.00 0.00 H new ATOM 0 HG1 THR A 77 -4.627 -5.276 6.460 1.00 0.00 H new ATOM 0 HG21 THR A 77 -7.214 -7.021 7.922 1.00 0.00 H new ATOM 0 HG22 THR A 77 -7.050 -8.519 6.975 1.00 0.00 H new ATOM 0 HG23 THR A 77 -5.882 -8.150 8.266 1.00 0.00 H new ATOM 1240 N TYR A 78 -5.835 -8.732 3.892 1.00 0.00 N ATOM 1241 CA TYR A 78 -6.576 -9.689 3.081 1.00 0.00 C ATOM 1242 C TYR A 78 -5.698 -10.878 2.701 1.00 0.00 C ATOM 1243 O TYR A 78 -6.191 -11.987 2.495 1.00 0.00 O ATOM 1244 CB TYR A 78 -7.111 -9.012 1.818 1.00 0.00 C ATOM 1245 CG TYR A 78 -7.381 -9.974 0.683 1.00 0.00 C ATOM 1246 CD1 TYR A 78 -8.567 -10.696 0.624 1.00 0.00 C ATOM 1247 CD2 TYR A 78 -6.450 -10.161 -0.332 1.00 0.00 C ATOM 1248 CE1 TYR A 78 -8.817 -11.576 -0.410 1.00 0.00 C ATOM 1249 CE2 TYR A 78 -6.692 -11.038 -1.371 1.00 0.00 C ATOM 1250 CZ TYR A 78 -7.877 -11.745 -1.406 1.00 0.00 C ATOM 1251 OH TYR A 78 -8.122 -12.620 -2.438 1.00 0.00 O ATOM 0 H TYR A 78 -5.715 -7.816 3.459 1.00 0.00 H new ATOM 0 HA TYR A 78 -7.415 -10.055 3.673 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -8.032 -8.483 2.062 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -6.392 -8.263 1.485 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -9.306 -10.566 1.401 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -5.521 -9.611 -0.308 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -9.744 -12.130 -0.439 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -5.958 -11.170 -2.152 1.00 0.00 H new ATOM 0 HH TYR A 78 -7.360 -12.620 -3.055 1.00 0.00 H new ATOM 1261 N ILE A 79 -4.394 -10.637 2.612 1.00 0.00 N ATOM 1262 CA ILE A 79 -3.447 -11.686 2.259 1.00 0.00 C ATOM 1263 C ILE A 79 -3.272 -12.677 3.406 1.00 0.00 C ATOM 1264 O ILE A 79 -3.254 -13.890 3.194 1.00 0.00 O ATOM 1265 CB ILE A 79 -2.071 -11.102 1.887 1.00 0.00 C ATOM 1266 CG1 ILE A 79 -2.225 -10.027 0.808 1.00 0.00 C ATOM 1267 CG2 ILE A 79 -1.137 -12.205 1.415 1.00 0.00 C ATOM 1268 CD1 ILE A 79 -0.998 -9.158 0.643 1.00 0.00 C ATOM 0 H ILE A 79 -3.970 -9.725 2.780 1.00 0.00 H new ATOM 0 HA ILE A 79 -3.859 -12.204 1.393 1.00 0.00 H new ATOM 0 HB ILE A 79 -1.636 -10.641 2.774 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -2.450 -10.508 -0.144 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -3.078 -9.395 1.055 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -0.169 -11.776 1.156 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -1.008 -12.938 2.211 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -1.564 -12.693 0.539 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.178 -8.419 -0.138 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -0.784 -8.649 1.583 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -0.147 -9.779 0.365 1.00 0.00 H new ATOM 1280 N ASP A 80 -3.143 -12.152 4.619 1.00 0.00 N ATOM 1281 CA ASP A 80 -2.973 -12.990 5.800 1.00 0.00 C ATOM 1282 C ASP A 80 -4.166 -13.924 5.981 1.00 0.00 C ATOM 1283 O ASP A 80 -4.003 -15.136 6.122 1.00 0.00 O ATOM 1284 CB ASP A 80 -2.795 -12.121 7.047 1.00 0.00 C ATOM 1285 CG ASP A 80 -2.212 -12.894 8.213 1.00 0.00 C ATOM 1286 OD1 ASP A 80 -2.486 -14.108 8.317 1.00 0.00 O ATOM 1287 OD2 ASP A 80 -1.479 -12.286 9.021 1.00 0.00 O ATOM 0 H ASP A 80 -3.153 -11.150 4.810 1.00 0.00 H new ATOM 0 HA ASP A 80 -2.079 -13.597 5.659 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -2.143 -11.280 6.810 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -3.760 -11.705 7.337 1.00 0.00 H new ATOM 1292 N LEU A 81 -5.364 -13.350 5.979 1.00 0.00 N ATOM 1293 CA LEU A 81 -6.586 -14.130 6.144 1.00 0.00 C ATOM 1294 C LEU A 81 -6.585 -15.346 5.223 1.00 0.00 C ATOM 1295 O LEU A 81 -6.883 -16.462 5.647 1.00 0.00 O ATOM 1296 CB LEU A 81 -7.812 -13.261 5.860 1.00 0.00 C ATOM 1297 CG LEU A 81 -8.392 -12.507 7.057 1.00 0.00 C ATOM 1298 CD1 LEU A 81 -7.579 -11.255 7.345 1.00 0.00 C ATOM 1299 CD2 LEU A 81 -9.851 -12.152 6.807 1.00 0.00 C ATOM 0 H LEU A 81 -5.516 -12.348 5.865 1.00 0.00 H new ATOM 0 HA LEU A 81 -6.628 -14.479 7.176 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -7.547 -12.534 5.092 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -8.594 -13.896 5.442 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.341 -13.157 7.931 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -8.007 -10.732 8.200 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.549 -11.533 7.568 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -7.597 -10.601 6.473 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.248 -11.616 7.669 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.925 -11.521 5.921 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.426 -13.065 6.651 1.00 0.00 H new ATOM 1311 N LYS A 82 -6.246 -15.122 3.958 1.00 0.00 N ATOM 1312 CA LYS A 82 -6.202 -16.197 2.975 1.00 0.00 C ATOM 1313 C LYS A 82 -5.154 -17.240 3.354 1.00 0.00 C ATOM 1314 O LYS A 82 -5.491 -18.368 3.712 1.00 0.00 O ATOM 1315 CB LYS A 82 -5.895 -15.634 1.584 1.00 0.00 C ATOM 1316 CG LYS A 82 -7.123 -15.131 0.847 1.00 0.00 C ATOM 1317 CD LYS A 82 -8.033 -16.275 0.433 1.00 0.00 C ATOM 1318 CE LYS A 82 -9.142 -15.799 -0.493 1.00 0.00 C ATOM 1319 NZ LYS A 82 -10.335 -16.687 -0.432 1.00 0.00 N ATOM 0 H LYS A 82 -5.997 -14.204 3.589 1.00 0.00 H new ATOM 0 HA LYS A 82 -7.180 -16.678 2.958 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -5.180 -14.817 1.682 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -5.414 -16.408 0.986 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -7.674 -14.440 1.485 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -6.815 -14.572 -0.037 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -7.446 -17.045 -0.067 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -8.470 -16.733 1.320 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -9.431 -14.784 -0.222 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -8.769 -15.761 -1.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -11.068 -16.329 -1.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -10.065 -17.651 -0.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -10.706 -16.703 0.539 1.00 0.00 H new ATOM 1333 N GLU A 83 -3.885 -16.852 3.277 1.00 0.00 N ATOM 1334 CA GLU A 83 -2.791 -17.754 3.614 1.00 0.00 C ATOM 1335 C GLU A 83 -3.154 -18.627 4.812 1.00 0.00 C ATOM 1336 O GLU A 83 -3.054 -19.853 4.754 1.00 0.00 O ATOM 1337 CB GLU A 83 -1.519 -16.958 3.917 1.00 0.00 C ATOM 1338 CG GLU A 83 -0.674 -16.671 2.687 1.00 0.00 C ATOM 1339 CD GLU A 83 0.233 -17.829 2.319 1.00 0.00 C ATOM 1340 OE1 GLU A 83 0.651 -18.568 3.234 1.00 0.00 O ATOM 1341 OE2 GLU A 83 0.526 -17.995 1.116 1.00 0.00 O ATOM 0 H GLU A 83 -3.590 -15.920 2.985 1.00 0.00 H new ATOM 0 HA GLU A 83 -2.611 -18.401 2.756 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -1.794 -16.014 4.387 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -0.918 -17.510 4.640 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -1.329 -16.446 1.845 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -0.068 -15.783 2.866 1.00 0.00 H new ATOM 1348 N SER A 84 -3.576 -17.986 5.897 1.00 0.00 N ATOM 1349 CA SER A 84 -3.950 -18.702 7.111 1.00 0.00 C ATOM 1350 C SER A 84 -5.459 -18.654 7.327 1.00 0.00 C ATOM 1351 O SER A 84 -5.980 -17.727 7.948 1.00 0.00 O ATOM 1352 CB SER A 84 -3.231 -18.107 8.323 1.00 0.00 C ATOM 1353 OG SER A 84 -3.019 -19.088 9.323 1.00 0.00 O ATOM 0 H SER A 84 -3.668 -16.972 5.960 1.00 0.00 H new ATOM 0 HA SER A 84 -3.650 -19.743 6.995 1.00 0.00 H new ATOM 0 HB2 SER A 84 -2.274 -17.687 8.012 1.00 0.00 H new ATOM 0 HB3 SER A 84 -3.821 -17.287 8.733 1.00 0.00 H new ATOM 0 HG SER A 84 -2.556 -18.683 10.086 1.00 0.00 H new ATOM 1359 N GLY A 85 -6.158 -19.660 6.809 1.00 0.00 N ATOM 1360 CA GLY A 85 -7.601 -19.714 6.955 1.00 0.00 C ATOM 1361 C GLY A 85 -8.064 -19.243 8.320 1.00 0.00 C ATOM 1362 O GLY A 85 -7.391 -19.444 9.330 1.00 0.00 O ATOM 0 H GLY A 85 -5.750 -20.438 6.291 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -8.064 -19.097 6.185 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -7.942 -20.737 6.792 1.00 0.00 H new ATOM 1366 N PRO A 86 -9.239 -18.598 8.359 1.00 0.00 N ATOM 1367 CA PRO A 86 -9.817 -18.082 9.604 1.00 0.00 C ATOM 1368 C PRO A 86 -10.286 -19.199 10.532 1.00 0.00 C ATOM 1369 O PRO A 86 -10.928 -20.153 10.094 1.00 0.00 O ATOM 1370 CB PRO A 86 -11.008 -17.250 9.124 1.00 0.00 C ATOM 1371 CG PRO A 86 -11.380 -17.843 7.809 1.00 0.00 C ATOM 1372 CD PRO A 86 -10.095 -18.322 7.193 1.00 0.00 C ATOM 0 HA PRO A 86 -9.091 -17.515 10.186 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -11.837 -17.301 9.830 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -10.741 -16.198 9.022 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -12.082 -18.667 7.937 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -11.867 -17.105 7.172 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -10.248 -19.215 6.587 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -9.655 -17.566 6.542 1.00 0.00 H new ATOM 1380 N SER A 87 -9.961 -19.072 11.814 1.00 0.00 N ATOM 1381 CA SER A 87 -10.347 -20.072 12.803 1.00 0.00 C ATOM 1382 C SER A 87 -10.476 -19.445 14.188 1.00 0.00 C ATOM 1383 O SER A 87 -9.612 -18.680 14.618 1.00 0.00 O ATOM 1384 CB SER A 87 -9.322 -21.207 12.838 1.00 0.00 C ATOM 1385 OG SER A 87 -9.126 -21.756 11.546 1.00 0.00 O ATOM 0 H SER A 87 -9.431 -18.287 12.193 1.00 0.00 H new ATOM 0 HA SER A 87 -11.317 -20.477 12.515 1.00 0.00 H new ATOM 0 HB2 SER A 87 -8.374 -20.834 13.226 1.00 0.00 H new ATOM 0 HB3 SER A 87 -9.661 -21.986 13.520 1.00 0.00 H new ATOM 0 HG SER A 87 -8.466 -22.478 11.594 1.00 0.00 H new ATOM 1391 N SER A 88 -11.560 -19.775 14.881 1.00 0.00 N ATOM 1392 CA SER A 88 -11.807 -19.242 16.216 1.00 0.00 C ATOM 1393 C SER A 88 -10.799 -19.800 17.218 1.00 0.00 C ATOM 1394 O SER A 88 -10.858 -20.972 17.586 1.00 0.00 O ATOM 1395 CB SER A 88 -13.230 -19.576 16.668 1.00 0.00 C ATOM 1396 OG SER A 88 -13.518 -18.986 17.923 1.00 0.00 O ATOM 0 H SER A 88 -12.282 -20.410 14.540 1.00 0.00 H new ATOM 0 HA SER A 88 -11.692 -18.159 16.175 1.00 0.00 H new ATOM 0 HB2 SER A 88 -13.944 -19.222 15.924 1.00 0.00 H new ATOM 0 HB3 SER A 88 -13.349 -20.657 16.735 1.00 0.00 H new ATOM 0 HG SER A 88 -14.434 -19.213 18.189 1.00 0.00 H new ATOM 1402 N GLY A 89 -9.874 -18.950 17.652 1.00 0.00 N ATOM 1403 CA GLY A 89 -8.866 -19.375 18.606 1.00 0.00 C ATOM 1404 C GLY A 89 -8.055 -20.553 18.106 1.00 0.00 C ATOM 1405 O GLY A 89 -6.994 -20.861 18.650 1.00 0.00 O ATOM 0 H GLY A 89 -9.804 -17.975 17.360 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -8.197 -18.541 18.819 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -9.349 -19.643 19.545 1.00 0.00 H new TER 1409 GLY A 89