USER MOD reduce.3.24.130724 H: found=0, std=0, add=572, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 573 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 51 MET CE :methyl -107:sc= -2.47 (180deg=-5.7!) USER MOD Set 1.2: A 56 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 41 THR OG1 : rot -109:sc= -0.286 USER MOD Set 2.2: A 48 GLN : amide:sc= -6.22! C(o=-14!,f=-25!) USER MOD Set 2.3: A 75 MET CE :methyl -115:sc= -7.7! (180deg=-11.7!) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 162:sc= -0.0117 (180deg=-0.591) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -156:sc= -0.0366 (180deg=-0.763) USER MOD Single : A 25 ASN : amide:sc= -1.85 K(o=-1.9,f=-5.8!) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.0818 USER MOD Single : A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -169:sc= -2.87! (180deg=-3.08!) USER MOD Single : A 36 GLN : amide:sc= -8.16! C(o=-8.2!,f=-15!) USER MOD Single : A 44 GLN : amide:sc= -0.162 K(o=-0.16,f=-7.4!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -0.179 K(o=-0.18,f=-1.7) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 MET CE :methyl 177:sc= -1.01 (180deg=-1.03) USER MOD Single : A 68 LYS NZ :NH3+ -106:sc= -0.193 (180deg=-2.34!) USER MOD Single : A 69 ASN : amide:sc= -2.61 K(o=-2.6,f=-5.1!) USER MOD Single : A 71 MET CE :methyl 146:sc= -0.171 (180deg=-1.21) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 MET CE :methyl 179:sc= 0 (180deg=-0.000316) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -6.054 3.480 -14.059 1.00 0.00 N ATOM 60 CA GLY A 7 -5.664 3.904 -12.725 1.00 0.00 C ATOM 61 C GLY A 7 -6.867 3.917 -11.780 1.00 0.00 C ATOM 62 O GLY A 7 -7.893 4.524 -12.085 1.00 0.00 O ATOM 0 HA2 GLY A 7 -4.898 3.233 -12.336 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.222 4.899 -12.771 1.00 0.00 H new ATOM 66 N TYR A 8 -6.702 3.241 -10.653 1.00 0.00 N ATOM 67 CA TYR A 8 -7.762 3.168 -9.662 1.00 0.00 C ATOM 68 C TYR A 8 -7.366 3.904 -8.380 1.00 0.00 C ATOM 69 O TYR A 8 -6.180 4.068 -8.095 1.00 0.00 O ATOM 70 CB TYR A 8 -7.944 1.682 -9.347 1.00 0.00 C ATOM 71 CG TYR A 8 -8.645 0.893 -10.455 1.00 0.00 C ATOM 72 CD1 TYR A 8 -7.912 0.370 -11.500 1.00 0.00 C ATOM 73 CD2 TYR A 8 -10.011 0.704 -10.408 1.00 0.00 C ATOM 74 CE1 TYR A 8 -8.572 -0.373 -12.542 1.00 0.00 C ATOM 75 CE2 TYR A 8 -10.672 -0.038 -11.450 1.00 0.00 C ATOM 76 CZ TYR A 8 -9.919 -0.540 -12.466 1.00 0.00 C ATOM 77 OH TYR A 8 -10.543 -1.242 -13.450 1.00 0.00 O ATOM 0 H TYR A 8 -5.850 2.739 -10.404 1.00 0.00 H new ATOM 0 HA TYR A 8 -8.674 3.630 -10.041 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -6.966 1.238 -9.162 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -8.518 1.584 -8.426 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -6.843 0.518 -11.537 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -10.585 1.113 -9.589 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -8.010 -0.788 -13.365 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -11.741 -0.192 -11.426 1.00 0.00 H new ATOM 0 HH TYR A 8 -11.504 -1.282 -13.264 1.00 0.00 H new ATOM 87 N SER A 9 -8.381 4.326 -7.640 1.00 0.00 N ATOM 88 CA SER A 9 -8.153 5.040 -6.395 1.00 0.00 C ATOM 89 C SER A 9 -8.682 4.220 -5.217 1.00 0.00 C ATOM 90 O SER A 9 -9.882 3.964 -5.124 1.00 0.00 O ATOM 91 CB SER A 9 -8.816 6.419 -6.422 1.00 0.00 C ATOM 92 OG SER A 9 -9.131 6.834 -7.748 1.00 0.00 O ATOM 0 H SER A 9 -9.363 4.187 -7.879 1.00 0.00 H new ATOM 0 HA SER A 9 -7.079 5.185 -6.275 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.727 6.395 -5.824 1.00 0.00 H new ATOM 0 HB3 SER A 9 -8.151 7.150 -5.962 1.00 0.00 H new ATOM 0 HG SER A 9 -9.554 7.718 -7.722 1.00 0.00 H new ATOM 98 N VAL A 10 -7.762 3.830 -4.348 1.00 0.00 N ATOM 99 CA VAL A 10 -8.121 3.044 -3.180 1.00 0.00 C ATOM 100 C VAL A 10 -7.630 3.759 -1.919 1.00 0.00 C ATOM 101 O VAL A 10 -6.944 4.777 -2.005 1.00 0.00 O ATOM 102 CB VAL A 10 -7.568 1.624 -3.315 1.00 0.00 C ATOM 103 CG1 VAL A 10 -8.066 0.962 -4.602 1.00 0.00 C ATOM 104 CG2 VAL A 10 -6.040 1.622 -3.254 1.00 0.00 C ATOM 0 H VAL A 10 -6.768 4.044 -4.429 1.00 0.00 H new ATOM 0 HA VAL A 10 -9.204 2.951 -3.100 1.00 0.00 H new ATOM 0 HB VAL A 10 -7.937 1.040 -2.472 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -7.658 -0.046 -4.674 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -9.155 0.913 -4.588 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -7.740 1.547 -5.462 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -5.673 0.600 -3.352 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -5.643 2.230 -4.067 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -5.713 2.034 -2.299 1.00 0.00 H new ATOM 114 N THR A 11 -8.000 3.198 -0.777 1.00 0.00 N ATOM 115 CA THR A 11 -7.606 3.768 0.499 1.00 0.00 C ATOM 116 C THR A 11 -6.729 2.784 1.276 1.00 0.00 C ATOM 117 O THR A 11 -7.116 1.635 1.485 1.00 0.00 O ATOM 118 CB THR A 11 -8.877 4.173 1.249 1.00 0.00 C ATOM 119 OG1 THR A 11 -9.186 5.466 0.737 1.00 0.00 O ATOM 120 CG2 THR A 11 -8.627 4.412 2.739 1.00 0.00 C ATOM 0 H THR A 11 -8.569 2.354 -0.709 1.00 0.00 H new ATOM 0 HA THR A 11 -6.995 4.660 0.361 1.00 0.00 H new ATOM 0 HB THR A 11 -9.632 3.396 1.128 1.00 0.00 H new ATOM 0 HG1 THR A 11 -9.999 5.803 1.169 1.00 0.00 H new ATOM 0 HG21 THR A 11 -9.561 4.697 3.224 1.00 0.00 H new ATOM 0 HG22 THR A 11 -8.245 3.498 3.195 1.00 0.00 H new ATOM 0 HG23 THR A 11 -7.896 5.211 2.862 1.00 0.00 H new ATOM 128 N VAL A 12 -5.566 3.270 1.683 1.00 0.00 N ATOM 129 CA VAL A 12 -4.632 2.447 2.432 1.00 0.00 C ATOM 130 C VAL A 12 -4.924 2.584 3.928 1.00 0.00 C ATOM 131 O VAL A 12 -4.849 3.680 4.481 1.00 0.00 O ATOM 132 CB VAL A 12 -3.194 2.823 2.067 1.00 0.00 C ATOM 133 CG1 VAL A 12 -2.213 2.346 3.140 1.00 0.00 C ATOM 134 CG2 VAL A 12 -2.815 2.269 0.692 1.00 0.00 C ATOM 0 H VAL A 12 -5.249 4.224 1.508 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.755 1.396 2.171 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.134 3.910 2.018 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.199 2.626 2.856 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.464 2.810 4.094 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.277 1.262 3.235 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.789 2.550 0.457 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.900 1.182 0.701 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.486 2.679 -0.063 1.00 0.00 H new ATOM 144 N LYS A 13 -5.251 1.456 4.540 1.00 0.00 N ATOM 145 CA LYS A 13 -5.554 1.436 5.961 1.00 0.00 C ATOM 146 C LYS A 13 -4.422 0.730 6.710 1.00 0.00 C ATOM 147 O LYS A 13 -4.181 -0.458 6.501 1.00 0.00 O ATOM 148 CB LYS A 13 -6.933 0.818 6.205 1.00 0.00 C ATOM 149 CG LYS A 13 -7.949 1.888 6.612 1.00 0.00 C ATOM 150 CD LYS A 13 -9.359 1.301 6.695 1.00 0.00 C ATOM 151 CE LYS A 13 -9.493 0.364 7.898 1.00 0.00 C ATOM 152 NZ LYS A 13 -10.227 -0.864 7.518 1.00 0.00 N ATOM 0 H LYS A 13 -5.313 0.549 4.078 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.611 2.451 6.353 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -7.274 0.313 5.302 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -6.863 0.061 6.987 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -7.670 2.311 7.577 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -7.933 2.704 5.889 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -10.088 2.107 6.774 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -9.585 0.756 5.778 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -8.504 0.102 8.275 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -10.018 0.873 8.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -10.052 -1.606 8.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -11.246 -0.660 7.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -9.899 -1.190 6.586 1.00 0.00 H new ATOM 166 N TRP A 14 -3.759 1.491 7.567 1.00 0.00 N ATOM 167 CA TRP A 14 -2.658 0.954 8.349 1.00 0.00 C ATOM 168 C TRP A 14 -2.971 1.185 9.829 1.00 0.00 C ATOM 169 O TRP A 14 -2.692 2.256 10.366 1.00 0.00 O ATOM 170 CB TRP A 14 -1.326 1.571 7.917 1.00 0.00 C ATOM 171 CG TRP A 14 -0.097 0.865 8.493 1.00 0.00 C ATOM 172 CD1 TRP A 14 0.141 -0.452 8.563 1.00 0.00 C ATOM 173 CD2 TRP A 14 1.060 1.496 9.082 1.00 0.00 C ATOM 174 NE1 TRP A 14 1.361 -0.715 9.151 1.00 0.00 N ATOM 175 CE2 TRP A 14 1.938 0.507 9.477 1.00 0.00 C ATOM 176 CE3 TRP A 14 1.354 2.857 9.274 1.00 0.00 C ATOM 177 CZ2 TRP A 14 3.168 0.775 10.088 1.00 0.00 C ATOM 178 CZ3 TRP A 14 2.588 3.108 9.887 1.00 0.00 C ATOM 179 CH2 TRP A 14 3.483 2.124 10.290 1.00 0.00 C ATOM 0 H TRP A 14 -3.963 2.476 7.738 1.00 0.00 H new ATOM 0 HA TRP A 14 -2.552 -0.117 8.179 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -1.265 1.554 6.829 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -1.307 2.618 8.221 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -0.537 -1.212 8.204 1.00 0.00 H new ATOM 0 HE1 TRP A 14 1.765 -1.637 9.316 1.00 0.00 H new ATOM 0 HE3 TRP A 14 0.682 3.647 8.973 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 3.839 -0.017 10.388 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 2.863 4.138 10.059 1.00 0.00 H new ATOM 0 HH2 TRP A 14 4.417 2.399 10.757 1.00 0.00 H new ATOM 190 N GLY A 15 -3.548 0.164 10.445 1.00 0.00 N ATOM 191 CA GLY A 15 -3.902 0.242 11.852 1.00 0.00 C ATOM 192 C GLY A 15 -4.388 1.646 12.218 1.00 0.00 C ATOM 193 O GLY A 15 -5.230 2.216 11.525 1.00 0.00 O ATOM 0 H GLY A 15 -3.779 -0.722 9.995 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -4.682 -0.486 12.075 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -3.038 -0.018 12.463 1.00 0.00 H new ATOM 197 N LYS A 16 -3.836 2.164 13.305 1.00 0.00 N ATOM 198 CA LYS A 16 -4.203 3.490 13.771 1.00 0.00 C ATOM 199 C LYS A 16 -4.011 4.497 12.635 1.00 0.00 C ATOM 200 O LYS A 16 -4.789 5.440 12.498 1.00 0.00 O ATOM 201 CB LYS A 16 -3.429 3.844 15.043 1.00 0.00 C ATOM 202 CG LYS A 16 -4.321 4.589 16.038 1.00 0.00 C ATOM 203 CD LYS A 16 -3.480 5.342 17.072 1.00 0.00 C ATOM 204 CE LYS A 16 -4.226 6.571 17.595 1.00 0.00 C ATOM 205 NZ LYS A 16 -4.541 6.412 19.033 1.00 0.00 N ATOM 0 H LYS A 16 -3.137 1.689 13.877 1.00 0.00 H new ATOM 0 HA LYS A 16 -5.257 3.518 14.048 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -3.045 2.934 15.504 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.567 4.461 14.789 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.961 5.291 15.503 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.978 3.881 16.544 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.238 4.678 17.902 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.535 5.649 16.624 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.618 7.464 17.446 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -5.146 6.714 17.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -5.047 7.255 19.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -5.139 5.572 19.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.658 6.298 19.571 1.00 0.00 H new ATOM 219 N GLU A 17 -2.971 4.261 11.848 1.00 0.00 N ATOM 220 CA GLU A 17 -2.668 5.135 10.728 1.00 0.00 C ATOM 221 C GLU A 17 -3.729 4.986 9.636 1.00 0.00 C ATOM 222 O GLU A 17 -4.265 3.899 9.431 1.00 0.00 O ATOM 223 CB GLU A 17 -1.269 4.853 10.176 1.00 0.00 C ATOM 224 CG GLU A 17 -0.189 5.317 11.156 1.00 0.00 C ATOM 225 CD GLU A 17 -0.362 6.797 11.502 1.00 0.00 C ATOM 226 OE1 GLU A 17 -0.657 7.569 10.564 1.00 0.00 O ATOM 227 OE2 GLU A 17 -0.195 7.123 12.697 1.00 0.00 O ATOM 0 H GLU A 17 -2.328 3.478 11.964 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.682 6.166 11.082 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.158 3.786 9.985 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.142 5.362 9.221 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.238 4.719 12.066 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.797 5.155 10.720 1.00 0.00 H new ATOM 234 N LYS A 18 -3.999 6.095 8.962 1.00 0.00 N ATOM 235 CA LYS A 18 -4.986 6.101 7.896 1.00 0.00 C ATOM 236 C LYS A 18 -4.430 6.870 6.696 1.00 0.00 C ATOM 237 O LYS A 18 -3.758 7.887 6.863 1.00 0.00 O ATOM 238 CB LYS A 18 -6.323 6.642 8.407 1.00 0.00 C ATOM 239 CG LYS A 18 -7.360 6.691 7.283 1.00 0.00 C ATOM 240 CD LYS A 18 -8.730 6.225 7.780 1.00 0.00 C ATOM 241 CE LYS A 18 -8.868 4.706 7.662 1.00 0.00 C ATOM 242 NZ LYS A 18 -10.091 4.242 8.353 1.00 0.00 N ATOM 0 H LYS A 18 -3.551 6.995 9.134 1.00 0.00 H new ATOM 0 HA LYS A 18 -5.188 5.085 7.558 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -6.689 6.011 9.217 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -6.181 7.641 8.820 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -7.436 7.708 6.897 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -7.035 6.060 6.456 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -8.866 6.527 8.819 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -9.515 6.711 7.201 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -8.906 4.419 6.611 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -7.993 4.221 8.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -9.980 3.244 8.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -10.246 4.816 9.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.908 4.340 7.717 1.00 0.00 H new ATOM 256 N PHE A 19 -4.729 6.355 5.513 1.00 0.00 N ATOM 257 CA PHE A 19 -4.267 6.980 4.286 1.00 0.00 C ATOM 258 C PHE A 19 -5.379 7.014 3.235 1.00 0.00 C ATOM 259 O PHE A 19 -5.813 5.970 2.751 1.00 0.00 O ATOM 260 CB PHE A 19 -3.110 6.130 3.758 1.00 0.00 C ATOM 261 CG PHE A 19 -1.917 6.043 4.712 1.00 0.00 C ATOM 262 CD1 PHE A 19 -1.043 7.080 4.805 1.00 0.00 C ATOM 263 CD2 PHE A 19 -1.731 4.927 5.468 1.00 0.00 C ATOM 264 CE1 PHE A 19 0.064 6.999 5.690 1.00 0.00 C ATOM 265 CE2 PHE A 19 -0.623 4.846 6.353 1.00 0.00 C ATOM 266 CZ PHE A 19 0.251 5.884 6.446 1.00 0.00 C ATOM 0 H PHE A 19 -5.286 5.511 5.378 1.00 0.00 H new ATOM 0 HA PHE A 19 -3.960 8.007 4.485 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -3.475 5.123 3.556 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.773 6.544 2.808 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -1.191 7.966 4.205 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -2.426 4.103 5.395 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.758 7.823 5.763 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -0.474 3.960 6.952 1.00 0.00 H new ATOM 0 HZ PHE A 19 1.093 5.823 7.120 1.00 0.00 H new ATOM 276 N GLU A 20 -5.810 8.226 2.914 1.00 0.00 N ATOM 277 CA GLU A 20 -6.863 8.409 1.930 1.00 0.00 C ATOM 278 C GLU A 20 -6.341 9.213 0.738 1.00 0.00 C ATOM 279 O GLU A 20 -5.852 10.330 0.903 1.00 0.00 O ATOM 280 CB GLU A 20 -8.085 9.086 2.555 1.00 0.00 C ATOM 281 CG GLU A 20 -8.591 8.296 3.763 1.00 0.00 C ATOM 282 CD GLU A 20 -10.016 8.712 4.132 1.00 0.00 C ATOM 283 OE1 GLU A 20 -10.169 9.860 4.601 1.00 0.00 O ATOM 284 OE2 GLU A 20 -10.921 7.872 3.936 1.00 0.00 O ATOM 0 H GLU A 20 -5.449 9.090 3.318 1.00 0.00 H new ATOM 0 HA GLU A 20 -7.175 7.428 1.573 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -7.827 10.100 2.861 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -8.878 9.170 1.812 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -8.566 7.229 3.541 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -7.929 8.460 4.613 1.00 0.00 H new ATOM 291 N GLY A 21 -6.462 8.614 -0.438 1.00 0.00 N ATOM 292 CA GLY A 21 -6.009 9.260 -1.658 1.00 0.00 C ATOM 293 C GLY A 21 -4.687 8.657 -2.139 1.00 0.00 C ATOM 294 O GLY A 21 -3.722 9.381 -2.381 1.00 0.00 O ATOM 0 H GLY A 21 -6.868 7.688 -0.572 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -6.766 9.151 -2.434 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -5.883 10.328 -1.483 1.00 0.00 H new ATOM 298 N VAL A 22 -4.687 7.338 -2.264 1.00 0.00 N ATOM 299 CA VAL A 22 -3.500 6.630 -2.712 1.00 0.00 C ATOM 300 C VAL A 22 -3.650 6.278 -4.193 1.00 0.00 C ATOM 301 O VAL A 22 -4.701 5.801 -4.618 1.00 0.00 O ATOM 302 CB VAL A 22 -3.257 5.404 -1.829 1.00 0.00 C ATOM 303 CG1 VAL A 22 -2.083 4.575 -2.352 1.00 0.00 C ATOM 304 CG2 VAL A 22 -3.033 5.814 -0.372 1.00 0.00 C ATOM 0 H VAL A 22 -5.490 6.741 -2.063 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.619 7.264 -2.615 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.150 4.781 -1.868 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.932 3.710 -1.706 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.299 4.238 -3.366 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.180 5.186 -2.357 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.863 4.924 0.234 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.164 6.469 -0.308 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.913 6.341 -0.003 1.00 0.00 H new ATOM 314 N GLU A 23 -2.584 6.528 -4.939 1.00 0.00 N ATOM 315 CA GLU A 23 -2.584 6.244 -6.364 1.00 0.00 C ATOM 316 C GLU A 23 -2.278 4.766 -6.611 1.00 0.00 C ATOM 317 O GLU A 23 -1.335 4.220 -6.039 1.00 0.00 O ATOM 318 CB GLU A 23 -1.588 7.141 -7.102 1.00 0.00 C ATOM 319 CG GLU A 23 -2.221 8.488 -7.456 1.00 0.00 C ATOM 320 CD GLU A 23 -2.039 8.806 -8.942 1.00 0.00 C ATOM 321 OE1 GLU A 23 -2.756 8.176 -9.749 1.00 0.00 O ATOM 322 OE2 GLU A 23 -1.187 9.671 -9.237 1.00 0.00 O ATOM 0 H GLU A 23 -1.714 6.924 -4.583 1.00 0.00 H new ATOM 0 HA GLU A 23 -3.577 6.460 -6.757 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.707 7.301 -6.480 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.250 6.644 -8.011 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.283 8.470 -7.212 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -1.769 9.276 -6.854 1.00 0.00 H new ATOM 329 N LEU A 24 -3.092 4.159 -7.463 1.00 0.00 N ATOM 330 CA LEU A 24 -2.919 2.755 -7.792 1.00 0.00 C ATOM 331 C LEU A 24 -3.214 2.544 -9.278 1.00 0.00 C ATOM 332 O LEU A 24 -4.173 3.102 -9.810 1.00 0.00 O ATOM 333 CB LEU A 24 -3.768 1.880 -6.867 1.00 0.00 C ATOM 334 CG LEU A 24 -4.175 0.514 -7.423 1.00 0.00 C ATOM 335 CD1 LEU A 24 -3.256 -0.590 -6.895 1.00 0.00 C ATOM 336 CD2 LEU A 24 -5.648 0.221 -7.132 1.00 0.00 C ATOM 0 H LEU A 24 -3.873 4.615 -7.935 1.00 0.00 H new ATOM 0 HA LEU A 24 -1.886 2.449 -7.625 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.216 1.723 -5.940 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.673 2.430 -6.610 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.059 0.538 -8.507 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.568 -1.550 -7.306 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.229 -0.383 -7.195 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.316 -0.624 -5.807 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.912 -0.756 -7.538 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.813 0.223 -6.055 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.270 0.987 -7.596 1.00 0.00 H new ATOM 348 N ASN A 25 -2.371 1.737 -9.907 1.00 0.00 N ATOM 349 CA ASN A 25 -2.529 1.446 -11.322 1.00 0.00 C ATOM 350 C ASN A 25 -2.486 -0.069 -11.534 1.00 0.00 C ATOM 351 O ASN A 25 -1.769 -0.778 -10.829 1.00 0.00 O ATOM 352 CB ASN A 25 -1.399 2.071 -12.142 1.00 0.00 C ATOM 353 CG ASN A 25 -1.947 2.763 -13.392 1.00 0.00 C ATOM 354 OD1 ASN A 25 -2.969 3.428 -13.367 1.00 0.00 O ATOM 355 ND2 ASN A 25 -1.211 2.570 -14.483 1.00 0.00 N ATOM 0 H ASN A 25 -1.577 1.276 -9.463 1.00 0.00 H new ATOM 0 HA ASN A 25 -3.483 1.861 -11.648 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -0.857 2.793 -11.531 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -0.686 1.300 -12.432 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -1.492 2.991 -15.369 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -0.366 2.001 -14.434 1.00 0.00 H new ATOM 362 N THR A 26 -3.263 -0.520 -12.508 1.00 0.00 N ATOM 363 CA THR A 26 -3.322 -1.937 -12.822 1.00 0.00 C ATOM 364 C THR A 26 -2.426 -2.256 -14.020 1.00 0.00 C ATOM 365 O THR A 26 -1.826 -3.328 -14.083 1.00 0.00 O ATOM 366 CB THR A 26 -4.789 -2.311 -13.043 1.00 0.00 C ATOM 367 OG1 THR A 26 -5.287 -1.279 -13.891 1.00 0.00 O ATOM 368 CG2 THR A 26 -5.626 -2.182 -11.769 1.00 0.00 C ATOM 0 H THR A 26 -3.857 0.071 -13.090 1.00 0.00 H new ATOM 0 HA THR A 26 -2.938 -2.541 -12.000 1.00 0.00 H new ATOM 0 HB THR A 26 -4.850 -3.334 -13.415 1.00 0.00 H new ATOM 0 HG1 THR A 26 -6.233 -1.444 -14.086 1.00 0.00 H new ATOM 0 HG21 THR A 26 -6.658 -2.459 -11.982 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.224 -2.843 -11.001 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.593 -1.152 -11.415 1.00 0.00 H new ATOM 376 N ASP A 27 -2.364 -1.306 -14.942 1.00 0.00 N ATOM 377 CA ASP A 27 -1.552 -1.473 -16.135 1.00 0.00 C ATOM 378 C ASP A 27 -0.205 -2.086 -15.747 1.00 0.00 C ATOM 379 O ASP A 27 0.380 -2.846 -16.518 1.00 0.00 O ATOM 380 CB ASP A 27 -1.282 -0.126 -16.809 1.00 0.00 C ATOM 381 CG ASP A 27 -0.279 -0.171 -17.964 1.00 0.00 C ATOM 382 OD1 ASP A 27 -0.118 -1.272 -18.534 1.00 0.00 O ATOM 383 OD2 ASP A 27 0.305 0.896 -18.250 1.00 0.00 O ATOM 0 H ASP A 27 -2.863 -0.418 -14.887 1.00 0.00 H new ATOM 0 HA ASP A 27 -2.094 -2.120 -16.825 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -2.226 0.272 -17.182 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -0.916 0.573 -16.057 1.00 0.00 H new ATOM 388 N GLU A 28 0.249 -1.733 -14.553 1.00 0.00 N ATOM 389 CA GLU A 28 1.516 -2.239 -14.054 1.00 0.00 C ATOM 390 C GLU A 28 1.278 -3.352 -13.032 1.00 0.00 C ATOM 391 O GLU A 28 0.136 -3.733 -12.779 1.00 0.00 O ATOM 392 CB GLU A 28 2.358 -1.112 -13.452 1.00 0.00 C ATOM 393 CG GLU A 28 1.801 0.258 -13.845 1.00 0.00 C ATOM 394 CD GLU A 28 1.677 0.383 -15.365 1.00 0.00 C ATOM 395 OE1 GLU A 28 2.070 -0.586 -16.049 1.00 0.00 O ATOM 396 OE2 GLU A 28 1.190 1.446 -15.809 1.00 0.00 O ATOM 0 H GLU A 28 -0.239 -1.102 -13.917 1.00 0.00 H new ATOM 0 HA GLU A 28 2.074 -2.656 -14.893 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.373 -1.205 -12.366 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.389 -1.201 -13.794 1.00 0.00 H new ATOM 0 HG2 GLU A 28 0.824 0.404 -13.384 1.00 0.00 H new ATOM 0 HG3 GLU A 28 2.454 1.043 -13.464 1.00 0.00 H new ATOM 403 N PRO A 29 2.403 -3.854 -12.456 1.00 0.00 N ATOM 404 CA PRO A 29 2.328 -4.916 -11.467 1.00 0.00 C ATOM 405 C PRO A 29 1.838 -4.377 -10.121 1.00 0.00 C ATOM 406 O PRO A 29 1.724 -3.166 -9.937 1.00 0.00 O ATOM 407 CB PRO A 29 3.732 -5.492 -11.401 1.00 0.00 C ATOM 408 CG PRO A 29 4.645 -4.438 -12.006 1.00 0.00 C ATOM 409 CD PRO A 29 3.771 -3.427 -12.731 1.00 0.00 C ATOM 0 HA PRO A 29 1.607 -5.689 -11.733 1.00 0.00 H new ATOM 0 HB2 PRO A 29 4.016 -5.710 -10.372 1.00 0.00 H new ATOM 0 HB3 PRO A 29 3.796 -6.429 -11.955 1.00 0.00 H new ATOM 0 HG2 PRO A 29 5.231 -3.948 -11.228 1.00 0.00 H new ATOM 0 HG3 PRO A 29 5.352 -4.896 -12.697 1.00 0.00 H new ATOM 0 HD2 PRO A 29 3.951 -2.415 -12.367 1.00 0.00 H new ATOM 0 HD3 PRO A 29 3.976 -3.422 -13.801 1.00 0.00 H new ATOM 417 N PRO A 30 1.554 -5.328 -9.191 1.00 0.00 N ATOM 418 CA PRO A 30 1.079 -4.961 -7.868 1.00 0.00 C ATOM 419 C PRO A 30 2.220 -4.412 -7.008 1.00 0.00 C ATOM 420 O PRO A 30 1.994 -3.587 -6.124 1.00 0.00 O ATOM 421 CB PRO A 30 0.469 -6.233 -7.302 1.00 0.00 C ATOM 422 CG PRO A 30 1.036 -7.373 -8.133 1.00 0.00 C ATOM 423 CD PRO A 30 1.677 -6.771 -9.374 1.00 0.00 C ATOM 0 HA PRO A 30 0.342 -4.158 -7.894 1.00 0.00 H new ATOM 0 HB2 PRO A 30 0.724 -6.353 -6.249 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -0.619 -6.207 -7.366 1.00 0.00 H new ATOM 0 HG2 PRO A 30 1.772 -7.935 -7.558 1.00 0.00 H new ATOM 0 HG3 PRO A 30 0.247 -8.072 -8.411 1.00 0.00 H new ATOM 0 HD2 PRO A 30 2.721 -7.071 -9.466 1.00 0.00 H new ATOM 0 HD3 PRO A 30 1.170 -7.100 -10.281 1.00 0.00 H new ATOM 431 N MET A 31 3.420 -4.891 -7.299 1.00 0.00 N ATOM 432 CA MET A 31 4.597 -4.459 -6.564 1.00 0.00 C ATOM 433 C MET A 31 4.647 -2.933 -6.458 1.00 0.00 C ATOM 434 O MET A 31 4.888 -2.390 -5.381 1.00 0.00 O ATOM 435 CB MET A 31 5.856 -4.962 -7.273 1.00 0.00 C ATOM 436 CG MET A 31 5.833 -6.486 -7.413 1.00 0.00 C ATOM 437 SD MET A 31 5.553 -7.241 -5.821 1.00 0.00 S ATOM 438 CE MET A 31 7.214 -7.217 -5.169 1.00 0.00 C ATOM 0 H MET A 31 3.603 -5.574 -8.034 1.00 0.00 H new ATOM 0 HA MET A 31 4.546 -4.874 -5.557 1.00 0.00 H new ATOM 0 HB2 MET A 31 5.930 -4.503 -8.259 1.00 0.00 H new ATOM 0 HB3 MET A 31 6.740 -4.658 -6.712 1.00 0.00 H new ATOM 0 HG2 MET A 31 5.049 -6.784 -8.109 1.00 0.00 H new ATOM 0 HG3 MET A 31 6.778 -6.835 -7.829 1.00 0.00 H new ATOM 0 HE1 MET A 31 7.220 -7.656 -4.171 1.00 0.00 H new ATOM 0 HE2 MET A 31 7.870 -7.792 -5.822 1.00 0.00 H new ATOM 0 HE3 MET A 31 7.569 -6.188 -5.114 1.00 0.00 H new ATOM 448 N VAL A 32 4.414 -2.285 -7.590 1.00 0.00 N ATOM 449 CA VAL A 32 4.429 -0.833 -7.638 1.00 0.00 C ATOM 450 C VAL A 32 3.587 -0.280 -6.486 1.00 0.00 C ATOM 451 O VAL A 32 4.048 0.570 -5.727 1.00 0.00 O ATOM 452 CB VAL A 32 3.957 -0.349 -9.010 1.00 0.00 C ATOM 453 CG1 VAL A 32 3.816 1.174 -9.036 1.00 0.00 C ATOM 454 CG2 VAL A 32 4.898 -0.832 -10.115 1.00 0.00 C ATOM 0 H VAL A 32 4.214 -2.739 -8.481 1.00 0.00 H new ATOM 0 HA VAL A 32 5.444 -0.457 -7.508 1.00 0.00 H new ATOM 0 HB VAL A 32 2.973 -0.779 -9.197 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.479 1.491 -10.023 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.088 1.485 -8.287 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.780 1.632 -8.817 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.540 -0.474 -11.080 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.901 -0.445 -9.934 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.925 -1.922 -10.119 1.00 0.00 H new ATOM 464 N PHE A 33 2.365 -0.786 -6.394 1.00 0.00 N ATOM 465 CA PHE A 33 1.454 -0.353 -5.348 1.00 0.00 C ATOM 466 C PHE A 33 2.062 -0.579 -3.962 1.00 0.00 C ATOM 467 O PHE A 33 1.720 0.119 -3.009 1.00 0.00 O ATOM 468 CB PHE A 33 0.187 -1.201 -5.480 1.00 0.00 C ATOM 469 CG PHE A 33 -0.936 -0.795 -4.524 1.00 0.00 C ATOM 470 CD1 PHE A 33 -1.550 0.410 -4.669 1.00 0.00 C ATOM 471 CD2 PHE A 33 -1.321 -1.639 -3.529 1.00 0.00 C ATOM 472 CE1 PHE A 33 -2.592 0.788 -3.782 1.00 0.00 C ATOM 473 CE2 PHE A 33 -2.364 -1.261 -2.642 1.00 0.00 C ATOM 474 CZ PHE A 33 -2.977 -0.056 -2.787 1.00 0.00 C ATOM 0 H PHE A 33 1.985 -1.491 -7.026 1.00 0.00 H new ATOM 0 HA PHE A 33 1.245 0.712 -5.454 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -0.179 -1.132 -6.504 1.00 0.00 H new ATOM 0 HB3 PHE A 33 0.441 -2.246 -5.302 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -1.245 1.080 -5.459 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -0.834 -2.596 -3.414 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -3.079 1.745 -3.897 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -2.670 -1.931 -1.852 1.00 0.00 H new ATOM 0 HZ PHE A 33 -3.770 0.231 -2.112 1.00 0.00 H new ATOM 484 N LYS A 34 2.953 -1.557 -3.895 1.00 0.00 N ATOM 485 CA LYS A 34 3.613 -1.884 -2.642 1.00 0.00 C ATOM 486 C LYS A 34 4.833 -0.979 -2.462 1.00 0.00 C ATOM 487 O LYS A 34 5.160 -0.587 -1.342 1.00 0.00 O ATOM 488 CB LYS A 34 3.940 -3.377 -2.582 1.00 0.00 C ATOM 489 CG LYS A 34 2.800 -4.212 -3.169 1.00 0.00 C ATOM 490 CD LYS A 34 1.439 -3.618 -2.801 1.00 0.00 C ATOM 491 CE LYS A 34 0.374 -4.711 -2.698 1.00 0.00 C ATOM 492 NZ LYS A 34 0.184 -5.374 -4.008 1.00 0.00 N ATOM 0 H LYS A 34 3.234 -2.134 -4.688 1.00 0.00 H new ATOM 0 HA LYS A 34 2.948 -1.694 -1.800 1.00 0.00 H new ATOM 0 HB2 LYS A 34 4.860 -3.574 -3.132 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.117 -3.673 -1.548 1.00 0.00 H new ATOM 0 HG2 LYS A 34 2.899 -4.258 -4.253 1.00 0.00 H new ATOM 0 HG3 LYS A 34 2.866 -5.235 -2.799 1.00 0.00 H new ATOM 0 HD2 LYS A 34 1.514 -3.088 -1.852 1.00 0.00 H new ATOM 0 HD3 LYS A 34 1.143 -2.886 -3.552 1.00 0.00 H new ATOM 0 HE2 LYS A 34 0.671 -5.447 -1.951 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -0.569 -4.278 -2.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -0.662 -5.978 -3.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 0.064 -4.653 -4.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 1.017 -5.958 -4.226 1.00 0.00 H new ATOM 506 N ALA A 35 5.474 -0.673 -3.580 1.00 0.00 N ATOM 507 CA ALA A 35 6.651 0.178 -3.560 1.00 0.00 C ATOM 508 C ALA A 35 6.265 1.562 -3.034 1.00 0.00 C ATOM 509 O ALA A 35 7.106 2.284 -2.501 1.00 0.00 O ATOM 510 CB ALA A 35 7.263 0.237 -4.961 1.00 0.00 C ATOM 0 H ALA A 35 5.200 -1.000 -4.507 1.00 0.00 H new ATOM 0 HA ALA A 35 7.408 -0.230 -2.891 1.00 0.00 H new ATOM 0 HB1 ALA A 35 8.146 0.876 -4.946 1.00 0.00 H new ATOM 0 HB2 ALA A 35 7.547 -0.767 -5.277 1.00 0.00 H new ATOM 0 HB3 ALA A 35 6.533 0.644 -5.660 1.00 0.00 H new ATOM 516 N GLN A 36 4.993 1.891 -3.204 1.00 0.00 N ATOM 517 CA GLN A 36 4.485 3.176 -2.753 1.00 0.00 C ATOM 518 C GLN A 36 4.142 3.118 -1.263 1.00 0.00 C ATOM 519 O GLN A 36 4.560 3.981 -0.492 1.00 0.00 O ATOM 520 CB GLN A 36 3.271 3.606 -3.578 1.00 0.00 C ATOM 521 CG GLN A 36 2.624 4.861 -2.989 1.00 0.00 C ATOM 522 CD GLN A 36 1.098 4.754 -3.014 1.00 0.00 C ATOM 523 OE1 GLN A 36 0.514 3.740 -2.668 1.00 0.00 O ATOM 524 NE2 GLN A 36 0.486 5.855 -3.442 1.00 0.00 N ATOM 0 H GLN A 36 4.299 1.290 -3.648 1.00 0.00 H new ATOM 0 HA GLN A 36 5.265 3.924 -2.898 1.00 0.00 H new ATOM 0 HB2 GLN A 36 3.576 3.798 -4.607 1.00 0.00 H new ATOM 0 HB3 GLN A 36 2.542 2.796 -3.608 1.00 0.00 H new ATOM 0 HG2 GLN A 36 2.965 5.004 -1.964 1.00 0.00 H new ATOM 0 HG3 GLN A 36 2.940 5.737 -3.555 1.00 0.00 H new ATOM 0 HE21 GLN A 36 1.035 6.670 -3.717 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -0.532 5.884 -3.495 1.00 0.00 H new ATOM 533 N LEU A 37 3.386 2.092 -0.902 1.00 0.00 N ATOM 534 CA LEU A 37 2.983 1.910 0.482 1.00 0.00 C ATOM 535 C LEU A 37 4.209 2.041 1.388 1.00 0.00 C ATOM 536 O LEU A 37 4.089 2.426 2.550 1.00 0.00 O ATOM 537 CB LEU A 37 2.231 0.589 0.652 1.00 0.00 C ATOM 538 CG LEU A 37 0.860 0.505 -0.023 1.00 0.00 C ATOM 539 CD1 LEU A 37 -0.130 -0.278 0.842 1.00 0.00 C ATOM 540 CD2 LEU A 37 0.337 1.899 -0.375 1.00 0.00 C ATOM 0 H LEU A 37 3.042 1.378 -1.544 1.00 0.00 H new ATOM 0 HA LEU A 37 2.282 2.690 0.780 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.856 -0.214 0.262 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.101 0.403 1.718 1.00 0.00 H new ATOM 0 HG LEU A 37 0.972 -0.043 -0.959 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.096 -0.323 0.339 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.245 -1.289 0.999 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.245 0.220 1.805 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.638 1.812 -0.853 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.243 2.493 0.534 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.033 2.387 -1.057 1.00 0.00 H new ATOM 552 N PHE A 38 5.361 1.713 0.821 1.00 0.00 N ATOM 553 CA PHE A 38 6.608 1.789 1.563 1.00 0.00 C ATOM 554 C PHE A 38 6.873 3.216 2.045 1.00 0.00 C ATOM 555 O PHE A 38 7.215 3.429 3.208 1.00 0.00 O ATOM 556 CB PHE A 38 7.725 1.372 0.604 1.00 0.00 C ATOM 557 CG PHE A 38 8.941 0.753 1.296 1.00 0.00 C ATOM 558 CD1 PHE A 38 9.219 1.066 2.590 1.00 0.00 C ATOM 559 CD2 PHE A 38 9.745 -0.108 0.617 1.00 0.00 C ATOM 560 CE1 PHE A 38 10.347 0.492 3.233 1.00 0.00 C ATOM 561 CE2 PHE A 38 10.874 -0.682 1.259 1.00 0.00 C ATOM 562 CZ PHE A 38 11.151 -0.370 2.554 1.00 0.00 C ATOM 0 H PHE A 38 5.457 1.394 -0.143 1.00 0.00 H new ATOM 0 HA PHE A 38 6.560 1.141 2.438 1.00 0.00 H new ATOM 0 HB2 PHE A 38 7.325 0.656 -0.114 1.00 0.00 H new ATOM 0 HB3 PHE A 38 8.048 2.245 0.037 1.00 0.00 H new ATOM 0 HD1 PHE A 38 8.581 1.751 3.129 1.00 0.00 H new ATOM 0 HD2 PHE A 38 9.525 -0.355 -0.411 1.00 0.00 H new ATOM 0 HE1 PHE A 38 10.567 0.740 4.261 1.00 0.00 H new ATOM 0 HE2 PHE A 38 11.513 -1.366 0.720 1.00 0.00 H new ATOM 0 HZ PHE A 38 12.009 -0.807 3.043 1.00 0.00 H new ATOM 572 N ALA A 39 6.705 4.158 1.128 1.00 0.00 N ATOM 573 CA ALA A 39 6.922 5.559 1.446 1.00 0.00 C ATOM 574 C ALA A 39 5.686 6.113 2.157 1.00 0.00 C ATOM 575 O ALA A 39 5.690 7.254 2.618 1.00 0.00 O ATOM 576 CB ALA A 39 7.251 6.328 0.164 1.00 0.00 C ATOM 0 H ALA A 39 6.421 3.978 0.165 1.00 0.00 H new ATOM 0 HA ALA A 39 7.770 5.673 2.122 1.00 0.00 H new ATOM 0 HB1 ALA A 39 7.414 7.379 0.402 1.00 0.00 H new ATOM 0 HB2 ALA A 39 8.153 5.914 -0.287 1.00 0.00 H new ATOM 0 HB3 ALA A 39 6.421 6.239 -0.537 1.00 0.00 H new ATOM 582 N LEU A 40 4.658 5.280 2.224 1.00 0.00 N ATOM 583 CA LEU A 40 3.417 5.673 2.872 1.00 0.00 C ATOM 584 C LEU A 40 3.552 5.476 4.383 1.00 0.00 C ATOM 585 O LEU A 40 3.336 6.409 5.156 1.00 0.00 O ATOM 586 CB LEU A 40 2.232 4.925 2.258 1.00 0.00 C ATOM 587 CG LEU A 40 1.872 5.305 0.820 1.00 0.00 C ATOM 588 CD1 LEU A 40 0.428 4.917 0.496 1.00 0.00 C ATOM 589 CD2 LEU A 40 2.138 6.789 0.562 1.00 0.00 C ATOM 0 H LEU A 40 4.658 4.335 1.841 1.00 0.00 H new ATOM 0 HA LEU A 40 3.218 6.731 2.704 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.447 3.857 2.288 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.357 5.092 2.887 1.00 0.00 H new ATOM 0 HG LEU A 40 2.516 4.741 0.146 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.198 5.198 -0.532 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.305 3.840 0.614 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.249 5.436 1.174 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.874 7.032 -0.467 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.536 7.390 1.243 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.194 7.003 0.726 1.00 0.00 H new ATOM 601 N THR A 41 3.908 4.257 4.760 1.00 0.00 N ATOM 602 CA THR A 41 4.073 3.926 6.165 1.00 0.00 C ATOM 603 C THR A 41 5.556 3.749 6.500 1.00 0.00 C ATOM 604 O THR A 41 6.084 4.435 7.374 1.00 0.00 O ATOM 605 CB THR A 41 3.231 2.684 6.461 1.00 0.00 C ATOM 606 OG1 THR A 41 3.968 1.616 5.872 1.00 0.00 O ATOM 607 CG2 THR A 41 1.903 2.683 5.702 1.00 0.00 C ATOM 0 H THR A 41 4.087 3.486 4.117 1.00 0.00 H new ATOM 0 HA THR A 41 3.721 4.734 6.806 1.00 0.00 H new ATOM 0 HB THR A 41 3.037 2.624 7.532 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.494 1.290 5.079 1.00 0.00 H new ATOM 0 HG21 THR A 41 1.344 1.780 5.948 1.00 0.00 H new ATOM 0 HG22 THR A 41 1.320 3.559 5.987 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.097 2.709 4.630 1.00 0.00 H new ATOM 615 N GLY A 42 6.184 2.826 5.787 1.00 0.00 N ATOM 616 CA GLY A 42 7.595 2.551 5.998 1.00 0.00 C ATOM 617 C GLY A 42 7.879 1.050 5.913 1.00 0.00 C ATOM 618 O GLY A 42 9.035 0.637 5.833 1.00 0.00 O ATOM 0 H GLY A 42 5.742 2.259 5.063 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.188 3.080 5.252 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.901 2.928 6.974 1.00 0.00 H new ATOM 622 N VAL A 43 6.805 0.274 5.933 1.00 0.00 N ATOM 623 CA VAL A 43 6.924 -1.172 5.859 1.00 0.00 C ATOM 624 C VAL A 43 7.232 -1.581 4.417 1.00 0.00 C ATOM 625 O VAL A 43 6.701 -0.994 3.475 1.00 0.00 O ATOM 626 CB VAL A 43 5.658 -1.830 6.410 1.00 0.00 C ATOM 627 CG1 VAL A 43 5.802 -3.353 6.444 1.00 0.00 C ATOM 628 CG2 VAL A 43 5.313 -1.281 7.796 1.00 0.00 C ATOM 0 H VAL A 43 5.848 0.620 5.999 1.00 0.00 H new ATOM 0 HA VAL A 43 7.751 -1.520 6.479 1.00 0.00 H new ATOM 0 HB VAL A 43 4.835 -1.586 5.739 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.888 -3.796 6.840 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.978 -3.724 5.434 1.00 0.00 H new ATOM 0 HG13 VAL A 43 6.643 -3.625 7.082 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.409 -1.766 8.165 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.137 -1.480 8.482 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.147 -0.206 7.731 1.00 0.00 H new ATOM 638 N GLN A 44 8.089 -2.584 4.291 1.00 0.00 N ATOM 639 CA GLN A 44 8.474 -3.078 2.979 1.00 0.00 C ATOM 640 C GLN A 44 7.248 -3.605 2.230 1.00 0.00 C ATOM 641 O GLN A 44 6.232 -3.927 2.844 1.00 0.00 O ATOM 642 CB GLN A 44 9.552 -4.157 3.095 1.00 0.00 C ATOM 643 CG GLN A 44 10.905 -3.542 3.458 1.00 0.00 C ATOM 644 CD GLN A 44 10.915 -3.056 4.909 1.00 0.00 C ATOM 645 OE1 GLN A 44 10.017 -3.329 5.688 1.00 0.00 O ATOM 646 NE2 GLN A 44 11.978 -2.322 5.227 1.00 0.00 N ATOM 0 H GLN A 44 8.527 -3.068 5.075 1.00 0.00 H new ATOM 0 HA GLN A 44 8.895 -2.250 2.409 1.00 0.00 H new ATOM 0 HB2 GLN A 44 9.264 -4.884 3.854 1.00 0.00 H new ATOM 0 HB3 GLN A 44 9.635 -4.696 2.152 1.00 0.00 H new ATOM 0 HG2 GLN A 44 11.694 -4.279 3.312 1.00 0.00 H new ATOM 0 HG3 GLN A 44 11.120 -2.708 2.790 1.00 0.00 H new ATOM 0 HE21 GLN A 44 12.694 -2.131 4.526 1.00 0.00 H new ATOM 0 HE22 GLN A 44 12.077 -1.950 6.172 1.00 0.00 H new ATOM 655 N PRO A 45 7.388 -3.681 0.880 1.00 0.00 N ATOM 656 CA PRO A 45 6.305 -4.164 0.041 1.00 0.00 C ATOM 657 C PRO A 45 6.167 -5.684 0.146 1.00 0.00 C ATOM 658 O PRO A 45 5.336 -6.284 -0.535 1.00 0.00 O ATOM 659 CB PRO A 45 6.655 -3.695 -1.362 1.00 0.00 C ATOM 660 CG PRO A 45 8.140 -3.372 -1.336 1.00 0.00 C ATOM 661 CD PRO A 45 8.577 -3.309 0.119 1.00 0.00 C ATOM 0 HA PRO A 45 5.332 -3.777 0.345 1.00 0.00 H new ATOM 0 HB2 PRO A 45 6.437 -4.469 -2.098 1.00 0.00 H new ATOM 0 HB3 PRO A 45 6.069 -2.818 -1.638 1.00 0.00 H new ATOM 0 HG2 PRO A 45 8.706 -4.134 -1.872 1.00 0.00 H new ATOM 0 HG3 PRO A 45 8.333 -2.422 -1.834 1.00 0.00 H new ATOM 0 HD2 PRO A 45 9.402 -3.994 0.314 1.00 0.00 H new ATOM 0 HD3 PRO A 45 8.921 -2.310 0.386 1.00 0.00 H new ATOM 669 N ALA A 46 6.993 -6.264 1.004 1.00 0.00 N ATOM 670 CA ALA A 46 6.973 -7.702 1.207 1.00 0.00 C ATOM 671 C ALA A 46 6.206 -8.021 2.492 1.00 0.00 C ATOM 672 O ALA A 46 5.446 -8.987 2.542 1.00 0.00 O ATOM 673 CB ALA A 46 8.407 -8.234 1.237 1.00 0.00 C ATOM 0 H ALA A 46 7.681 -5.764 1.567 1.00 0.00 H new ATOM 0 HA ALA A 46 6.459 -8.198 0.384 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.392 -9.313 1.389 1.00 0.00 H new ATOM 0 HB2 ALA A 46 8.899 -8.008 0.291 1.00 0.00 H new ATOM 0 HB3 ALA A 46 8.954 -7.760 2.052 1.00 0.00 H new ATOM 679 N ARG A 47 6.432 -7.191 3.499 1.00 0.00 N ATOM 680 CA ARG A 47 5.772 -7.373 4.781 1.00 0.00 C ATOM 681 C ARG A 47 4.366 -6.771 4.744 1.00 0.00 C ATOM 682 O ARG A 47 3.437 -7.317 5.338 1.00 0.00 O ATOM 683 CB ARG A 47 6.570 -6.716 5.909 1.00 0.00 C ATOM 684 CG ARG A 47 8.075 -6.825 5.652 1.00 0.00 C ATOM 685 CD ARG A 47 8.809 -7.325 6.898 1.00 0.00 C ATOM 686 NE ARG A 47 8.495 -6.456 8.054 1.00 0.00 N ATOM 687 CZ ARG A 47 9.110 -6.535 9.241 1.00 0.00 C ATOM 688 NH1 ARG A 47 10.076 -7.443 9.437 1.00 0.00 N ATOM 689 NH2 ARG A 47 8.760 -5.705 10.234 1.00 0.00 N ATOM 0 H ARG A 47 7.063 -6.391 3.454 1.00 0.00 H new ATOM 0 HA ARG A 47 5.708 -8.444 4.972 1.00 0.00 H new ATOM 0 HB2 ARG A 47 6.287 -5.667 5.996 1.00 0.00 H new ATOM 0 HB3 ARG A 47 6.324 -7.192 6.858 1.00 0.00 H new ATOM 0 HG2 ARG A 47 8.257 -7.506 4.820 1.00 0.00 H new ATOM 0 HG3 ARG A 47 8.469 -5.852 5.359 1.00 0.00 H new ATOM 0 HD2 ARG A 47 8.516 -8.352 7.115 1.00 0.00 H new ATOM 0 HD3 ARG A 47 9.884 -7.331 6.719 1.00 0.00 H new ATOM 0 HE ARG A 47 7.765 -5.753 7.940 1.00 0.00 H new ATOM 0 HH11 ARG A 47 10.343 -8.074 8.682 1.00 0.00 H new ATOM 0 HH12 ARG A 47 10.544 -7.503 10.341 1.00 0.00 H new ATOM 0 HH21 ARG A 47 8.025 -5.013 10.085 1.00 0.00 H new ATOM 0 HH22 ARG A 47 9.228 -5.765 11.138 1.00 0.00 H new ATOM 703 N GLN A 48 4.253 -5.654 4.040 1.00 0.00 N ATOM 704 CA GLN A 48 2.976 -4.973 3.917 1.00 0.00 C ATOM 705 C GLN A 48 1.920 -5.923 3.348 1.00 0.00 C ATOM 706 O GLN A 48 1.757 -6.018 2.132 1.00 0.00 O ATOM 707 CB GLN A 48 3.105 -3.716 3.055 1.00 0.00 C ATOM 708 CG GLN A 48 3.781 -2.585 3.832 1.00 0.00 C ATOM 709 CD GLN A 48 3.862 -1.311 2.987 1.00 0.00 C ATOM 710 OE1 GLN A 48 3.428 -0.243 3.385 1.00 0.00 O ATOM 711 NE2 GLN A 48 4.442 -1.484 1.803 1.00 0.00 N ATOM 0 H GLN A 48 5.025 -5.204 3.549 1.00 0.00 H new ATOM 0 HA GLN A 48 2.657 -4.660 4.911 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.683 -3.943 2.159 1.00 0.00 H new ATOM 0 HB3 GLN A 48 2.117 -3.395 2.724 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.224 -2.384 4.747 1.00 0.00 H new ATOM 0 HG3 GLN A 48 4.783 -2.892 4.130 1.00 0.00 H new ATOM 0 HE21 GLN A 48 4.784 -2.406 1.532 1.00 0.00 H new ATOM 0 HE22 GLN A 48 4.545 -0.694 1.166 1.00 0.00 H new ATOM 720 N LYS A 49 1.230 -6.601 4.253 1.00 0.00 N ATOM 721 CA LYS A 49 0.194 -7.539 3.856 1.00 0.00 C ATOM 722 C LYS A 49 -1.019 -6.764 3.338 1.00 0.00 C ATOM 723 O LYS A 49 -1.893 -6.382 4.115 1.00 0.00 O ATOM 724 CB LYS A 49 -0.131 -8.496 5.004 1.00 0.00 C ATOM 725 CG LYS A 49 -0.849 -9.745 4.491 1.00 0.00 C ATOM 726 CD LYS A 49 -1.684 -10.392 5.598 1.00 0.00 C ATOM 727 CE LYS A 49 -2.780 -11.283 5.009 1.00 0.00 C ATOM 728 NZ LYS A 49 -2.435 -12.712 5.182 1.00 0.00 N ATOM 0 H LYS A 49 1.368 -6.519 5.260 1.00 0.00 H new ATOM 0 HA LYS A 49 0.543 -8.168 3.037 1.00 0.00 H new ATOM 0 HB2 LYS A 49 0.789 -8.784 5.513 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -0.756 -7.989 5.739 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.493 -9.480 3.653 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.118 -10.461 4.117 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -1.038 -10.984 6.246 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -2.135 -9.617 6.218 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.731 -11.071 5.497 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.909 -11.059 3.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -3.189 -13.303 4.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -1.538 -12.914 4.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -2.335 -12.925 6.195 1.00 0.00 H new ATOM 742 N VAL A 50 -1.034 -6.556 2.030 1.00 0.00 N ATOM 743 CA VAL A 50 -2.126 -5.834 1.399 1.00 0.00 C ATOM 744 C VAL A 50 -3.265 -6.808 1.091 1.00 0.00 C ATOM 745 O VAL A 50 -3.204 -7.551 0.113 1.00 0.00 O ATOM 746 CB VAL A 50 -1.618 -5.096 0.159 1.00 0.00 C ATOM 747 CG1 VAL A 50 -2.732 -4.262 -0.477 1.00 0.00 C ATOM 748 CG2 VAL A 50 -0.406 -4.226 0.497 1.00 0.00 C ATOM 0 H VAL A 50 -0.307 -6.875 1.389 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.522 -5.074 2.073 1.00 0.00 H new ATOM 0 HB VAL A 50 -1.301 -5.843 -0.569 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.345 -3.748 -1.356 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.553 -4.916 -0.771 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.093 -3.528 0.243 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.065 -3.712 -0.402 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -0.685 -3.490 1.251 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.397 -4.854 0.883 1.00 0.00 H new ATOM 758 N MET A 51 -4.279 -6.772 1.944 1.00 0.00 N ATOM 759 CA MET A 51 -5.430 -7.642 1.775 1.00 0.00 C ATOM 760 C MET A 51 -6.332 -7.144 0.643 1.00 0.00 C ATOM 761 O MET A 51 -6.134 -6.047 0.123 1.00 0.00 O ATOM 762 CB MET A 51 -6.229 -7.692 3.079 1.00 0.00 C ATOM 763 CG MET A 51 -5.775 -8.861 3.955 1.00 0.00 C ATOM 764 SD MET A 51 -7.110 -10.029 4.153 1.00 0.00 S ATOM 765 CE MET A 51 -7.173 -10.709 2.504 1.00 0.00 C ATOM 0 H MET A 51 -4.327 -6.154 2.754 1.00 0.00 H new ATOM 0 HA MET A 51 -5.073 -8.639 1.519 1.00 0.00 H new ATOM 0 HB2 MET A 51 -6.104 -6.755 3.623 1.00 0.00 H new ATOM 0 HB3 MET A 51 -7.291 -7.791 2.855 1.00 0.00 H new ATOM 0 HG2 MET A 51 -4.914 -9.353 3.502 1.00 0.00 H new ATOM 0 HG3 MET A 51 -5.455 -8.493 4.930 1.00 0.00 H new ATOM 0 HE1 MET A 51 -8.057 -10.334 1.989 1.00 0.00 H new ATOM 0 HE2 MET A 51 -6.280 -10.413 1.954 1.00 0.00 H new ATOM 0 HE3 MET A 51 -7.220 -11.797 2.560 1.00 0.00 H new ATOM 775 N VAL A 52 -7.303 -7.976 0.294 1.00 0.00 N ATOM 776 CA VAL A 52 -8.235 -7.634 -0.767 1.00 0.00 C ATOM 777 C VAL A 52 -9.661 -7.947 -0.307 1.00 0.00 C ATOM 778 O VAL A 52 -9.863 -8.771 0.584 1.00 0.00 O ATOM 779 CB VAL A 52 -7.850 -8.361 -2.057 1.00 0.00 C ATOM 780 CG1 VAL A 52 -8.696 -7.874 -3.234 1.00 0.00 C ATOM 781 CG2 VAL A 52 -6.357 -8.201 -2.351 1.00 0.00 C ATOM 0 H VAL A 52 -7.464 -8.885 0.727 1.00 0.00 H new ATOM 0 HA VAL A 52 -8.190 -6.567 -0.986 1.00 0.00 H new ATOM 0 HB VAL A 52 -8.052 -9.423 -1.917 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -8.402 -8.407 -4.138 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -9.749 -8.063 -3.028 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -8.540 -6.805 -3.376 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.109 -8.727 -3.273 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -6.119 -7.143 -2.462 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.777 -8.619 -1.528 1.00 0.00 H new ATOM 791 N LYS A 53 -10.613 -7.274 -0.936 1.00 0.00 N ATOM 792 CA LYS A 53 -12.013 -7.470 -0.603 1.00 0.00 C ATOM 793 C LYS A 53 -12.205 -8.876 -0.031 1.00 0.00 C ATOM 794 O LYS A 53 -12.740 -9.037 1.065 1.00 0.00 O ATOM 795 CB LYS A 53 -12.899 -7.172 -1.814 1.00 0.00 C ATOM 796 CG LYS A 53 -14.100 -6.311 -1.417 1.00 0.00 C ATOM 797 CD LYS A 53 -15.165 -6.316 -2.516 1.00 0.00 C ATOM 798 CE LYS A 53 -15.714 -4.907 -2.752 1.00 0.00 C ATOM 799 NZ LYS A 53 -17.194 -4.928 -2.792 1.00 0.00 N ATOM 0 H LYS A 53 -10.442 -6.592 -1.675 1.00 0.00 H new ATOM 0 HA LYS A 53 -12.323 -6.766 0.170 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -12.316 -6.658 -2.578 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -13.247 -8.107 -2.253 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -14.529 -6.686 -0.488 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -13.773 -5.289 -1.228 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -14.737 -6.703 -3.441 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -15.979 -6.985 -2.236 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -15.375 -4.241 -1.959 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -15.324 -4.511 -3.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -17.551 -3.964 -2.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -17.512 -5.548 -3.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -17.561 -5.286 -1.887 1.00 0.00 H new ATOM 813 N GLY A 54 -11.758 -9.858 -0.799 1.00 0.00 N ATOM 814 CA GLY A 54 -11.874 -11.246 -0.383 1.00 0.00 C ATOM 815 C GLY A 54 -10.706 -12.078 -0.918 1.00 0.00 C ATOM 816 O GLY A 54 -10.912 -13.142 -1.498 1.00 0.00 O ATOM 0 H GLY A 54 -11.315 -9.721 -1.707 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -11.897 -11.303 0.705 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -12.816 -11.660 -0.744 1.00 0.00 H new ATOM 820 N GLY A 55 -9.505 -11.560 -0.703 1.00 0.00 N ATOM 821 CA GLY A 55 -8.305 -12.242 -1.156 1.00 0.00 C ATOM 822 C GLY A 55 -7.057 -11.406 -0.865 1.00 0.00 C ATOM 823 O GLY A 55 -7.133 -10.390 -0.176 1.00 0.00 O ATOM 0 H GLY A 55 -9.338 -10.677 -0.221 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -8.223 -13.209 -0.660 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -8.375 -12.437 -2.226 1.00 0.00 H new ATOM 827 N THR A 56 -5.937 -11.866 -1.404 1.00 0.00 N ATOM 828 CA THR A 56 -4.674 -11.173 -1.210 1.00 0.00 C ATOM 829 C THR A 56 -4.057 -10.802 -2.560 1.00 0.00 C ATOM 830 O THR A 56 -4.086 -11.596 -3.499 1.00 0.00 O ATOM 831 CB THR A 56 -3.773 -12.065 -0.354 1.00 0.00 C ATOM 832 OG1 THR A 56 -4.579 -12.394 0.774 1.00 0.00 O ATOM 833 CG2 THR A 56 -2.590 -11.300 0.244 1.00 0.00 C ATOM 0 H THR A 56 -5.878 -12.709 -1.975 1.00 0.00 H new ATOM 0 HA THR A 56 -4.816 -10.229 -0.683 1.00 0.00 H new ATOM 0 HB THR A 56 -3.402 -12.893 -0.959 1.00 0.00 H new ATOM 0 HG1 THR A 56 -4.072 -12.973 1.381 1.00 0.00 H new ATOM 0 HG21 THR A 56 -1.983 -11.979 0.842 1.00 0.00 H new ATOM 0 HG22 THR A 56 -1.983 -10.883 -0.559 1.00 0.00 H new ATOM 0 HG23 THR A 56 -2.961 -10.493 0.876 1.00 0.00 H new ATOM 841 N LEU A 57 -3.514 -9.595 -2.614 1.00 0.00 N ATOM 842 CA LEU A 57 -2.891 -9.109 -3.834 1.00 0.00 C ATOM 843 C LEU A 57 -1.624 -9.921 -4.113 1.00 0.00 C ATOM 844 O LEU A 57 -0.872 -10.241 -3.193 1.00 0.00 O ATOM 845 CB LEU A 57 -2.647 -7.601 -3.747 1.00 0.00 C ATOM 846 CG LEU A 57 -3.335 -6.748 -4.815 1.00 0.00 C ATOM 847 CD1 LEU A 57 -3.253 -5.261 -4.465 1.00 0.00 C ATOM 848 CD2 LEU A 57 -2.763 -7.043 -6.203 1.00 0.00 C ATOM 0 H LEU A 57 -3.492 -8.939 -1.833 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.557 -9.253 -4.685 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.976 -7.256 -2.767 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.573 -7.423 -3.804 1.00 0.00 H new ATOM 0 HG LEU A 57 -4.392 -7.015 -4.838 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.749 -4.677 -5.240 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.744 -5.085 -3.508 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.207 -4.960 -4.398 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -3.269 -6.424 -6.944 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.696 -6.821 -6.212 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.916 -8.095 -6.444 1.00 0.00 H new ATOM 860 N LYS A 58 -1.427 -10.232 -5.386 1.00 0.00 N ATOM 861 CA LYS A 58 -0.265 -11.000 -5.798 1.00 0.00 C ATOM 862 C LYS A 58 0.968 -10.095 -5.792 1.00 0.00 C ATOM 863 O LYS A 58 0.906 -8.958 -5.326 1.00 0.00 O ATOM 864 CB LYS A 58 -0.522 -11.681 -7.143 1.00 0.00 C ATOM 865 CG LYS A 58 -1.435 -12.898 -6.976 1.00 0.00 C ATOM 866 CD LYS A 58 -1.485 -13.727 -8.262 1.00 0.00 C ATOM 867 CE LYS A 58 -2.922 -14.129 -8.599 1.00 0.00 C ATOM 868 NZ LYS A 58 -3.282 -15.388 -7.910 1.00 0.00 N ATOM 0 H LYS A 58 -2.053 -9.966 -6.146 1.00 0.00 H new ATOM 0 HA LYS A 58 -0.072 -11.807 -5.091 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.979 -10.971 -7.833 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.425 -11.990 -7.585 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -1.075 -13.517 -6.154 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.440 -12.569 -6.712 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.061 -13.153 -9.086 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.871 -14.620 -8.147 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -3.607 -13.336 -8.301 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -3.028 -14.254 -9.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -4.260 -15.647 -8.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -2.639 -16.146 -8.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -3.200 -15.257 -6.882 1.00 0.00 H new ATOM 882 N ASP A 59 2.060 -10.632 -6.317 1.00 0.00 N ATOM 883 CA ASP A 59 3.305 -9.886 -6.379 1.00 0.00 C ATOM 884 C ASP A 59 3.818 -9.876 -7.820 1.00 0.00 C ATOM 885 O ASP A 59 4.242 -8.838 -8.325 1.00 0.00 O ATOM 886 CB ASP A 59 4.378 -10.533 -5.500 1.00 0.00 C ATOM 887 CG ASP A 59 4.079 -10.520 -3.999 1.00 0.00 C ATOM 888 OD1 ASP A 59 3.562 -9.483 -3.532 1.00 0.00 O ATOM 889 OD2 ASP A 59 4.374 -11.549 -3.354 1.00 0.00 O ATOM 0 H ASP A 59 2.108 -11.575 -6.703 1.00 0.00 H new ATOM 0 HA ASP A 59 3.110 -8.874 -6.025 1.00 0.00 H new ATOM 0 HB2 ASP A 59 4.513 -11.566 -5.819 1.00 0.00 H new ATOM 0 HB3 ASP A 59 5.324 -10.020 -5.671 1.00 0.00 H new ATOM 894 N ASP A 60 3.761 -11.045 -8.443 1.00 0.00 N ATOM 895 CA ASP A 60 4.214 -11.183 -9.816 1.00 0.00 C ATOM 896 C ASP A 60 3.329 -10.332 -10.729 1.00 0.00 C ATOM 897 O ASP A 60 3.832 -9.548 -11.532 1.00 0.00 O ATOM 898 CB ASP A 60 4.116 -12.637 -10.284 1.00 0.00 C ATOM 899 CG ASP A 60 4.837 -12.943 -11.599 1.00 0.00 C ATOM 900 OD1 ASP A 60 5.266 -11.967 -12.251 1.00 0.00 O ATOM 901 OD2 ASP A 60 4.943 -14.146 -11.921 1.00 0.00 O ATOM 0 H ASP A 60 3.408 -11.904 -8.022 1.00 0.00 H new ATOM 0 HA ASP A 60 5.253 -10.858 -9.863 1.00 0.00 H new ATOM 0 HB2 ASP A 60 4.523 -13.282 -9.505 1.00 0.00 H new ATOM 0 HB3 ASP A 60 3.063 -12.897 -10.395 1.00 0.00 H new ATOM 906 N ASP A 61 2.026 -10.516 -10.575 1.00 0.00 N ATOM 907 CA ASP A 61 1.066 -9.774 -11.376 1.00 0.00 C ATOM 908 C ASP A 61 -0.321 -9.893 -10.741 1.00 0.00 C ATOM 909 O ASP A 61 -0.585 -10.830 -9.989 1.00 0.00 O ATOM 910 CB ASP A 61 0.985 -10.334 -12.797 1.00 0.00 C ATOM 911 CG ASP A 61 -0.211 -9.847 -13.617 1.00 0.00 C ATOM 912 OD1 ASP A 61 -0.265 -8.624 -13.869 1.00 0.00 O ATOM 913 OD2 ASP A 61 -1.044 -10.708 -13.973 1.00 0.00 O ATOM 0 H ASP A 61 1.612 -11.168 -9.908 1.00 0.00 H new ATOM 0 HA ASP A 61 1.392 -8.735 -11.416 1.00 0.00 H new ATOM 0 HB2 ASP A 61 1.901 -10.072 -13.327 1.00 0.00 H new ATOM 0 HB3 ASP A 61 0.949 -11.422 -12.741 1.00 0.00 H new ATOM 918 N TRP A 62 -1.170 -8.930 -11.067 1.00 0.00 N ATOM 919 CA TRP A 62 -2.523 -8.915 -10.538 1.00 0.00 C ATOM 920 C TRP A 62 -3.231 -10.185 -11.014 1.00 0.00 C ATOM 921 O TRP A 62 -3.858 -10.886 -10.220 1.00 0.00 O ATOM 922 CB TRP A 62 -3.256 -7.635 -10.943 1.00 0.00 C ATOM 923 CG TRP A 62 -2.619 -6.354 -10.401 1.00 0.00 C ATOM 924 CD1 TRP A 62 -1.534 -5.714 -10.859 1.00 0.00 C ATOM 925 CD2 TRP A 62 -3.074 -5.579 -9.272 1.00 0.00 C ATOM 926 NE1 TRP A 62 -1.258 -4.588 -10.111 1.00 0.00 N ATOM 927 CE2 TRP A 62 -2.224 -4.503 -9.115 1.00 0.00 C ATOM 928 CE3 TRP A 62 -4.167 -5.780 -8.411 1.00 0.00 C ATOM 929 CZ2 TRP A 62 -2.379 -3.544 -8.107 1.00 0.00 C ATOM 930 CZ3 TRP A 62 -4.308 -4.813 -7.409 1.00 0.00 C ATOM 931 CH2 TRP A 62 -3.461 -3.724 -7.238 1.00 0.00 C ATOM 0 H TRP A 62 -0.947 -8.154 -11.691 1.00 0.00 H new ATOM 0 HA TRP A 62 -2.511 -8.911 -9.448 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -3.292 -7.578 -12.031 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -4.286 -7.692 -10.592 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -0.949 -6.039 -11.707 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -0.487 -3.937 -10.261 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -4.844 -6.615 -8.515 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -1.700 -2.710 -8.005 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -5.133 -4.920 -6.720 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -3.637 -3.020 -6.438 1.00 0.00 H new ATOM 942 N GLY A 63 -3.108 -10.444 -12.307 1.00 0.00 N ATOM 943 CA GLY A 63 -3.728 -11.618 -12.898 1.00 0.00 C ATOM 944 C GLY A 63 -5.099 -11.277 -13.485 1.00 0.00 C ATOM 945 O GLY A 63 -5.275 -11.277 -14.702 1.00 0.00 O ATOM 0 H GLY A 63 -2.588 -9.861 -12.963 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.083 -12.019 -13.680 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -3.835 -12.396 -12.142 1.00 0.00 H new ATOM 949 N ASN A 64 -6.036 -10.994 -12.591 1.00 0.00 N ATOM 950 CA ASN A 64 -7.386 -10.652 -13.005 1.00 0.00 C ATOM 951 C ASN A 64 -8.219 -10.301 -11.772 1.00 0.00 C ATOM 952 O ASN A 64 -9.328 -10.806 -11.603 1.00 0.00 O ATOM 953 CB ASN A 64 -8.060 -11.830 -13.712 1.00 0.00 C ATOM 954 CG ASN A 64 -9.320 -11.376 -14.453 1.00 0.00 C ATOM 955 OD1 ASN A 64 -9.654 -10.204 -14.502 1.00 0.00 O ATOM 956 ND2 ASN A 64 -9.997 -12.367 -15.025 1.00 0.00 N ATOM 0 H ASN A 64 -5.886 -10.995 -11.582 1.00 0.00 H new ATOM 0 HA ASN A 64 -7.325 -9.807 -13.691 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -7.363 -12.283 -14.417 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -8.319 -12.597 -12.982 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -10.852 -12.167 -15.544 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -9.661 -13.327 -14.945 1.00 0.00 H new ATOM 963 N ILE A 65 -7.654 -9.437 -10.941 1.00 0.00 N ATOM 964 CA ILE A 65 -8.331 -9.013 -9.727 1.00 0.00 C ATOM 965 C ILE A 65 -9.297 -7.873 -10.060 1.00 0.00 C ATOM 966 O ILE A 65 -8.982 -7.004 -10.871 1.00 0.00 O ATOM 967 CB ILE A 65 -7.313 -8.659 -8.642 1.00 0.00 C ATOM 968 CG1 ILE A 65 -6.445 -9.868 -8.289 1.00 0.00 C ATOM 969 CG2 ILE A 65 -8.006 -8.072 -7.410 1.00 0.00 C ATOM 970 CD1 ILE A 65 -5.395 -9.502 -7.238 1.00 0.00 C ATOM 0 H ILE A 65 -6.735 -9.019 -11.085 1.00 0.00 H new ATOM 0 HA ILE A 65 -8.927 -9.828 -9.318 1.00 0.00 H new ATOM 0 HB ILE A 65 -6.649 -7.889 -9.035 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -7.075 -10.675 -7.914 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -5.952 -10.240 -9.187 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -7.259 -7.829 -6.654 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -8.545 -7.167 -7.692 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -8.708 -8.801 -7.006 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -4.792 -10.380 -7.005 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.752 -8.712 -7.626 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.892 -9.153 -6.333 1.00 0.00 H new ATOM 982 N LYS A 66 -10.454 -7.914 -9.415 1.00 0.00 N ATOM 983 CA LYS A 66 -11.467 -6.896 -9.632 1.00 0.00 C ATOM 984 C LYS A 66 -11.127 -5.658 -8.800 1.00 0.00 C ATOM 985 O LYS A 66 -11.299 -5.658 -7.582 1.00 0.00 O ATOM 986 CB LYS A 66 -12.862 -7.460 -9.353 1.00 0.00 C ATOM 987 CG LYS A 66 -13.506 -7.992 -10.635 1.00 0.00 C ATOM 988 CD LYS A 66 -14.757 -7.187 -10.994 1.00 0.00 C ATOM 989 CE LYS A 66 -15.396 -7.714 -12.280 1.00 0.00 C ATOM 990 NZ LYS A 66 -16.597 -6.920 -12.625 1.00 0.00 N ATOM 0 H LYS A 66 -10.712 -8.636 -8.742 1.00 0.00 H new ATOM 0 HA LYS A 66 -11.477 -6.585 -10.677 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -12.794 -8.261 -8.617 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -13.492 -6.683 -8.921 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -12.789 -7.942 -11.454 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -13.769 -9.042 -10.506 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -15.476 -7.242 -10.177 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -14.495 -6.136 -11.118 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -14.675 -7.668 -13.097 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -15.669 -8.762 -12.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -17.019 -7.291 -13.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -17.290 -6.985 -11.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -16.327 -5.925 -12.765 1.00 0.00 H new ATOM 1004 N MET A 67 -10.650 -4.633 -9.491 1.00 0.00 N ATOM 1005 CA MET A 67 -10.284 -3.391 -8.832 1.00 0.00 C ATOM 1006 C MET A 67 -11.380 -2.337 -9.001 1.00 0.00 C ATOM 1007 O MET A 67 -12.017 -2.262 -10.050 1.00 0.00 O ATOM 1008 CB MET A 67 -8.974 -2.866 -9.423 1.00 0.00 C ATOM 1009 CG MET A 67 -7.841 -3.876 -9.229 1.00 0.00 C ATOM 1010 SD MET A 67 -6.419 -3.069 -8.513 1.00 0.00 S ATOM 1011 CE MET A 67 -6.917 -3.027 -6.799 1.00 0.00 C ATOM 0 H MET A 67 -10.509 -4.637 -10.501 1.00 0.00 H new ATOM 0 HA MET A 67 -10.158 -3.589 -7.768 1.00 0.00 H new ATOM 0 HB2 MET A 67 -9.106 -2.662 -10.486 1.00 0.00 H new ATOM 0 HB3 MET A 67 -8.709 -1.921 -8.948 1.00 0.00 H new ATOM 0 HG2 MET A 67 -8.173 -4.687 -8.581 1.00 0.00 H new ATOM 0 HG3 MET A 67 -7.572 -4.322 -10.187 1.00 0.00 H new ATOM 0 HE1 MET A 67 -6.115 -2.600 -6.197 1.00 0.00 H new ATOM 0 HE2 MET A 67 -7.814 -2.416 -6.695 1.00 0.00 H new ATOM 0 HE3 MET A 67 -7.127 -4.040 -6.456 1.00 0.00 H new ATOM 1021 N LYS A 68 -11.564 -1.549 -7.952 1.00 0.00 N ATOM 1022 CA LYS A 68 -12.572 -0.502 -7.971 1.00 0.00 C ATOM 1023 C LYS A 68 -12.000 0.762 -7.326 1.00 0.00 C ATOM 1024 O LYS A 68 -11.118 0.683 -6.472 1.00 0.00 O ATOM 1025 CB LYS A 68 -13.867 -0.992 -7.320 1.00 0.00 C ATOM 1026 CG LYS A 68 -14.504 -2.113 -8.144 1.00 0.00 C ATOM 1027 CD LYS A 68 -15.301 -3.065 -7.250 1.00 0.00 C ATOM 1028 CE LYS A 68 -14.529 -4.363 -7.006 1.00 0.00 C ATOM 1029 NZ LYS A 68 -13.765 -4.281 -5.741 1.00 0.00 N ATOM 0 H LYS A 68 -11.033 -1.614 -7.084 1.00 0.00 H new ATOM 0 HA LYS A 68 -12.836 -0.246 -8.997 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -13.659 -1.350 -6.312 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -14.567 -0.162 -7.225 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -15.160 -1.685 -8.901 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -13.728 -2.668 -8.671 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -15.516 -2.581 -6.297 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -16.260 -3.290 -7.716 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -15.222 -5.203 -6.965 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -13.849 -4.551 -7.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -12.754 -4.161 -5.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -14.101 -3.469 -5.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -13.903 -5.155 -5.195 1.00 0.00 H new ATOM 1043 N ASN A 69 -12.525 1.899 -7.759 1.00 0.00 N ATOM 1044 CA ASN A 69 -12.078 3.178 -7.235 1.00 0.00 C ATOM 1045 C ASN A 69 -13.009 3.613 -6.102 1.00 0.00 C ATOM 1046 O ASN A 69 -14.127 4.063 -6.350 1.00 0.00 O ATOM 1047 CB ASN A 69 -12.112 4.259 -8.317 1.00 0.00 C ATOM 1048 CG ASN A 69 -11.929 3.649 -9.708 1.00 0.00 C ATOM 1049 OD1 ASN A 69 -10.838 3.599 -10.253 1.00 0.00 O ATOM 1050 ND2 ASN A 69 -13.053 3.190 -10.250 1.00 0.00 N ATOM 0 H ASN A 69 -13.256 1.961 -8.467 1.00 0.00 H new ATOM 0 HA ASN A 69 -11.055 3.058 -6.878 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -13.061 4.793 -8.272 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -11.325 4.990 -8.130 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -13.036 2.764 -11.177 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -13.933 3.263 -9.739 1.00 0.00 H new ATOM 1057 N GLY A 70 -12.514 3.465 -4.882 1.00 0.00 N ATOM 1058 CA GLY A 70 -13.288 3.837 -3.710 1.00 0.00 C ATOM 1059 C GLY A 70 -13.145 2.790 -2.603 1.00 0.00 C ATOM 1060 O GLY A 70 -13.300 3.103 -1.424 1.00 0.00 O ATOM 0 H GLY A 70 -11.586 3.092 -4.680 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -12.955 4.808 -3.343 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -14.338 3.943 -3.982 1.00 0.00 H new ATOM 1064 N MET A 71 -12.852 1.568 -3.023 1.00 0.00 N ATOM 1065 CA MET A 71 -12.687 0.473 -2.083 1.00 0.00 C ATOM 1066 C MET A 71 -11.683 0.838 -0.987 1.00 0.00 C ATOM 1067 O MET A 71 -11.219 1.975 -0.919 1.00 0.00 O ATOM 1068 CB MET A 71 -12.199 -0.771 -2.828 1.00 0.00 C ATOM 1069 CG MET A 71 -10.815 -0.538 -3.436 1.00 0.00 C ATOM 1070 SD MET A 71 -9.707 -1.851 -2.952 1.00 0.00 S ATOM 1071 CE MET A 71 -10.640 -3.267 -3.511 1.00 0.00 C ATOM 0 H MET A 71 -12.725 1.312 -4.002 1.00 0.00 H new ATOM 0 HA MET A 71 -13.651 0.272 -1.615 1.00 0.00 H new ATOM 0 HB2 MET A 71 -12.161 -1.618 -2.143 1.00 0.00 H new ATOM 0 HB3 MET A 71 -12.907 -1.029 -3.615 1.00 0.00 H new ATOM 0 HG2 MET A 71 -10.889 -0.495 -4.523 1.00 0.00 H new ATOM 0 HG3 MET A 71 -10.420 0.423 -3.105 1.00 0.00 H new ATOM 0 HE1 MET A 71 -9.955 -4.042 -3.855 1.00 0.00 H new ATOM 0 HE2 MET A 71 -11.242 -3.654 -2.689 1.00 0.00 H new ATOM 0 HE3 MET A 71 -11.294 -2.971 -4.331 1.00 0.00 H new ATOM 1081 N THR A 72 -11.377 -0.148 -0.157 1.00 0.00 N ATOM 1082 CA THR A 72 -10.437 0.055 0.932 1.00 0.00 C ATOM 1083 C THR A 72 -9.359 -1.030 0.916 1.00 0.00 C ATOM 1084 O THR A 72 -9.657 -2.203 0.695 1.00 0.00 O ATOM 1085 CB THR A 72 -11.231 0.103 2.239 1.00 0.00 C ATOM 1086 OG1 THR A 72 -11.526 1.486 2.416 1.00 0.00 O ATOM 1087 CG2 THR A 72 -10.376 -0.254 3.457 1.00 0.00 C ATOM 0 H THR A 72 -11.764 -1.090 -0.217 1.00 0.00 H new ATOM 0 HA THR A 72 -9.904 1.000 0.823 1.00 0.00 H new ATOM 0 HB THR A 72 -12.076 -0.582 2.175 1.00 0.00 H new ATOM 0 HG1 THR A 72 -12.041 1.608 3.241 1.00 0.00 H new ATOM 0 HG21 THR A 72 -10.988 -0.205 4.358 1.00 0.00 H new ATOM 0 HG22 THR A 72 -9.981 -1.263 3.341 1.00 0.00 H new ATOM 0 HG23 THR A 72 -9.549 0.451 3.541 1.00 0.00 H new ATOM 1095 N VAL A 73 -8.128 -0.601 1.152 1.00 0.00 N ATOM 1096 CA VAL A 73 -7.004 -1.521 1.167 1.00 0.00 C ATOM 1097 C VAL A 73 -6.461 -1.634 2.593 1.00 0.00 C ATOM 1098 O VAL A 73 -6.116 -0.627 3.210 1.00 0.00 O ATOM 1099 CB VAL A 73 -5.945 -1.071 0.158 1.00 0.00 C ATOM 1100 CG1 VAL A 73 -4.626 -1.813 0.380 1.00 0.00 C ATOM 1101 CG2 VAL A 73 -6.443 -1.254 -1.277 1.00 0.00 C ATOM 0 H VAL A 73 -7.884 0.373 1.335 1.00 0.00 H new ATOM 0 HA VAL A 73 -7.323 -2.517 0.861 1.00 0.00 H new ATOM 0 HB VAL A 73 -5.762 -0.008 0.316 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -3.891 -1.475 -0.350 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.259 -1.609 1.386 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -4.787 -2.885 0.263 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -5.672 -0.927 -1.974 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -6.668 -2.306 -1.453 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -7.344 -0.660 -1.428 1.00 0.00 H new ATOM 1111 N LEU A 74 -6.402 -2.867 3.074 1.00 0.00 N ATOM 1112 CA LEU A 74 -5.907 -3.124 4.416 1.00 0.00 C ATOM 1113 C LEU A 74 -4.406 -3.415 4.354 1.00 0.00 C ATOM 1114 O LEU A 74 -3.958 -4.209 3.528 1.00 0.00 O ATOM 1115 CB LEU A 74 -6.722 -4.233 5.084 1.00 0.00 C ATOM 1116 CG LEU A 74 -6.850 -4.147 6.606 1.00 0.00 C ATOM 1117 CD1 LEU A 74 -5.480 -4.258 7.279 1.00 0.00 C ATOM 1118 CD2 LEU A 74 -7.591 -2.875 7.023 1.00 0.00 C ATOM 0 H LEU A 74 -6.689 -3.699 2.559 1.00 0.00 H new ATOM 0 HA LEU A 74 -6.035 -2.243 5.045 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -7.724 -4.230 4.654 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.270 -5.192 4.831 1.00 0.00 H new ATOM 0 HG LEU A 74 -7.446 -4.994 6.947 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.600 -4.194 8.361 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -5.024 -5.214 7.020 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.839 -3.446 6.936 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -7.668 -2.839 8.110 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -7.043 -2.002 6.669 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -8.590 -2.877 6.588 1.00 0.00 H new ATOM 1130 N MET A 75 -3.671 -2.756 5.238 1.00 0.00 N ATOM 1131 CA MET A 75 -2.230 -2.935 5.294 1.00 0.00 C ATOM 1132 C MET A 75 -1.791 -3.413 6.679 1.00 0.00 C ATOM 1133 O MET A 75 -2.127 -2.796 7.688 1.00 0.00 O ATOM 1134 CB MET A 75 -1.539 -1.610 4.968 1.00 0.00 C ATOM 1135 CG MET A 75 -0.229 -1.846 4.212 1.00 0.00 C ATOM 1136 SD MET A 75 0.776 -0.372 4.255 1.00 0.00 S ATOM 1137 CE MET A 75 1.782 -0.725 5.686 1.00 0.00 C ATOM 0 H MET A 75 -4.046 -2.098 5.921 1.00 0.00 H new ATOM 0 HA MET A 75 -1.947 -3.692 4.563 1.00 0.00 H new ATOM 0 HB2 MET A 75 -2.203 -0.988 4.367 1.00 0.00 H new ATOM 0 HB3 MET A 75 -1.338 -1.064 5.890 1.00 0.00 H new ATOM 0 HG2 MET A 75 0.313 -2.679 4.659 1.00 0.00 H new ATOM 0 HG3 MET A 75 -0.441 -2.122 3.179 1.00 0.00 H new ATOM 0 HE1 MET A 75 1.561 -0.004 6.473 1.00 0.00 H new ATOM 0 HE2 MET A 75 1.564 -1.731 6.045 1.00 0.00 H new ATOM 0 HE3 MET A 75 2.836 -0.656 5.416 1.00 0.00 H new ATOM 1147 N MET A 76 -1.046 -4.509 6.683 1.00 0.00 N ATOM 1148 CA MET A 76 -0.557 -5.077 7.927 1.00 0.00 C ATOM 1149 C MET A 76 0.943 -5.368 7.845 1.00 0.00 C ATOM 1150 O MET A 76 1.388 -6.112 6.972 1.00 0.00 O ATOM 1151 CB MET A 76 -1.312 -6.372 8.229 1.00 0.00 C ATOM 1152 CG MET A 76 -2.699 -6.077 8.805 1.00 0.00 C ATOM 1153 SD MET A 76 -2.778 -6.604 10.508 1.00 0.00 S ATOM 1154 CE MET A 76 -2.018 -5.198 11.304 1.00 0.00 C ATOM 0 H MET A 76 -0.769 -5.019 5.844 1.00 0.00 H new ATOM 0 HA MET A 76 -0.725 -4.354 8.725 1.00 0.00 H new ATOM 0 HB2 MET A 76 -1.411 -6.961 7.317 1.00 0.00 H new ATOM 0 HB3 MET A 76 -0.741 -6.974 8.936 1.00 0.00 H new ATOM 0 HG2 MET A 76 -2.911 -5.010 8.736 1.00 0.00 H new ATOM 0 HG3 MET A 76 -3.461 -6.592 8.221 1.00 0.00 H new ATOM 0 HE1 MET A 76 -2.003 -5.355 12.383 1.00 0.00 H new ATOM 0 HE2 MET A 76 -0.997 -5.081 10.940 1.00 0.00 H new ATOM 0 HE3 MET A 76 -2.589 -4.298 11.076 1.00 0.00 H new ATOM 1164 N GLY A 77 1.682 -4.766 8.766 1.00 0.00 N ATOM 1165 CA GLY A 77 3.122 -4.951 8.809 1.00 0.00 C ATOM 1166 C GLY A 77 3.783 -3.903 9.707 1.00 0.00 C ATOM 1167 O GLY A 77 3.143 -2.934 10.110 1.00 0.00 O ATOM 0 H GLY A 77 1.310 -4.150 9.488 1.00 0.00 H new ATOM 0 HA2 GLY A 77 3.353 -5.950 9.179 1.00 0.00 H new ATOM 0 HA3 GLY A 77 3.531 -4.882 7.801 1.00 0.00 H new ATOM 1171 N SER A 78 5.057 -4.134 9.993 1.00 0.00 N ATOM 1172 CA SER A 78 5.811 -3.222 10.835 1.00 0.00 C ATOM 1173 C SER A 78 7.007 -2.664 10.061 1.00 0.00 C ATOM 1174 O SER A 78 7.313 -3.128 8.964 1.00 0.00 O ATOM 1175 CB SER A 78 6.284 -3.917 12.113 1.00 0.00 C ATOM 1176 OG SER A 78 5.792 -3.272 13.285 1.00 0.00 O ATOM 0 H SER A 78 5.585 -4.939 9.656 1.00 0.00 H new ATOM 0 HA SER A 78 5.156 -2.400 11.122 1.00 0.00 H new ATOM 0 HB2 SER A 78 5.953 -4.955 12.105 1.00 0.00 H new ATOM 0 HB3 SER A 78 7.374 -3.930 12.137 1.00 0.00 H new ATOM 0 HG SER A 78 6.115 -3.747 14.079 1.00 0.00 H new ATOM 1182 N ALA A 79 7.652 -1.675 10.663 1.00 0.00 N ATOM 1183 CA ALA A 79 8.807 -1.048 10.044 1.00 0.00 C ATOM 1184 C ALA A 79 9.911 -0.878 11.090 1.00 0.00 C ATOM 1185 O ALA A 79 10.169 0.233 11.550 1.00 0.00 O ATOM 1186 CB ALA A 79 8.390 0.283 9.415 1.00 0.00 C ATOM 0 H ALA A 79 7.396 -1.293 11.573 1.00 0.00 H new ATOM 0 HA ALA A 79 9.203 -1.676 9.246 1.00 0.00 H new ATOM 0 HB1 ALA A 79 9.257 0.753 8.951 1.00 0.00 H new ATOM 0 HB2 ALA A 79 7.625 0.104 8.659 1.00 0.00 H new ATOM 0 HB3 ALA A 79 7.990 0.941 10.187 1.00 0.00 H new