USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 568 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 35 HIS : no HD1:sc= -0.834 K(o=0.77,f=-3.6!) USER MOD Set 1.2: A 74 ASN :FLIP amide:sc= 1.6 F(o=-1,f=0.77) USER MOD Set 2.1: A 51 THR OG1 : rot 180:sc= 0.761 USER MOD Set 2.2: A 64 THR OG1 : rot -59:sc= 0.882 USER MOD Set 3.1: A 22 GLN : amide:sc= -0.236 K(o=-0.41,f=-2.1) USER MOD Set 3.2: A 26 THR OG1 : rot 180:sc= -0.174 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 MET CE :methyl -171:sc= 0 (180deg=-0.183) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -1.32 K(o=-1.3,f=-11!) USER MOD Single : A 14 ASN : amide:sc= -0.672 K(o=-0.67,f=-3.8!) USER MOD Single : A 15 THR OG1 : rot -48:sc= 1.08 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0168) USER MOD Single : A 23 ASN : amide:sc= -0.272 K(o=-0.27,f=-5.5!) USER MOD Single : A 25 ASN : amide:sc= -0.115 K(o=-0.11,f=-1.3) USER MOD Single : A 33 ASN : amide:sc= 0.27 X(o=0.27,f=0) USER MOD Single : A 37 MET CE :methyl -171:sc= -1.17 (180deg=-1.33) USER MOD Single : A 39 THR OG1 : rot -13:sc= 0.831 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN :FLIP amide:sc= 0 F(o=-0.75,f=0) USER MOD Single : A 56 SER OG : rot 170:sc= 0.846 USER MOD Single : A 62 SER OG : rot -127:sc= 1.62 USER MOD Single : A 63 THR OG1 : rot -106:sc= 0.845 USER MOD Single : A 65 MET CE :methyl 166:sc= -0.17 (180deg=-0.441) USER MOD Single : A 70 ASN : amide:sc= -0.0812 K(o=-0.081,f=-1.1!) USER MOD Single : A 71 THR OG1 : rot -140:sc= -0.0436 USER MOD Single : A 76 ASN : amide:sc= -0.0408 X(o=-0.041,f=-0.041) USER MOD Single : A 77 THR OG1 : rot 148:sc= 1.47 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 116:sc= 1.74 USER MOD Single : A 84 TYR OH : rot 63:sc= 0.149 USER MOD ----------------------------------------------------------------- ATOM 26 N TYR A 4 9.503 -2.303 -7.550 1.00 0.00 N ATOM 27 CA TYR A 4 9.415 -2.027 -6.135 1.00 0.00 C ATOM 28 C TYR A 4 7.943 -1.964 -5.786 1.00 0.00 C ATOM 29 O TYR A 4 7.102 -1.922 -6.686 1.00 0.00 O ATOM 30 CB TYR A 4 10.123 -0.709 -5.794 1.00 0.00 C ATOM 31 CG TYR A 4 9.934 0.440 -6.773 1.00 0.00 C ATOM 32 CD1 TYR A 4 8.862 1.333 -6.604 1.00 0.00 C ATOM 33 CD2 TYR A 4 10.872 0.674 -7.797 1.00 0.00 C ATOM 34 CE1 TYR A 4 8.760 2.482 -7.406 1.00 0.00 C ATOM 35 CE2 TYR A 4 10.720 1.777 -8.653 1.00 0.00 C ATOM 36 CZ TYR A 4 9.683 2.699 -8.439 1.00 0.00 C ATOM 37 OH TYR A 4 9.594 3.819 -9.211 1.00 0.00 O ATOM 0 HA TYR A 4 9.909 -2.807 -5.556 1.00 0.00 H new ATOM 0 HB2 TYR A 4 9.778 -0.381 -4.813 1.00 0.00 H new ATOM 0 HB3 TYR A 4 11.191 -0.909 -5.706 1.00 0.00 H new ATOM 0 HD1 TYR A 4 8.112 1.135 -5.853 1.00 0.00 H new ATOM 0 HD2 TYR A 4 11.710 0.004 -7.924 1.00 0.00 H new ATOM 0 HE1 TYR A 4 7.971 3.198 -7.227 1.00 0.00 H new ATOM 0 HE2 TYR A 4 11.403 1.916 -9.478 1.00 0.00 H new ATOM 0 HH TYR A 4 10.311 3.814 -9.879 1.00 0.00 H new ATOM 47 N LEU A 5 7.642 -1.950 -4.498 1.00 0.00 N ATOM 48 CA LEU A 5 6.278 -1.919 -4.008 1.00 0.00 C ATOM 49 C LEU A 5 6.276 -1.186 -2.672 1.00 0.00 C ATOM 50 O LEU A 5 6.755 -1.694 -1.652 1.00 0.00 O ATOM 51 CB LEU A 5 5.712 -3.344 -3.983 1.00 0.00 C ATOM 52 CG LEU A 5 4.192 -3.384 -3.769 1.00 0.00 C ATOM 53 CD1 LEU A 5 3.557 -4.475 -4.638 1.00 0.00 C ATOM 54 CD2 LEU A 5 3.880 -3.638 -2.292 1.00 0.00 C ATOM 0 H LEU A 5 8.345 -1.960 -3.759 1.00 0.00 H new ATOM 0 HA LEU A 5 5.605 -1.365 -4.663 1.00 0.00 H new ATOM 0 HB2 LEU A 5 5.954 -3.841 -4.922 1.00 0.00 H new ATOM 0 HB3 LEU A 5 6.200 -3.909 -3.188 1.00 0.00 H new ATOM 0 HG LEU A 5 3.772 -2.422 -4.061 1.00 0.00 H new ATOM 0 HD11 LEU A 5 2.480 -4.490 -4.474 1.00 0.00 H new ATOM 0 HD12 LEU A 5 3.761 -4.268 -5.689 1.00 0.00 H new ATOM 0 HD13 LEU A 5 3.978 -5.444 -4.370 1.00 0.00 H new ATOM 0 HD21 LEU A 5 2.800 -3.665 -2.148 1.00 0.00 H new ATOM 0 HD22 LEU A 5 4.311 -4.592 -1.988 1.00 0.00 H new ATOM 0 HD23 LEU A 5 4.307 -2.838 -1.687 1.00 0.00 H new ATOM 66 N ILE A 6 5.809 0.058 -2.725 1.00 0.00 N ATOM 67 CA ILE A 6 5.929 1.064 -1.691 1.00 0.00 C ATOM 68 C ILE A 6 4.759 2.027 -1.839 1.00 0.00 C ATOM 69 O ILE A 6 4.192 2.137 -2.931 1.00 0.00 O ATOM 70 CB ILE A 6 7.234 1.862 -1.875 1.00 0.00 C ATOM 71 CG1 ILE A 6 7.302 2.461 -3.294 1.00 0.00 C ATOM 72 CG2 ILE A 6 8.463 1.016 -1.544 1.00 0.00 C ATOM 73 CD1 ILE A 6 8.663 3.058 -3.634 1.00 0.00 C ATOM 0 H ILE A 6 5.308 0.405 -3.543 1.00 0.00 H new ATOM 0 HA ILE A 6 5.934 0.585 -0.712 1.00 0.00 H new ATOM 0 HB ILE A 6 7.233 2.690 -1.166 1.00 0.00 H new ATOM 0 HG12 ILE A 6 7.062 1.684 -4.020 1.00 0.00 H new ATOM 0 HG13 ILE A 6 6.540 3.234 -3.391 1.00 0.00 H new ATOM 0 HG21 ILE A 6 9.364 1.613 -1.685 1.00 0.00 H new ATOM 0 HG22 ILE A 6 8.407 0.683 -0.508 1.00 0.00 H new ATOM 0 HG23 ILE A 6 8.495 0.148 -2.203 1.00 0.00 H new ATOM 0 HD11 ILE A 6 8.641 3.461 -4.646 1.00 0.00 H new ATOM 0 HD12 ILE A 6 8.896 3.857 -2.930 1.00 0.00 H new ATOM 0 HD13 ILE A 6 9.427 2.283 -3.569 1.00 0.00 H new ATOM 85 N MET A 7 4.450 2.752 -0.769 1.00 0.00 N ATOM 86 CA MET A 7 3.572 3.901 -0.798 1.00 0.00 C ATOM 87 C MET A 7 4.380 5.179 -0.650 1.00 0.00 C ATOM 88 O MET A 7 5.426 5.174 0.006 1.00 0.00 O ATOM 89 CB MET A 7 2.468 3.722 0.245 1.00 0.00 C ATOM 90 CG MET A 7 2.900 3.747 1.710 1.00 0.00 C ATOM 91 SD MET A 7 1.968 2.578 2.737 1.00 0.00 S ATOM 92 CE MET A 7 0.277 3.143 2.429 1.00 0.00 C ATOM 0 H MET A 7 4.815 2.547 0.161 1.00 0.00 H new ATOM 0 HA MET A 7 3.069 3.986 -1.762 1.00 0.00 H new ATOM 0 HB2 MET A 7 1.727 4.507 0.095 1.00 0.00 H new ATOM 0 HB3 MET A 7 1.969 2.772 0.053 1.00 0.00 H new ATOM 0 HG2 MET A 7 3.963 3.513 1.775 1.00 0.00 H new ATOM 0 HG3 MET A 7 2.770 4.754 2.105 1.00 0.00 H new ATOM 0 HE1 MET A 7 -0.406 2.633 3.108 1.00 0.00 H new ATOM 0 HE2 MET A 7 0.217 4.219 2.594 1.00 0.00 H new ATOM 0 HE3 MET A 7 -0.000 2.918 1.399 1.00 0.00 H new ATOM 102 N CYS A 8 3.909 6.245 -1.295 1.00 0.00 N ATOM 103 CA CYS A 8 4.494 7.575 -1.208 1.00 0.00 C ATOM 104 C CYS A 8 3.467 8.482 -0.618 1.00 0.00 C ATOM 105 O CYS A 8 2.270 8.186 -0.620 1.00 0.00 O ATOM 106 CB CYS A 8 4.904 8.181 -2.555 1.00 0.00 C ATOM 107 SG CYS A 8 6.622 8.004 -3.070 1.00 0.00 S ATOM 0 H CYS A 8 3.092 6.204 -1.905 1.00 0.00 H new ATOM 0 HA CYS A 8 5.400 7.476 -0.610 1.00 0.00 H new ATOM 0 HB2 CYS A 8 4.276 7.737 -3.327 1.00 0.00 H new ATOM 0 HB3 CYS A 8 4.671 9.245 -2.528 1.00 0.00 H new ATOM 112 N LYS A 9 3.938 9.626 -0.132 1.00 0.00 N ATOM 113 CA LYS A 9 2.960 10.557 0.375 1.00 0.00 C ATOM 114 C LYS A 9 2.026 11.008 -0.762 1.00 0.00 C ATOM 115 O LYS A 9 0.839 11.243 -0.554 1.00 0.00 O ATOM 116 CB LYS A 9 3.575 11.723 1.139 1.00 0.00 C ATOM 117 CG LYS A 9 3.755 12.986 0.303 1.00 0.00 C ATOM 118 CD LYS A 9 4.579 14.016 1.071 1.00 0.00 C ATOM 119 CE LYS A 9 4.231 15.420 0.562 1.00 0.00 C ATOM 120 NZ LYS A 9 5.231 16.437 0.930 1.00 0.00 N ATOM 0 H LYS A 9 4.916 9.910 -0.082 1.00 0.00 H new ATOM 0 HA LYS A 9 2.359 10.035 1.120 1.00 0.00 H new ATOM 0 HB2 LYS A 9 2.944 11.955 1.997 1.00 0.00 H new ATOM 0 HB3 LYS A 9 4.545 11.417 1.530 1.00 0.00 H new ATOM 0 HG2 LYS A 9 4.250 12.741 -0.636 1.00 0.00 H new ATOM 0 HG3 LYS A 9 2.781 13.405 0.050 1.00 0.00 H new ATOM 0 HD2 LYS A 9 4.373 13.942 2.139 1.00 0.00 H new ATOM 0 HD3 LYS A 9 5.643 13.821 0.938 1.00 0.00 H new ATOM 0 HE2 LYS A 9 4.134 15.392 -0.523 1.00 0.00 H new ATOM 0 HE3 LYS A 9 3.260 15.714 0.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 4.938 17.363 0.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 5.308 16.490 1.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 6.154 16.178 0.527 1.00 0.00 H new ATOM 134 N ASN A 10 2.605 11.179 -1.951 1.00 0.00 N ATOM 135 CA ASN A 10 1.970 11.670 -3.172 1.00 0.00 C ATOM 136 C ASN A 10 2.125 10.623 -4.273 1.00 0.00 C ATOM 137 O ASN A 10 2.629 9.535 -4.035 1.00 0.00 O ATOM 138 CB ASN A 10 2.573 13.014 -3.618 1.00 0.00 C ATOM 139 CG ASN A 10 3.997 12.907 -4.144 1.00 0.00 C ATOM 140 OD1 ASN A 10 4.553 11.823 -4.209 1.00 0.00 O ATOM 141 ND2 ASN A 10 4.620 14.016 -4.513 1.00 0.00 N ATOM 0 H ASN A 10 3.592 10.965 -2.095 1.00 0.00 H new ATOM 0 HA ASN A 10 0.912 11.839 -2.972 1.00 0.00 H new ATOM 0 HB2 ASN A 10 1.941 13.445 -4.394 1.00 0.00 H new ATOM 0 HB3 ASN A 10 2.558 13.705 -2.775 1.00 0.00 H new ATOM 0 HD21 ASN A 10 5.579 13.972 -4.858 1.00 0.00 H new ATOM 0 HD22 ASN A 10 4.141 14.914 -4.452 1.00 0.00 H new ATOM 148 N CYS A 11 1.763 10.978 -5.500 1.00 0.00 N ATOM 149 CA CYS A 11 1.783 10.061 -6.639 1.00 0.00 C ATOM 150 C CYS A 11 3.177 9.831 -7.237 1.00 0.00 C ATOM 151 O CYS A 11 3.321 9.127 -8.233 1.00 0.00 O ATOM 152 CB CYS A 11 0.885 10.704 -7.691 1.00 0.00 C ATOM 153 SG CYS A 11 0.607 9.835 -9.252 1.00 0.00 S ATOM 0 H CYS A 11 1.444 11.918 -5.737 1.00 0.00 H new ATOM 0 HA CYS A 11 1.448 9.077 -6.310 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -0.089 10.877 -7.232 1.00 0.00 H new ATOM 0 HB3 CYS A 11 1.304 11.682 -7.928 1.00 0.00 H new ATOM 158 N ASP A 12 4.219 10.413 -6.645 1.00 0.00 N ATOM 159 CA ASP A 12 5.537 10.556 -7.267 1.00 0.00 C ATOM 160 C ASP A 12 6.649 9.827 -6.500 1.00 0.00 C ATOM 161 O ASP A 12 7.008 10.262 -5.407 1.00 0.00 O ATOM 162 CB ASP A 12 5.880 12.047 -7.364 1.00 0.00 C ATOM 163 CG ASP A 12 7.316 12.248 -7.798 1.00 0.00 C ATOM 164 OD1 ASP A 12 7.755 11.512 -8.707 1.00 0.00 O ATOM 165 OD2 ASP A 12 7.973 13.161 -7.257 1.00 0.00 O ATOM 0 H ASP A 12 4.172 10.805 -5.705 1.00 0.00 H new ATOM 0 HA ASP A 12 5.482 10.097 -8.254 1.00 0.00 H new ATOM 0 HB2 ASP A 12 5.211 12.532 -8.075 1.00 0.00 H new ATOM 0 HB3 ASP A 12 5.719 12.524 -6.397 1.00 0.00 H new ATOM 170 N PRO A 13 7.282 8.785 -7.066 1.00 0.00 N ATOM 171 CA PRO A 13 8.398 8.140 -6.401 1.00 0.00 C ATOM 172 C PRO A 13 9.604 9.075 -6.276 1.00 0.00 C ATOM 173 O PRO A 13 10.450 8.847 -5.408 1.00 0.00 O ATOM 174 CB PRO A 13 8.723 6.885 -7.211 1.00 0.00 C ATOM 175 CG PRO A 13 8.184 7.191 -8.609 1.00 0.00 C ATOM 176 CD PRO A 13 7.078 8.230 -8.397 1.00 0.00 C ATOM 0 HA PRO A 13 8.137 7.875 -5.376 1.00 0.00 H new ATOM 0 HB2 PRO A 13 9.795 6.691 -7.231 1.00 0.00 H new ATOM 0 HB3 PRO A 13 8.247 6.002 -6.785 1.00 0.00 H new ATOM 0 HG2 PRO A 13 8.970 7.579 -9.257 1.00 0.00 H new ATOM 0 HG3 PRO A 13 7.793 6.292 -9.085 1.00 0.00 H new ATOM 0 HD2 PRO A 13 7.129 9.011 -9.155 1.00 0.00 H new ATOM 0 HD3 PRO A 13 6.093 7.770 -8.479 1.00 0.00 H new ATOM 184 N ASN A 14 9.732 10.103 -7.127 1.00 0.00 N ATOM 185 CA ASN A 14 10.907 10.967 -7.084 1.00 0.00 C ATOM 186 C ASN A 14 10.959 11.720 -5.760 1.00 0.00 C ATOM 187 O ASN A 14 11.888 11.525 -4.980 1.00 0.00 O ATOM 188 CB ASN A 14 11.000 11.906 -8.298 1.00 0.00 C ATOM 189 CG ASN A 14 12.340 12.645 -8.340 1.00 0.00 C ATOM 190 OD1 ASN A 14 12.973 12.900 -7.318 1.00 0.00 O ATOM 191 ND2 ASN A 14 12.846 12.962 -9.527 1.00 0.00 N ATOM 0 H ASN A 14 9.046 10.349 -7.840 1.00 0.00 H new ATOM 0 HA ASN A 14 11.790 10.330 -7.146 1.00 0.00 H new ATOM 0 HB2 ASN A 14 10.873 11.330 -9.214 1.00 0.00 H new ATOM 0 HB3 ASN A 14 10.186 12.630 -8.261 1.00 0.00 H new ATOM 0 HD21 ASN A 14 13.757 13.416 -9.588 1.00 0.00 H new ATOM 0 HD22 ASN A 14 12.323 12.752 -10.377 1.00 0.00 H new ATOM 198 N THR A 15 9.970 12.567 -5.494 1.00 0.00 N ATOM 199 CA THR A 15 9.974 13.478 -4.352 1.00 0.00 C ATOM 200 C THR A 15 8.822 13.240 -3.380 1.00 0.00 C ATOM 201 O THR A 15 8.569 14.070 -2.506 1.00 0.00 O ATOM 202 CB THR A 15 9.953 14.924 -4.863 1.00 0.00 C ATOM 203 OG1 THR A 15 8.775 15.184 -5.613 1.00 0.00 O ATOM 204 CG2 THR A 15 11.178 15.231 -5.725 1.00 0.00 C ATOM 0 H THR A 15 9.133 12.642 -6.072 1.00 0.00 H new ATOM 0 HA THR A 15 10.886 13.285 -3.787 1.00 0.00 H new ATOM 0 HB THR A 15 9.970 15.571 -3.986 1.00 0.00 H new ATOM 0 HG1 THR A 15 8.636 14.465 -6.264 1.00 0.00 H new ATOM 0 HG21 THR A 15 11.130 16.264 -6.070 1.00 0.00 H new ATOM 0 HG22 THR A 15 12.083 15.087 -5.135 1.00 0.00 H new ATOM 0 HG23 THR A 15 11.195 14.562 -6.585 1.00 0.00 H new ATOM 212 N GLY A 16 8.135 12.113 -3.497 1.00 0.00 N ATOM 213 CA GLY A 16 6.975 11.842 -2.671 1.00 0.00 C ATOM 214 C GLY A 16 7.320 11.543 -1.226 1.00 0.00 C ATOM 215 O GLY A 16 6.438 11.601 -0.374 1.00 0.00 O ATOM 0 H GLY A 16 8.364 11.372 -4.159 1.00 0.00 H new ATOM 0 HA2 GLY A 16 6.305 12.701 -2.706 1.00 0.00 H new ATOM 0 HA3 GLY A 16 6.431 10.995 -3.089 1.00 0.00 H new ATOM 219 N SER A 17 8.571 11.172 -0.958 1.00 0.00 N ATOM 220 CA SER A 17 8.952 10.470 0.249 1.00 0.00 C ATOM 221 C SER A 17 8.143 9.176 0.295 1.00 0.00 C ATOM 222 O SER A 17 7.022 9.124 0.808 1.00 0.00 O ATOM 223 CB SER A 17 8.736 11.332 1.498 1.00 0.00 C ATOM 224 OG SER A 17 9.196 12.654 1.260 1.00 0.00 O ATOM 0 H SER A 17 9.353 11.357 -1.587 1.00 0.00 H new ATOM 0 HA SER A 17 10.018 10.242 0.236 1.00 0.00 H new ATOM 0 HB2 SER A 17 7.678 11.348 1.761 1.00 0.00 H new ATOM 0 HB3 SER A 17 9.268 10.900 2.345 1.00 0.00 H new ATOM 0 HG SER A 17 9.053 13.199 2.062 1.00 0.00 H new ATOM 230 N CYS A 18 8.740 8.114 -0.232 1.00 0.00 N ATOM 231 CA CYS A 18 8.145 6.788 -0.198 1.00 0.00 C ATOM 232 C CYS A 18 8.747 6.023 0.954 1.00 0.00 C ATOM 233 O CYS A 18 9.935 6.192 1.244 1.00 0.00 O ATOM 234 CB CYS A 18 8.382 6.004 -1.490 1.00 0.00 C ATOM 235 SG CYS A 18 7.092 6.003 -2.761 1.00 0.00 S ATOM 0 H CYS A 18 9.649 8.150 -0.694 1.00 0.00 H new ATOM 0 HA CYS A 18 7.068 6.908 -0.082 1.00 0.00 H new ATOM 0 HB2 CYS A 18 9.294 6.388 -1.946 1.00 0.00 H new ATOM 0 HB3 CYS A 18 8.575 4.967 -1.216 1.00 0.00 H new ATOM 240 N ASP A 19 7.964 5.171 1.606 1.00 0.00 N ATOM 241 CA ASP A 19 8.493 4.280 2.616 1.00 0.00 C ATOM 242 C ASP A 19 8.887 2.956 1.970 1.00 0.00 C ATOM 243 O ASP A 19 8.082 2.055 1.771 1.00 0.00 O ATOM 244 CB ASP A 19 7.577 4.206 3.837 1.00 0.00 C ATOM 245 CG ASP A 19 6.097 4.136 3.554 1.00 0.00 C ATOM 246 OD1 ASP A 19 5.527 5.225 3.317 1.00 0.00 O ATOM 247 OD2 ASP A 19 5.542 3.031 3.682 1.00 0.00 O ATOM 0 H ASP A 19 6.960 5.083 1.448 1.00 0.00 H new ATOM 0 HA ASP A 19 9.418 4.674 3.038 1.00 0.00 H new ATOM 0 HB2 ASP A 19 7.856 3.330 4.422 1.00 0.00 H new ATOM 0 HB3 ASP A 19 7.766 5.080 4.461 1.00 0.00 H new ATOM 252 N TRP A 20 10.179 2.813 1.692 1.00 0.00 N ATOM 253 CA TRP A 20 10.820 1.647 1.104 1.00 0.00 C ATOM 254 C TRP A 20 11.104 0.647 2.227 1.00 0.00 C ATOM 255 O TRP A 20 12.206 0.108 2.334 1.00 0.00 O ATOM 256 CB TRP A 20 12.094 2.125 0.387 1.00 0.00 C ATOM 257 CG TRP A 20 11.892 3.100 -0.743 1.00 0.00 C ATOM 258 CD1 TRP A 20 11.730 4.437 -0.633 1.00 0.00 C ATOM 259 CD2 TRP A 20 11.875 2.836 -2.175 1.00 0.00 C ATOM 260 NE1 TRP A 20 11.611 5.011 -1.878 1.00 0.00 N ATOM 261 CE2 TRP A 20 11.698 4.068 -2.877 1.00 0.00 C ATOM 262 CE3 TRP A 20 11.966 1.667 -2.948 1.00 0.00 C ATOM 263 CZ2 TRP A 20 11.616 4.133 -4.279 1.00 0.00 C ATOM 264 CZ3 TRP A 20 11.986 1.732 -4.351 1.00 0.00 C ATOM 265 CH2 TRP A 20 11.799 2.955 -5.020 1.00 0.00 C ATOM 0 H TRP A 20 10.848 3.559 1.885 1.00 0.00 H new ATOM 0 HA TRP A 20 10.192 1.144 0.368 1.00 0.00 H new ATOM 0 HB2 TRP A 20 12.750 2.586 1.125 1.00 0.00 H new ATOM 0 HB3 TRP A 20 12.617 1.251 -0.003 1.00 0.00 H new ATOM 0 HD1 TRP A 20 11.698 4.979 0.301 1.00 0.00 H new ATOM 0 HE1 TRP A 20 11.475 6.009 -2.040 1.00 0.00 H new ATOM 0 HE3 TRP A 20 12.021 0.706 -2.458 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 11.416 5.071 -4.776 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 12.147 0.831 -4.924 1.00 0.00 H new ATOM 0 HH2 TRP A 20 11.796 2.988 -6.100 1.00 0.00 H new ATOM 276 N LYS A 21 10.106 0.439 3.084 1.00 0.00 N ATOM 277 CA LYS A 21 10.166 -0.423 4.251 1.00 0.00 C ATOM 278 C LYS A 21 9.892 -1.876 3.850 1.00 0.00 C ATOM 279 O LYS A 21 9.689 -2.195 2.673 1.00 0.00 O ATOM 280 CB LYS A 21 9.159 0.077 5.311 1.00 0.00 C ATOM 281 CG LYS A 21 9.803 0.824 6.490 1.00 0.00 C ATOM 282 CD LYS A 21 10.775 -0.066 7.287 1.00 0.00 C ATOM 283 CE LYS A 21 11.084 0.431 8.709 1.00 0.00 C ATOM 284 NZ LYS A 21 11.456 1.857 8.758 1.00 0.00 N ATOM 0 H LYS A 21 9.197 0.888 2.975 1.00 0.00 H new ATOM 0 HA LYS A 21 11.165 -0.387 4.686 1.00 0.00 H new ATOM 0 HB2 LYS A 21 8.438 0.737 4.828 1.00 0.00 H new ATOM 0 HB3 LYS A 21 8.602 -0.776 5.697 1.00 0.00 H new ATOM 0 HG2 LYS A 21 10.338 1.697 6.115 1.00 0.00 H new ATOM 0 HG3 LYS A 21 9.021 1.190 7.155 1.00 0.00 H new ATOM 0 HD2 LYS A 21 10.357 -1.070 7.351 1.00 0.00 H new ATOM 0 HD3 LYS A 21 11.711 -0.145 6.733 1.00 0.00 H new ATOM 0 HE2 LYS A 21 10.211 0.268 9.342 1.00 0.00 H new ATOM 0 HE3 LYS A 21 11.896 -0.164 9.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 11.734 2.110 9.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 12.253 2.030 8.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 10.644 2.438 8.468 1.00 0.00 H new ATOM 298 N GLN A 22 9.872 -2.761 4.847 1.00 0.00 N ATOM 299 CA GLN A 22 9.306 -4.089 4.709 1.00 0.00 C ATOM 300 C GLN A 22 7.819 -3.924 4.434 1.00 0.00 C ATOM 301 O GLN A 22 7.204 -2.975 4.907 1.00 0.00 O ATOM 302 CB GLN A 22 9.499 -4.859 6.024 1.00 0.00 C ATOM 303 CG GLN A 22 9.057 -6.335 6.024 1.00 0.00 C ATOM 304 CD GLN A 22 8.811 -6.853 7.433 1.00 0.00 C ATOM 305 OE1 GLN A 22 7.770 -7.425 7.730 1.00 0.00 O ATOM 306 NE2 GLN A 22 9.715 -6.589 8.359 1.00 0.00 N ATOM 0 H GLN A 22 10.251 -2.569 5.774 1.00 0.00 H new ATOM 0 HA GLN A 22 9.790 -4.637 3.901 1.00 0.00 H new ATOM 0 HB2 GLN A 22 10.555 -4.818 6.292 1.00 0.00 H new ATOM 0 HB3 GLN A 22 8.951 -4.338 6.809 1.00 0.00 H new ATOM 0 HG2 GLN A 22 8.147 -6.441 5.434 1.00 0.00 H new ATOM 0 HG3 GLN A 22 9.822 -6.943 5.542 1.00 0.00 H new ATOM 0 HE21 GLN A 22 10.580 -6.112 8.106 1.00 0.00 H new ATOM 0 HE22 GLN A 22 9.548 -6.862 9.327 1.00 0.00 H new ATOM 315 N ASN A 23 7.253 -4.875 3.706 1.00 0.00 N ATOM 316 CA ASN A 23 5.832 -4.927 3.397 1.00 0.00 C ATOM 317 C ASN A 23 5.285 -6.352 3.469 1.00 0.00 C ATOM 318 O ASN A 23 4.071 -6.526 3.547 1.00 0.00 O ATOM 319 CB ASN A 23 5.529 -4.237 2.059 1.00 0.00 C ATOM 320 CG ASN A 23 6.156 -4.919 0.850 1.00 0.00 C ATOM 321 OD1 ASN A 23 6.428 -6.114 0.858 1.00 0.00 O ATOM 322 ND2 ASN A 23 6.424 -4.171 -0.210 1.00 0.00 N ATOM 0 H ASN A 23 7.781 -5.650 3.305 1.00 0.00 H new ATOM 0 HA ASN A 23 5.303 -4.365 4.166 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.449 -4.197 1.920 1.00 0.00 H new ATOM 0 HB3 ASN A 23 5.883 -3.207 2.106 1.00 0.00 H new ATOM 0 HD21 ASN A 23 6.861 -4.589 -1.031 1.00 0.00 H new ATOM 0 HD22 ASN A 23 6.193 -3.178 -0.205 1.00 0.00 H new ATOM 329 N TRP A 24 6.131 -7.383 3.473 1.00 0.00 N ATOM 330 CA TRP A 24 5.674 -8.754 3.406 1.00 0.00 C ATOM 331 C TRP A 24 5.500 -9.212 4.851 1.00 0.00 C ATOM 332 O TRP A 24 6.486 -9.310 5.580 1.00 0.00 O ATOM 333 CB TRP A 24 6.751 -9.590 2.711 1.00 0.00 C ATOM 334 CG TRP A 24 6.622 -9.770 1.229 1.00 0.00 C ATOM 335 CD1 TRP A 24 7.619 -9.537 0.352 1.00 0.00 C ATOM 336 CD2 TRP A 24 5.491 -10.228 0.420 1.00 0.00 C ATOM 337 NE1 TRP A 24 7.197 -9.833 -0.924 1.00 0.00 N ATOM 338 CE2 TRP A 24 5.900 -10.281 -0.945 1.00 0.00 C ATOM 339 CE3 TRP A 24 4.169 -10.627 0.695 1.00 0.00 C ATOM 340 CZ2 TRP A 24 5.053 -10.718 -1.975 1.00 0.00 C ATOM 341 CZ3 TRP A 24 3.284 -10.992 -0.338 1.00 0.00 C ATOM 342 CH2 TRP A 24 3.722 -11.036 -1.672 1.00 0.00 C ATOM 0 H TRP A 24 7.145 -7.283 3.523 1.00 0.00 H new ATOM 0 HA TRP A 24 4.742 -8.858 2.851 1.00 0.00 H new ATOM 0 HB2 TRP A 24 7.719 -9.131 2.913 1.00 0.00 H new ATOM 0 HB3 TRP A 24 6.763 -10.577 3.172 1.00 0.00 H new ATOM 0 HD1 TRP A 24 8.602 -9.173 0.612 1.00 0.00 H new ATOM 0 HE1 TRP A 24 7.779 -9.731 -1.755 1.00 0.00 H new ATOM 0 HE3 TRP A 24 3.827 -10.654 1.719 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 5.421 -10.808 -2.986 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 2.260 -11.240 -0.102 1.00 0.00 H new ATOM 0 HH2 TRP A 24 3.037 -11.313 -2.460 1.00 0.00 H new ATOM 353 N ASN A 25 4.260 -9.467 5.270 1.00 0.00 N ATOM 354 CA ASN A 25 3.901 -9.819 6.643 1.00 0.00 C ATOM 355 C ASN A 25 4.543 -8.843 7.616 1.00 0.00 C ATOM 356 O ASN A 25 5.408 -9.214 8.413 1.00 0.00 O ATOM 357 CB ASN A 25 4.260 -11.265 6.995 1.00 0.00 C ATOM 358 CG ASN A 25 3.403 -12.239 6.216 1.00 0.00 C ATOM 359 OD1 ASN A 25 2.309 -12.601 6.642 1.00 0.00 O ATOM 360 ND2 ASN A 25 3.879 -12.643 5.047 1.00 0.00 N ATOM 0 H ASN A 25 3.455 -9.433 4.645 1.00 0.00 H new ATOM 0 HA ASN A 25 2.817 -9.745 6.726 1.00 0.00 H new ATOM 0 HB2 ASN A 25 5.313 -11.446 6.777 1.00 0.00 H new ATOM 0 HB3 ASN A 25 4.123 -11.428 8.064 1.00 0.00 H new ATOM 0 HD21 ASN A 25 3.332 -13.278 4.465 1.00 0.00 H new ATOM 0 HD22 ASN A 25 4.792 -12.319 4.729 1.00 0.00 H new ATOM 367 N THR A 26 4.127 -7.584 7.523 1.00 0.00 N ATOM 368 CA THR A 26 4.581 -6.526 8.397 1.00 0.00 C ATOM 369 C THR A 26 3.384 -5.876 9.088 1.00 0.00 C ATOM 370 O THR A 26 2.238 -6.291 8.895 1.00 0.00 O ATOM 371 CB THR A 26 5.457 -5.558 7.587 1.00 0.00 C ATOM 372 OG1 THR A 26 6.491 -5.086 8.425 1.00 0.00 O ATOM 373 CG2 THR A 26 4.702 -4.415 6.904 1.00 0.00 C ATOM 0 H THR A 26 3.453 -7.273 6.823 1.00 0.00 H new ATOM 0 HA THR A 26 5.207 -6.910 9.203 1.00 0.00 H new ATOM 0 HB THR A 26 5.869 -6.119 6.748 1.00 0.00 H new ATOM 0 HG1 THR A 26 7.062 -4.467 7.923 1.00 0.00 H new ATOM 0 HG21 THR A 26 5.407 -3.788 6.358 1.00 0.00 H new ATOM 0 HG22 THR A 26 3.970 -4.827 6.210 1.00 0.00 H new ATOM 0 HG23 THR A 26 4.191 -3.815 7.657 1.00 0.00 H new ATOM 381 N CYS A 27 3.664 -4.861 9.904 1.00 0.00 N ATOM 382 CA CYS A 27 2.677 -4.154 10.698 1.00 0.00 C ATOM 383 C CYS A 27 3.213 -2.740 10.967 1.00 0.00 C ATOM 384 O CYS A 27 3.412 -2.322 12.107 1.00 0.00 O ATOM 385 CB CYS A 27 2.391 -4.973 11.968 1.00 0.00 C ATOM 386 SG CYS A 27 0.774 -4.761 12.746 1.00 0.00 S ATOM 0 H CYS A 27 4.611 -4.503 10.030 1.00 0.00 H new ATOM 0 HA CYS A 27 1.722 -4.042 10.184 1.00 0.00 H new ATOM 0 HB2 CYS A 27 2.511 -6.028 11.723 1.00 0.00 H new ATOM 0 HB3 CYS A 27 3.155 -4.728 12.706 1.00 0.00 H new ATOM 391 N VAL A 28 3.563 -2.030 9.888 1.00 0.00 N ATOM 392 CA VAL A 28 4.272 -0.750 9.909 1.00 0.00 C ATOM 393 C VAL A 28 3.257 0.394 9.848 1.00 0.00 C ATOM 394 O VAL A 28 2.396 0.394 8.971 1.00 0.00 O ATOM 395 CB VAL A 28 5.241 -0.673 8.710 1.00 0.00 C ATOM 396 CG1 VAL A 28 5.980 0.672 8.651 1.00 0.00 C ATOM 397 CG2 VAL A 28 6.296 -1.786 8.753 1.00 0.00 C ATOM 0 H VAL A 28 3.351 -2.345 8.941 1.00 0.00 H new ATOM 0 HA VAL A 28 4.848 -0.664 10.830 1.00 0.00 H new ATOM 0 HB VAL A 28 4.616 -0.789 7.825 1.00 0.00 H new ATOM 0 HG11 VAL A 28 6.651 0.681 7.792 1.00 0.00 H new ATOM 0 HG12 VAL A 28 5.256 1.481 8.555 1.00 0.00 H new ATOM 0 HG13 VAL A 28 6.559 0.810 9.564 1.00 0.00 H new ATOM 0 HG21 VAL A 28 6.957 -1.694 7.891 1.00 0.00 H new ATOM 0 HG22 VAL A 28 6.880 -1.698 9.669 1.00 0.00 H new ATOM 0 HG23 VAL A 28 5.802 -2.757 8.729 1.00 0.00 H new ATOM 407 N GLY A 29 3.366 1.374 10.749 1.00 0.00 N ATOM 408 CA GLY A 29 2.518 2.547 10.769 1.00 0.00 C ATOM 409 C GLY A 29 3.027 3.650 9.841 1.00 0.00 C ATOM 410 O GLY A 29 4.149 4.135 9.967 1.00 0.00 O ATOM 0 H GLY A 29 4.062 1.365 11.495 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.507 2.266 10.474 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.458 2.931 11.787 1.00 0.00 H new ATOM 414 N ILE A 30 2.136 4.097 8.973 1.00 0.00 N ATOM 415 CA ILE A 30 2.277 5.055 7.881 1.00 0.00 C ATOM 416 C ILE A 30 1.586 6.357 8.288 1.00 0.00 C ATOM 417 O ILE A 30 0.829 6.380 9.264 1.00 0.00 O ATOM 418 CB ILE A 30 1.591 4.481 6.620 1.00 0.00 C ATOM 419 CG1 ILE A 30 1.846 2.979 6.427 1.00 0.00 C ATOM 420 CG2 ILE A 30 1.993 5.221 5.343 1.00 0.00 C ATOM 421 CD1 ILE A 30 3.322 2.636 6.322 1.00 0.00 C ATOM 0 H ILE A 30 1.176 3.756 9.021 1.00 0.00 H new ATOM 0 HA ILE A 30 3.330 5.242 7.670 1.00 0.00 H new ATOM 0 HB ILE A 30 0.526 4.631 6.797 1.00 0.00 H new ATOM 0 HG12 ILE A 30 1.410 2.432 7.263 1.00 0.00 H new ATOM 0 HG13 ILE A 30 1.335 2.642 5.525 1.00 0.00 H new ATOM 0 HG21 ILE A 30 1.482 4.777 4.489 1.00 0.00 H new ATOM 0 HG22 ILE A 30 1.713 6.271 5.427 1.00 0.00 H new ATOM 0 HG23 ILE A 30 3.071 5.143 5.202 1.00 0.00 H new ATOM 0 HD11 ILE A 30 3.437 1.561 6.187 1.00 0.00 H new ATOM 0 HD12 ILE A 30 3.757 3.157 5.469 1.00 0.00 H new ATOM 0 HD13 ILE A 30 3.833 2.944 7.234 1.00 0.00 H new ATOM 433 N GLY A 31 1.830 7.446 7.566 1.00 0.00 N ATOM 434 CA GLY A 31 1.038 8.658 7.642 1.00 0.00 C ATOM 435 C GLY A 31 1.897 9.843 7.239 1.00 0.00 C ATOM 436 O GLY A 31 3.102 9.681 7.043 1.00 0.00 O ATOM 0 H GLY A 31 2.600 7.507 6.900 1.00 0.00 H new ATOM 0 HA2 GLY A 31 0.171 8.582 6.985 1.00 0.00 H new ATOM 0 HA3 GLY A 31 0.659 8.796 8.655 1.00 0.00 H new ATOM 440 N ALA A 32 1.272 11.015 7.181 1.00 0.00 N ATOM 441 CA ALA A 32 1.806 12.335 6.950 1.00 0.00 C ATOM 442 C ALA A 32 1.805 12.710 5.473 1.00 0.00 C ATOM 443 O ALA A 32 2.822 12.658 4.779 1.00 0.00 O ATOM 444 CB ALA A 32 3.118 12.532 7.679 1.00 0.00 C ATOM 0 H ALA A 32 0.261 11.056 7.311 1.00 0.00 H new ATOM 0 HA ALA A 32 1.132 13.067 7.395 1.00 0.00 H new ATOM 0 HB1 ALA A 32 3.495 13.536 7.485 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.962 12.404 8.750 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.843 11.798 7.328 1.00 0.00 H new ATOM 450 N ASN A 33 0.619 13.117 5.027 1.00 0.00 N ATOM 451 CA ASN A 33 0.223 13.508 3.680 1.00 0.00 C ATOM 452 C ASN A 33 -0.059 12.279 2.819 1.00 0.00 C ATOM 453 O ASN A 33 -0.244 12.429 1.615 1.00 0.00 O ATOM 454 CB ASN A 33 1.220 14.432 2.959 1.00 0.00 C ATOM 455 CG ASN A 33 1.678 15.630 3.774 1.00 0.00 C ATOM 456 OD1 ASN A 33 1.039 16.681 3.775 1.00 0.00 O ATOM 457 ND2 ASN A 33 2.811 15.492 4.446 1.00 0.00 N ATOM 0 H ASN A 33 -0.170 13.188 5.670 1.00 0.00 H new ATOM 0 HA ASN A 33 -0.687 14.093 3.814 1.00 0.00 H new ATOM 0 HB2 ASN A 33 2.095 13.848 2.674 1.00 0.00 H new ATOM 0 HB3 ASN A 33 0.761 14.790 2.037 1.00 0.00 H new ATOM 0 HD21 ASN A 33 3.181 16.273 4.988 1.00 0.00 H new ATOM 0 HD22 ASN A 33 3.314 14.605 4.422 1.00 0.00 H new ATOM 464 N VAL A 34 -0.058 11.074 3.394 1.00 0.00 N ATOM 465 CA VAL A 34 0.007 9.843 2.611 1.00 0.00 C ATOM 466 C VAL A 34 -1.362 9.399 2.109 1.00 0.00 C ATOM 467 O VAL A 34 -2.235 9.086 2.917 1.00 0.00 O ATOM 468 CB VAL A 34 0.691 8.725 3.425 1.00 0.00 C ATOM 469 CG1 VAL A 34 0.796 7.439 2.594 1.00 0.00 C ATOM 470 CG2 VAL A 34 2.099 9.111 3.906 1.00 0.00 C ATOM 0 H VAL A 34 -0.102 10.927 4.402 1.00 0.00 H new ATOM 0 HA VAL A 34 0.609 10.051 1.726 1.00 0.00 H new ATOM 0 HB VAL A 34 0.064 8.565 4.302 1.00 0.00 H new ATOM 0 HG11 VAL A 34 1.281 6.662 3.185 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.202 7.108 2.309 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.384 7.633 1.697 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.529 8.285 4.473 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.731 9.328 3.045 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.037 9.994 4.542 1.00 0.00 H new ATOM 480 N HIS A 35 -1.542 9.331 0.786 1.00 0.00 N ATOM 481 CA HIS A 35 -2.654 8.604 0.184 1.00 0.00 C ATOM 482 C HIS A 35 -2.301 7.960 -1.162 1.00 0.00 C ATOM 483 O HIS A 35 -3.159 7.931 -2.042 1.00 0.00 O ATOM 484 CB HIS A 35 -3.908 9.490 0.103 1.00 0.00 C ATOM 485 CG HIS A 35 -3.806 10.714 -0.768 1.00 0.00 C ATOM 486 ND1 HIS A 35 -4.601 11.015 -1.853 1.00 0.00 N ATOM 487 CD2 HIS A 35 -2.974 11.774 -0.560 1.00 0.00 C ATOM 488 CE1 HIS A 35 -4.254 12.244 -2.274 1.00 0.00 C ATOM 489 NE2 HIS A 35 -3.223 12.728 -1.552 1.00 0.00 N ATOM 0 H HIS A 35 -0.923 9.777 0.109 1.00 0.00 H new ATOM 0 HA HIS A 35 -2.880 7.768 0.845 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -4.735 8.880 -0.260 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -4.167 9.809 1.113 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -2.248 11.862 0.234 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -4.737 12.773 -3.083 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -2.728 13.607 -1.699 1.00 0.00 H new ATOM 497 N TRP A 36 -1.076 7.458 -1.367 1.00 0.00 N ATOM 498 CA TRP A 36 -0.724 6.875 -2.666 1.00 0.00 C ATOM 499 C TRP A 36 0.135 5.627 -2.523 1.00 0.00 C ATOM 500 O TRP A 36 1.205 5.695 -1.930 1.00 0.00 O ATOM 501 CB TRP A 36 0.013 7.909 -3.503 1.00 0.00 C ATOM 502 CG TRP A 36 -0.814 9.098 -3.852 1.00 0.00 C ATOM 503 CD1 TRP A 36 -1.059 10.135 -3.032 1.00 0.00 C ATOM 504 CD2 TRP A 36 -1.648 9.317 -5.022 1.00 0.00 C ATOM 505 NE1 TRP A 36 -1.895 11.031 -3.652 1.00 0.00 N ATOM 506 CE2 TRP A 36 -2.320 10.563 -4.873 1.00 0.00 C ATOM 507 CE3 TRP A 36 -1.948 8.561 -6.169 1.00 0.00 C ATOM 508 CZ2 TRP A 36 -3.217 11.054 -5.831 1.00 0.00 C ATOM 509 CZ3 TRP A 36 -2.833 9.049 -7.146 1.00 0.00 C ATOM 510 CH2 TRP A 36 -3.444 10.306 -6.995 1.00 0.00 C ATOM 0 H TRP A 36 -0.331 7.443 -0.670 1.00 0.00 H new ATOM 0 HA TRP A 36 -1.651 6.580 -3.158 1.00 0.00 H new ATOM 0 HB2 TRP A 36 0.898 8.240 -2.959 1.00 0.00 H new ATOM 0 HB3 TRP A 36 0.362 7.438 -4.422 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -0.658 10.247 -2.035 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -2.167 11.931 -3.256 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -1.492 7.591 -6.301 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -3.726 11.994 -5.675 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -3.046 8.453 -8.021 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -4.086 10.694 -7.772 1.00 0.00 H new ATOM 521 N MET A 37 -0.298 4.507 -3.100 1.00 0.00 N ATOM 522 CA MET A 37 0.575 3.381 -3.377 1.00 0.00 C ATOM 523 C MET A 37 1.227 3.689 -4.720 1.00 0.00 C ATOM 524 O MET A 37 0.530 4.095 -5.645 1.00 0.00 O ATOM 525 CB MET A 37 -0.218 2.067 -3.388 1.00 0.00 C ATOM 526 CG MET A 37 0.698 0.849 -3.387 1.00 0.00 C ATOM 527 SD MET A 37 1.554 0.664 -1.810 1.00 0.00 S ATOM 528 CE MET A 37 2.474 -0.829 -2.132 1.00 0.00 C ATOM 0 H MET A 37 -1.266 4.360 -3.387 1.00 0.00 H new ATOM 0 HA MET A 37 1.336 3.247 -2.608 1.00 0.00 H new ATOM 0 HB2 MET A 37 -0.871 2.030 -2.516 1.00 0.00 H new ATOM 0 HB3 MET A 37 -0.860 2.038 -4.269 1.00 0.00 H new ATOM 0 HG2 MET A 37 0.113 -0.047 -3.591 1.00 0.00 H new ATOM 0 HG3 MET A 37 1.429 0.942 -4.190 1.00 0.00 H new ATOM 0 HE1 MET A 37 2.936 -1.178 -1.209 1.00 0.00 H new ATOM 0 HE2 MET A 37 1.800 -1.596 -2.513 1.00 0.00 H new ATOM 0 HE3 MET A 37 3.249 -0.627 -2.872 1.00 0.00 H new ATOM 538 N VAL A 38 2.545 3.564 -4.827 1.00 0.00 N ATOM 539 CA VAL A 38 3.281 3.981 -6.011 1.00 0.00 C ATOM 540 C VAL A 38 4.269 2.867 -6.326 1.00 0.00 C ATOM 541 O VAL A 38 5.410 2.879 -5.868 1.00 0.00 O ATOM 542 CB VAL A 38 3.933 5.351 -5.755 1.00 0.00 C ATOM 543 CG1 VAL A 38 4.630 5.874 -7.011 1.00 0.00 C ATOM 544 CG2 VAL A 38 2.878 6.394 -5.362 1.00 0.00 C ATOM 0 H VAL A 38 3.133 3.170 -4.093 1.00 0.00 H new ATOM 0 HA VAL A 38 2.642 4.125 -6.882 1.00 0.00 H new ATOM 0 HB VAL A 38 4.654 5.207 -4.950 1.00 0.00 H new ATOM 0 HG11 VAL A 38 5.081 6.843 -6.800 1.00 0.00 H new ATOM 0 HG12 VAL A 38 5.406 5.171 -7.316 1.00 0.00 H new ATOM 0 HG13 VAL A 38 3.901 5.981 -7.814 1.00 0.00 H new ATOM 0 HG21 VAL A 38 3.363 7.354 -5.186 1.00 0.00 H new ATOM 0 HG22 VAL A 38 2.151 6.497 -6.167 1.00 0.00 H new ATOM 0 HG23 VAL A 38 2.370 6.073 -4.453 1.00 0.00 H new ATOM 554 N THR A 39 3.803 1.856 -7.057 1.00 0.00 N ATOM 555 CA THR A 39 4.558 0.626 -7.220 1.00 0.00 C ATOM 556 C THR A 39 5.389 0.717 -8.506 1.00 0.00 C ATOM 557 O THR A 39 4.980 1.333 -9.493 1.00 0.00 O ATOM 558 CB THR A 39 3.606 -0.581 -7.111 1.00 0.00 C ATOM 559 OG1 THR A 39 4.289 -1.756 -6.722 1.00 0.00 O ATOM 560 CG2 THR A 39 2.792 -0.847 -8.372 1.00 0.00 C ATOM 0 H THR A 39 2.907 1.869 -7.543 1.00 0.00 H new ATOM 0 HA THR A 39 5.284 0.476 -6.421 1.00 0.00 H new ATOM 0 HB THR A 39 2.897 -0.303 -6.332 1.00 0.00 H new ATOM 0 HG1 THR A 39 5.256 -1.612 -6.796 1.00 0.00 H new ATOM 0 HG21 THR A 39 2.148 -1.712 -8.214 1.00 0.00 H new ATOM 0 HG22 THR A 39 2.179 0.025 -8.600 1.00 0.00 H new ATOM 0 HG23 THR A 39 3.466 -1.045 -9.205 1.00 0.00 H new ATOM 568 N GLY A 40 6.590 0.148 -8.471 1.00 0.00 N ATOM 569 CA GLY A 40 7.538 0.163 -9.568 1.00 0.00 C ATOM 570 C GLY A 40 7.078 -0.732 -10.707 1.00 0.00 C ATOM 571 O GLY A 40 6.046 -1.392 -10.618 1.00 0.00 O ATOM 0 H GLY A 40 6.936 -0.350 -7.651 1.00 0.00 H new ATOM 0 HA2 GLY A 40 7.661 1.183 -9.931 1.00 0.00 H new ATOM 0 HA3 GLY A 40 8.514 -0.169 -9.213 1.00 0.00 H new ATOM 626 N LYS A 46 3.284 -8.937 -12.596 1.00 0.00 N ATOM 627 CA LYS A 46 1.850 -8.747 -12.498 1.00 0.00 C ATOM 628 C LYS A 46 1.585 -7.860 -11.289 1.00 0.00 C ATOM 629 O LYS A 46 2.463 -7.673 -10.449 1.00 0.00 O ATOM 630 CB LYS A 46 1.120 -10.095 -12.434 1.00 0.00 C ATOM 631 CG LYS A 46 1.789 -11.010 -11.414 1.00 0.00 C ATOM 632 CD LYS A 46 1.048 -12.331 -11.192 1.00 0.00 C ATOM 633 CE LYS A 46 1.310 -13.338 -12.322 1.00 0.00 C ATOM 634 NZ LYS A 46 2.635 -13.986 -12.217 1.00 0.00 N ATOM 0 HA LYS A 46 1.457 -8.253 -13.387 1.00 0.00 H new ATOM 0 HB2 LYS A 46 0.076 -9.939 -12.163 1.00 0.00 H new ATOM 0 HB3 LYS A 46 1.127 -10.567 -13.416 1.00 0.00 H new ATOM 0 HG2 LYS A 46 2.805 -11.225 -11.744 1.00 0.00 H new ATOM 0 HG3 LYS A 46 1.867 -10.483 -10.463 1.00 0.00 H new ATOM 0 HD2 LYS A 46 1.358 -12.765 -10.241 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -0.022 -12.138 -11.120 1.00 0.00 H new ATOM 0 HE2 LYS A 46 0.534 -14.104 -12.307 1.00 0.00 H new ATOM 0 HE3 LYS A 46 1.236 -12.827 -13.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 2.758 -14.655 -13.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 3.380 -13.262 -12.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 2.700 -14.498 -11.314 1.00 0.00 H new ATOM 648 N GLN A 47 0.377 -7.312 -11.208 1.00 0.00 N ATOM 649 CA GLN A 47 -0.010 -6.462 -10.103 1.00 0.00 C ATOM 650 C GLN A 47 0.236 -7.134 -8.759 1.00 0.00 C ATOM 651 O GLN A 47 0.008 -8.338 -8.615 1.00 0.00 O ATOM 652 CB GLN A 47 -1.477 -6.046 -10.249 1.00 0.00 C ATOM 653 CG GLN A 47 -2.497 -7.156 -9.969 1.00 0.00 C ATOM 654 CD GLN A 47 -3.900 -6.732 -10.384 1.00 0.00 C ATOM 655 OE1 GLN A 47 -4.173 -5.435 -10.442 1.00 0.00 O flip ATOM 656 NE2 GLN A 47 -4.760 -7.564 -10.664 1.00 0.00 N flip ATOM 0 H GLN A 47 -0.354 -7.448 -11.906 1.00 0.00 H new ATOM 0 HA GLN A 47 0.614 -5.569 -10.131 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -1.672 -5.215 -9.572 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -1.635 -5.676 -11.262 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -2.213 -8.059 -10.509 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -2.488 -7.403 -8.907 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -4.541 -8.559 -10.617 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -5.692 -7.259 -10.944 1.00 0.00 H new ATOM 665 N GLY A 48 0.627 -6.326 -7.778 1.00 0.00 N ATOM 666 CA GLY A 48 0.647 -6.734 -6.387 1.00 0.00 C ATOM 667 C GLY A 48 -0.515 -6.035 -5.700 1.00 0.00 C ATOM 668 O GLY A 48 -0.946 -4.970 -6.164 1.00 0.00 O ATOM 0 H GLY A 48 0.939 -5.367 -7.932 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.550 -7.816 -6.302 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.592 -6.460 -5.919 1.00 0.00 H new ATOM 672 N CYS A 49 -1.056 -6.595 -4.618 1.00 0.00 N ATOM 673 CA CYS A 49 -2.098 -5.936 -3.888 1.00 0.00 C ATOM 674 C CYS A 49 -1.644 -5.881 -2.462 1.00 0.00 C ATOM 675 O CYS A 49 -0.988 -6.801 -1.986 1.00 0.00 O ATOM 676 CB CYS A 49 -3.423 -6.669 -4.003 1.00 0.00 C ATOM 677 SG CYS A 49 -3.988 -7.119 -5.663 1.00 0.00 S ATOM 0 H CYS A 49 -0.779 -7.502 -4.241 1.00 0.00 H new ATOM 0 HA CYS A 49 -2.272 -4.939 -4.292 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -3.355 -7.582 -3.412 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -4.192 -6.048 -3.543 1.00 0.00 H new ATOM 682 N ALA A 50 -1.981 -4.796 -1.789 1.00 0.00 N ATOM 683 CA ALA A 50 -1.596 -4.532 -0.421 1.00 0.00 C ATOM 684 C ALA A 50 -2.872 -4.348 0.361 1.00 0.00 C ATOM 685 O ALA A 50 -3.703 -3.535 -0.027 1.00 0.00 O ATOM 686 CB ALA A 50 -0.712 -3.283 -0.341 1.00 0.00 C ATOM 0 H ALA A 50 -2.549 -4.052 -2.196 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.011 -5.356 -0.011 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -0.433 -3.101 0.697 1.00 0.00 H new ATOM 0 HB2 ALA A 50 0.187 -3.435 -0.938 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.261 -2.423 -0.725 1.00 0.00 H new ATOM 692 N THR A 51 -3.040 -5.088 1.448 1.00 0.00 N ATOM 693 CA THR A 51 -4.123 -4.767 2.355 1.00 0.00 C ATOM 694 C THR A 51 -3.604 -3.668 3.259 1.00 0.00 C ATOM 695 O THR A 51 -2.571 -3.825 3.905 1.00 0.00 O ATOM 696 CB THR A 51 -4.662 -6.019 3.041 1.00 0.00 C ATOM 697 OG1 THR A 51 -5.205 -6.804 1.995 1.00 0.00 O ATOM 698 CG2 THR A 51 -5.792 -5.699 4.025 1.00 0.00 C ATOM 0 H THR A 51 -2.462 -5.885 1.714 1.00 0.00 H new ATOM 0 HA THR A 51 -5.010 -4.386 1.849 1.00 0.00 H new ATOM 0 HB THR A 51 -3.869 -6.510 3.605 1.00 0.00 H new ATOM 0 HG1 THR A 51 -5.572 -7.634 2.365 1.00 0.00 H new ATOM 0 HG21 THR A 51 -6.143 -6.621 4.488 1.00 0.00 H new ATOM 0 HG22 THR A 51 -5.422 -5.023 4.796 1.00 0.00 H new ATOM 0 HG23 THR A 51 -6.616 -5.225 3.491 1.00 0.00 H new ATOM 706 N ILE A 52 -4.277 -2.525 3.192 1.00 0.00 N ATOM 707 CA ILE A 52 -4.009 -1.346 3.982 1.00 0.00 C ATOM 708 C ILE A 52 -4.986 -1.415 5.162 1.00 0.00 C ATOM 709 O ILE A 52 -6.059 -2.001 5.009 1.00 0.00 O ATOM 710 CB ILE A 52 -4.221 -0.099 3.099 1.00 0.00 C ATOM 711 CG1 ILE A 52 -3.465 -0.264 1.766 1.00 0.00 C ATOM 712 CG2 ILE A 52 -3.758 1.175 3.815 1.00 0.00 C ATOM 713 CD1 ILE A 52 -3.452 1.002 0.906 1.00 0.00 C ATOM 0 H ILE A 52 -5.061 -2.397 2.552 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.986 -1.290 4.355 1.00 0.00 H new ATOM 0 HB ILE A 52 -5.288 -0.002 2.899 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.437 -0.561 1.976 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -3.921 -1.074 1.197 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.920 2.036 3.167 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -4.327 1.302 4.736 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.697 1.094 4.052 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -2.902 0.810 -0.016 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -4.476 1.289 0.665 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.969 1.810 1.455 1.00 0.00 H new ATOM 725 N TRP A 53 -4.634 -0.860 6.320 1.00 0.00 N ATOM 726 CA TRP A 53 -5.400 -0.905 7.559 1.00 0.00 C ATOM 727 C TRP A 53 -5.580 0.488 8.158 1.00 0.00 C ATOM 728 O TRP A 53 -4.764 1.378 7.913 1.00 0.00 O ATOM 729 CB TRP A 53 -4.650 -1.763 8.581 1.00 0.00 C ATOM 730 CG TRP A 53 -4.958 -3.220 8.560 1.00 0.00 C ATOM 731 CD1 TRP A 53 -5.971 -3.806 9.226 1.00 0.00 C ATOM 732 CD2 TRP A 53 -4.296 -4.290 7.835 1.00 0.00 C ATOM 733 NE1 TRP A 53 -5.968 -5.160 8.992 1.00 0.00 N ATOM 734 CE2 TRP A 53 -4.965 -5.518 8.121 1.00 0.00 C ATOM 735 CE3 TRP A 53 -3.211 -4.339 6.943 1.00 0.00 C ATOM 736 CZ2 TRP A 53 -4.572 -6.739 7.554 1.00 0.00 C ATOM 737 CZ3 TRP A 53 -2.808 -5.557 6.374 1.00 0.00 C ATOM 738 CH2 TRP A 53 -3.475 -6.757 6.679 1.00 0.00 C ATOM 0 H TRP A 53 -3.762 -0.341 6.422 1.00 0.00 H new ATOM 0 HA TRP A 53 -6.380 -1.323 7.330 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -3.580 -1.635 8.418 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -4.868 -1.380 9.578 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -6.682 -3.288 9.852 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -6.626 -5.817 9.411 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -2.682 -3.431 6.693 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -5.104 -7.649 7.787 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -1.972 -5.573 5.691 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -3.145 -7.688 6.242 1.00 0.00 H new ATOM 749 N GLU A 54 -6.610 0.623 8.993 1.00 0.00 N ATOM 750 CA GLU A 54 -6.979 1.811 9.745 1.00 0.00 C ATOM 751 C GLU A 54 -6.162 1.939 11.037 1.00 0.00 C ATOM 752 O GLU A 54 -5.708 3.014 11.424 1.00 0.00 O ATOM 753 CB GLU A 54 -8.466 1.614 10.049 1.00 0.00 C ATOM 754 CG GLU A 54 -9.160 2.636 10.946 1.00 0.00 C ATOM 755 CD GLU A 54 -10.595 2.189 11.140 1.00 0.00 C ATOM 756 OE1 GLU A 54 -10.770 1.030 11.582 1.00 0.00 O ATOM 757 OE2 GLU A 54 -11.503 2.959 10.770 1.00 0.00 O ATOM 0 H GLU A 54 -7.250 -0.151 9.171 1.00 0.00 H new ATOM 0 HA GLU A 54 -6.782 2.727 9.189 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -9.000 1.588 9.099 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -8.585 0.633 10.508 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -8.650 2.709 11.907 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.127 3.626 10.492 1.00 0.00 H new ATOM 764 N GLY A 55 -6.009 0.835 11.755 1.00 0.00 N ATOM 765 CA GLY A 55 -5.393 0.819 13.066 1.00 0.00 C ATOM 766 C GLY A 55 -3.892 1.023 12.967 1.00 0.00 C ATOM 767 O GLY A 55 -3.232 0.376 12.155 1.00 0.00 O ATOM 0 H GLY A 55 -6.315 -0.084 11.435 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -5.829 1.602 13.686 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -5.602 -0.131 13.558 1.00 0.00 H new ATOM 771 N SER A 56 -3.348 1.882 13.832 1.00 0.00 N ATOM 772 CA SER A 56 -1.913 2.054 14.001 1.00 0.00 C ATOM 773 C SER A 56 -1.257 0.706 14.300 1.00 0.00 C ATOM 774 O SER A 56 -1.334 0.240 15.431 1.00 0.00 O ATOM 775 CB SER A 56 -1.621 3.035 15.146 1.00 0.00 C ATOM 776 OG SER A 56 -2.074 4.347 14.838 1.00 0.00 O ATOM 0 H SER A 56 -3.904 2.483 14.440 1.00 0.00 H new ATOM 0 HA SER A 56 -1.502 2.459 13.076 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.106 2.686 16.058 1.00 0.00 H new ATOM 0 HB3 SER A 56 -0.549 3.056 15.344 1.00 0.00 H new ATOM 0 HG SER A 56 -2.022 4.908 15.640 1.00 0.00 H new ATOM 782 N GLY A 57 -0.613 0.109 13.303 1.00 0.00 N ATOM 783 CA GLY A 57 -0.002 -1.190 13.375 1.00 0.00 C ATOM 784 C GLY A 57 -0.374 -1.937 12.108 1.00 0.00 C ATOM 785 O GLY A 57 0.448 -2.054 11.207 1.00 0.00 O ATOM 0 H GLY A 57 -0.504 0.546 12.388 1.00 0.00 H new ATOM 0 HA2 GLY A 57 1.081 -1.101 13.464 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.351 -1.730 14.255 1.00 0.00 H new ATOM 789 N CYS A 58 -1.619 -2.414 12.047 1.00 0.00 N ATOM 790 CA CYS A 58 -2.223 -3.266 11.022 1.00 0.00 C ATOM 791 C CYS A 58 -3.449 -3.989 11.584 1.00 0.00 C ATOM 792 O CYS A 58 -3.672 -5.162 11.303 1.00 0.00 O ATOM 793 CB CYS A 58 -1.250 -4.262 10.370 1.00 0.00 C ATOM 794 SG CYS A 58 -0.606 -5.605 11.401 1.00 0.00 S ATOM 0 H CYS A 58 -2.291 -2.193 12.782 1.00 0.00 H new ATOM 0 HA CYS A 58 -2.528 -2.595 10.219 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -1.752 -4.709 9.512 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -0.401 -3.698 9.984 1.00 0.00 H new ATOM 799 N VAL A 59 -4.283 -3.280 12.347 1.00 0.00 N ATOM 800 CA VAL A 59 -5.526 -3.776 12.901 1.00 0.00 C ATOM 801 C VAL A 59 -6.619 -2.807 12.457 1.00 0.00 C ATOM 802 O VAL A 59 -6.310 -1.818 11.800 1.00 0.00 O ATOM 803 CB VAL A 59 -5.376 -3.863 14.424 1.00 0.00 C ATOM 804 CG1 VAL A 59 -4.323 -4.914 14.801 1.00 0.00 C ATOM 805 CG2 VAL A 59 -5.036 -2.530 15.105 1.00 0.00 C ATOM 0 H VAL A 59 -4.096 -2.310 12.600 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.787 -4.776 12.553 1.00 0.00 H new ATOM 0 HB VAL A 59 -6.359 -4.155 14.793 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -4.229 -4.962 15.886 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -4.628 -5.888 14.419 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -3.362 -4.639 14.366 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -4.948 -2.683 16.181 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -4.091 -2.152 14.714 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -5.827 -1.807 14.905 1.00 0.00 H new ATOM 815 N GLY A 60 -7.885 -3.061 12.764 1.00 0.00 N ATOM 816 CA GLY A 60 -8.955 -2.137 12.412 1.00 0.00 C ATOM 817 C GLY A 60 -9.405 -2.361 10.973 1.00 0.00 C ATOM 818 O GLY A 60 -9.078 -3.383 10.366 1.00 0.00 O ATOM 0 H GLY A 60 -8.195 -3.899 13.256 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -9.799 -2.274 13.088 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -8.611 -1.110 12.536 1.00 0.00 H new ATOM 822 N ARG A 61 -10.185 -1.439 10.413 1.00 0.00 N ATOM 823 CA ARG A 61 -10.810 -1.690 9.126 1.00 0.00 C ATOM 824 C ARG A 61 -9.759 -1.596 8.046 1.00 0.00 C ATOM 825 O ARG A 61 -8.728 -0.958 8.240 1.00 0.00 O ATOM 826 CB ARG A 61 -12.024 -0.784 8.886 1.00 0.00 C ATOM 827 CG ARG A 61 -13.139 -1.620 8.249 1.00 0.00 C ATOM 828 CD ARG A 61 -14.408 -0.799 8.027 1.00 0.00 C ATOM 829 NE ARG A 61 -15.438 -1.632 7.384 1.00 0.00 N ATOM 830 CZ ARG A 61 -16.344 -1.192 6.500 1.00 0.00 C ATOM 831 NH1 ARG A 61 -16.406 0.109 6.213 1.00 0.00 N ATOM 832 NH2 ARG A 61 -17.159 -2.062 5.906 1.00 0.00 N ATOM 0 H ARG A 61 -10.394 -0.529 10.824 1.00 0.00 H new ATOM 0 HA ARG A 61 -11.219 -2.700 9.109 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -12.365 -0.352 9.827 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -11.754 0.046 8.233 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -12.794 -2.020 7.296 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -13.365 -2.473 8.889 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -14.777 -0.420 8.980 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -14.187 0.067 7.403 1.00 0.00 H new ATOM 0 HE ARG A 61 -15.464 -2.621 7.631 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -15.766 0.762 6.665 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -17.093 0.451 5.541 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -17.091 -3.056 6.125 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -17.851 -1.734 5.232 1.00 0.00 H new ATOM 846 N SER A 62 -9.946 -2.357 6.975 1.00 0.00 N ATOM 847 CA SER A 62 -8.865 -2.629 6.064 1.00 0.00 C ATOM 848 C SER A 62 -9.374 -2.765 4.633 1.00 0.00 C ATOM 849 O SER A 62 -10.570 -2.958 4.415 1.00 0.00 O ATOM 850 CB SER A 62 -8.069 -3.844 6.562 1.00 0.00 C ATOM 851 OG SER A 62 -8.586 -4.399 7.768 1.00 0.00 O ATOM 0 H SER A 62 -10.835 -2.790 6.725 1.00 0.00 H new ATOM 0 HA SER A 62 -8.175 -1.786 6.041 1.00 0.00 H new ATOM 0 HB2 SER A 62 -8.068 -4.611 5.788 1.00 0.00 H new ATOM 0 HB3 SER A 62 -7.031 -3.550 6.721 1.00 0.00 H new ATOM 0 HG SER A 62 -7.866 -4.474 8.429 1.00 0.00 H new ATOM 857 N THR A 63 -8.477 -2.635 3.662 1.00 0.00 N ATOM 858 CA THR A 63 -8.831 -2.481 2.257 1.00 0.00 C ATOM 859 C THR A 63 -7.686 -3.006 1.395 1.00 0.00 C ATOM 860 O THR A 63 -6.582 -2.467 1.467 1.00 0.00 O ATOM 861 CB THR A 63 -9.116 -0.992 1.966 1.00 0.00 C ATOM 862 OG1 THR A 63 -8.544 -0.165 2.962 1.00 0.00 O ATOM 863 CG2 THR A 63 -10.618 -0.720 1.874 1.00 0.00 C ATOM 0 H THR A 63 -7.471 -2.634 3.831 1.00 0.00 H new ATOM 0 HA THR A 63 -9.729 -3.053 2.023 1.00 0.00 H new ATOM 0 HB THR A 63 -8.661 -0.758 1.004 1.00 0.00 H new ATOM 0 HG1 THR A 63 -9.251 0.180 3.547 1.00 0.00 H new ATOM 0 HG21 THR A 63 -10.784 0.337 1.668 1.00 0.00 H new ATOM 0 HG22 THR A 63 -11.047 -1.318 1.070 1.00 0.00 H new ATOM 0 HG23 THR A 63 -11.094 -0.985 2.818 1.00 0.00 H new ATOM 871 N THR A 64 -7.928 -4.051 0.606 1.00 0.00 N ATOM 872 CA THR A 64 -6.979 -4.546 -0.376 1.00 0.00 C ATOM 873 C THR A 64 -6.888 -3.560 -1.540 1.00 0.00 C ATOM 874 O THR A 64 -7.762 -3.535 -2.406 1.00 0.00 O ATOM 875 CB THR A 64 -7.376 -5.967 -0.785 1.00 0.00 C ATOM 876 OG1 THR A 64 -7.573 -6.720 0.399 1.00 0.00 O ATOM 877 CG2 THR A 64 -6.301 -6.657 -1.625 1.00 0.00 C ATOM 0 H THR A 64 -8.799 -4.580 0.635 1.00 0.00 H new ATOM 0 HA THR A 64 -5.974 -4.614 0.040 1.00 0.00 H new ATOM 0 HB THR A 64 -8.279 -5.907 -1.392 1.00 0.00 H new ATOM 0 HG1 THR A 64 -6.749 -6.717 0.929 1.00 0.00 H new ATOM 0 HG21 THR A 64 -6.633 -7.661 -1.888 1.00 0.00 H new ATOM 0 HG22 THR A 64 -6.126 -6.083 -2.535 1.00 0.00 H new ATOM 0 HG23 THR A 64 -5.376 -6.719 -1.052 1.00 0.00 H new ATOM 885 N MET A 65 -5.844 -2.737 -1.532 1.00 0.00 N ATOM 886 CA MET A 65 -5.489 -1.849 -2.616 1.00 0.00 C ATOM 887 C MET A 65 -4.670 -2.649 -3.627 1.00 0.00 C ATOM 888 O MET A 65 -3.498 -2.950 -3.385 1.00 0.00 O ATOM 889 CB MET A 65 -4.674 -0.689 -2.033 1.00 0.00 C ATOM 890 CG MET A 65 -4.661 0.515 -2.976 1.00 0.00 C ATOM 891 SD MET A 65 -6.260 1.314 -3.292 1.00 0.00 S ATOM 892 CE MET A 65 -7.006 1.350 -1.643 1.00 0.00 C ATOM 0 H MET A 65 -5.205 -2.673 -0.740 1.00 0.00 H new ATOM 0 HA MET A 65 -6.368 -1.442 -3.116 1.00 0.00 H new ATOM 0 HB2 MET A 65 -5.094 -0.395 -1.071 1.00 0.00 H new ATOM 0 HB3 MET A 65 -3.652 -1.018 -1.847 1.00 0.00 H new ATOM 0 HG2 MET A 65 -3.981 1.262 -2.566 1.00 0.00 H new ATOM 0 HG3 MET A 65 -4.245 0.196 -3.931 1.00 0.00 H new ATOM 0 HE1 MET A 65 -7.862 2.024 -1.646 1.00 0.00 H new ATOM 0 HE2 MET A 65 -7.335 0.347 -1.370 1.00 0.00 H new ATOM 0 HE3 MET A 65 -6.271 1.700 -0.919 1.00 0.00 H new ATOM 902 N CYS A 66 -5.274 -3.036 -4.744 1.00 0.00 N ATOM 903 CA CYS A 66 -4.548 -3.696 -5.821 1.00 0.00 C ATOM 904 C CYS A 66 -3.923 -2.625 -6.689 1.00 0.00 C ATOM 905 O CYS A 66 -4.479 -1.536 -6.822 1.00 0.00 O ATOM 906 CB CYS A 66 -5.440 -4.612 -6.652 1.00 0.00 C ATOM 907 SG CYS A 66 -5.848 -6.191 -5.875 1.00 0.00 S ATOM 0 H CYS A 66 -6.269 -2.903 -4.927 1.00 0.00 H new ATOM 0 HA CYS A 66 -3.781 -4.337 -5.387 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -6.367 -4.085 -6.877 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -4.946 -4.809 -7.604 1.00 0.00 H new ATOM 912 N CYS A 67 -2.749 -2.897 -7.253 1.00 0.00 N ATOM 913 CA CYS A 67 -2.007 -1.887 -7.992 1.00 0.00 C ATOM 914 C CYS A 67 -1.061 -2.523 -9.013 1.00 0.00 C ATOM 915 O CYS A 67 -0.102 -3.183 -8.613 1.00 0.00 O ATOM 916 CB CYS A 67 -1.236 -1.028 -6.992 1.00 0.00 C ATOM 917 SG CYS A 67 -0.701 0.536 -7.705 1.00 0.00 S ATOM 0 H CYS A 67 -2.294 -3.809 -7.211 1.00 0.00 H new ATOM 0 HA CYS A 67 -2.703 -1.265 -8.555 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -1.865 -0.833 -6.123 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -0.365 -1.580 -6.638 1.00 0.00 H new ATOM 922 N PRO A 68 -1.352 -2.428 -10.323 1.00 0.00 N ATOM 923 CA PRO A 68 -0.479 -2.947 -11.365 1.00 0.00 C ATOM 924 C PRO A 68 0.911 -2.331 -11.347 1.00 0.00 C ATOM 925 O PRO A 68 1.116 -1.243 -10.813 1.00 0.00 O ATOM 926 CB PRO A 68 -1.197 -2.710 -12.693 1.00 0.00 C ATOM 927 CG PRO A 68 -2.666 -2.639 -12.286 1.00 0.00 C ATOM 928 CD PRO A 68 -2.613 -1.991 -10.903 1.00 0.00 C ATOM 0 HA PRO A 68 -0.299 -4.009 -11.202 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -0.866 -1.788 -13.171 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -1.014 -3.519 -13.400 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -3.250 -2.044 -12.988 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -3.122 -3.628 -12.250 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -2.657 -0.904 -10.976 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -3.458 -2.304 -10.289 1.00 0.00 H new ATOM 936 N ALA A 69 1.862 -2.990 -12.002 1.00 0.00 N ATOM 937 CA ALA A 69 3.245 -2.562 -11.943 1.00 0.00 C ATOM 938 C ALA A 69 3.374 -1.291 -12.798 1.00 0.00 C ATOM 939 O ALA A 69 2.733 -1.190 -13.846 1.00 0.00 O ATOM 940 CB ALA A 69 4.160 -3.713 -12.386 1.00 0.00 C ATOM 0 H ALA A 69 1.696 -3.817 -12.575 1.00 0.00 H new ATOM 0 HA ALA A 69 3.559 -2.312 -10.930 1.00 0.00 H new ATOM 0 HB1 ALA A 69 5.200 -3.389 -12.341 1.00 0.00 H new ATOM 0 HB2 ALA A 69 4.017 -4.567 -11.724 1.00 0.00 H new ATOM 0 HB3 ALA A 69 3.914 -4.001 -13.408 1.00 0.00 H new ATOM 946 N ASN A 70 4.119 -0.294 -12.311 1.00 0.00 N ATOM 947 CA ASN A 70 4.153 1.089 -12.805 1.00 0.00 C ATOM 948 C ASN A 70 2.768 1.724 -12.737 1.00 0.00 C ATOM 949 O ASN A 70 2.307 2.357 -13.690 1.00 0.00 O ATOM 950 CB ASN A 70 4.764 1.227 -14.213 1.00 0.00 C ATOM 951 CG ASN A 70 6.285 1.220 -14.223 1.00 0.00 C ATOM 952 OD1 ASN A 70 6.936 1.700 -13.297 1.00 0.00 O ATOM 953 ND2 ASN A 70 6.895 0.644 -15.249 1.00 0.00 N ATOM 0 H ASN A 70 4.748 -0.436 -11.520 1.00 0.00 H new ATOM 0 HA ASN A 70 4.822 1.634 -12.139 1.00 0.00 H new ATOM 0 HB2 ASN A 70 4.402 0.411 -14.838 1.00 0.00 H new ATOM 0 HB3 ASN A 70 4.411 2.155 -14.663 1.00 0.00 H new ATOM 0 HD21 ASN A 70 7.914 0.596 -15.275 1.00 0.00 H new ATOM 0 HD22 ASN A 70 6.346 0.249 -16.012 1.00 0.00 H new ATOM 960 N THR A 71 2.105 1.597 -11.591 1.00 0.00 N ATOM 961 CA THR A 71 0.875 2.321 -11.336 1.00 0.00 C ATOM 962 C THR A 71 1.005 3.133 -10.054 1.00 0.00 C ATOM 963 O THR A 71 1.153 2.585 -8.962 1.00 0.00 O ATOM 964 CB THR A 71 -0.334 1.386 -11.355 1.00 0.00 C ATOM 965 OG1 THR A 71 -0.214 0.533 -12.475 1.00 0.00 O ATOM 966 CG2 THR A 71 -1.637 2.182 -11.477 1.00 0.00 C ATOM 0 H THR A 71 2.405 0.995 -10.824 1.00 0.00 H new ATOM 0 HA THR A 71 0.699 3.034 -12.142 1.00 0.00 H new ATOM 0 HB THR A 71 -0.361 0.816 -10.426 1.00 0.00 H new ATOM 0 HG1 THR A 71 -1.094 0.411 -12.889 1.00 0.00 H new ATOM 0 HG21 THR A 71 -2.483 1.495 -11.489 1.00 0.00 H new ATOM 0 HG22 THR A 71 -1.731 2.859 -10.628 1.00 0.00 H new ATOM 0 HG23 THR A 71 -1.626 2.759 -12.402 1.00 0.00 H new ATOM 974 N CYS A 72 0.920 4.450 -10.206 1.00 0.00 N ATOM 975 CA CYS A 72 0.577 5.338 -9.115 1.00 0.00 C ATOM 976 C CYS A 72 -0.924 5.170 -8.869 1.00 0.00 C ATOM 977 O CYS A 72 -1.736 5.480 -9.741 1.00 0.00 O ATOM 978 CB CYS A 72 0.911 6.775 -9.503 1.00 0.00 C ATOM 979 SG CYS A 72 -0.104 7.980 -8.644 1.00 0.00 S ATOM 0 H CYS A 72 1.088 4.927 -11.092 1.00 0.00 H new ATOM 0 HA CYS A 72 1.138 5.104 -8.210 1.00 0.00 H new ATOM 0 HB2 CYS A 72 1.961 6.970 -9.286 1.00 0.00 H new ATOM 0 HB3 CYS A 72 0.780 6.896 -10.578 1.00 0.00 H new ATOM 984 N CYS A 73 -1.290 4.639 -7.708 1.00 0.00 N ATOM 985 CA CYS A 73 -2.643 4.249 -7.325 1.00 0.00 C ATOM 986 C CYS A 73 -3.068 5.122 -6.153 1.00 0.00 C ATOM 987 O CYS A 73 -2.374 5.154 -5.138 1.00 0.00 O ATOM 988 CB CYS A 73 -2.674 2.782 -6.875 1.00 0.00 C ATOM 989 SG CYS A 73 -2.483 1.545 -8.175 1.00 0.00 S ATOM 0 H CYS A 73 -0.613 4.459 -6.967 1.00 0.00 H new ATOM 0 HA CYS A 73 -3.311 4.371 -8.177 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -1.882 2.632 -6.141 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -3.620 2.600 -6.365 1.00 0.00 H new ATOM 994 N ASN A 74 -4.188 5.838 -6.267 1.00 0.00 N ATOM 995 CA ASN A 74 -4.691 6.673 -5.177 1.00 0.00 C ATOM 996 C ASN A 74 -5.387 5.816 -4.132 1.00 0.00 C ATOM 997 O ASN A 74 -6.229 4.992 -4.486 1.00 0.00 O ATOM 998 CB ASN A 74 -5.710 7.689 -5.689 1.00 0.00 C ATOM 999 CG ASN A 74 -6.147 8.600 -4.546 1.00 0.00 C ATOM 1000 OD1 ASN A 74 -7.203 8.249 -3.831 1.00 0.00 O flip ATOM 1001 ND2 ASN A 74 -5.547 9.646 -4.317 1.00 0.00 N flip ATOM 0 H ASN A 74 -4.766 5.855 -7.108 1.00 0.00 H new ATOM 0 HA ASN A 74 -3.833 7.189 -4.745 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -5.274 8.282 -6.493 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -6.575 7.173 -6.106 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -4.734 9.901 -4.878 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -5.861 10.260 -3.565 1.00 0.00 H new ATOM 1008 N ILE A 75 -5.078 6.017 -2.858 1.00 0.00 N ATOM 1009 CA ILE A 75 -5.670 5.313 -1.740 1.00 0.00 C ATOM 1010 C ILE A 75 -6.758 6.218 -1.175 1.00 0.00 C ATOM 1011 O ILE A 75 -6.463 7.217 -0.526 1.00 0.00 O ATOM 1012 CB ILE A 75 -4.569 4.994 -0.712 1.00 0.00 C ATOM 1013 CG1 ILE A 75 -3.701 3.806 -1.128 1.00 0.00 C ATOM 1014 CG2 ILE A 75 -5.134 4.597 0.645 1.00 0.00 C ATOM 1015 CD1 ILE A 75 -3.216 3.897 -2.560 1.00 0.00 C ATOM 0 H ILE A 75 -4.380 6.703 -2.569 1.00 0.00 H new ATOM 0 HA ILE A 75 -6.117 4.362 -2.030 1.00 0.00 H new ATOM 0 HB ILE A 75 -3.993 5.918 -0.658 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -2.840 3.742 -0.463 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -4.271 2.885 -1.001 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -4.315 4.383 1.332 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -5.736 5.415 1.042 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -5.756 3.709 0.534 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.606 3.025 -2.794 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -4.073 3.931 -3.233 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -2.620 4.801 -2.686 1.00 0.00 H new ATOM 1027 N ASN A 76 -8.019 5.865 -1.396 1.00 0.00 N ATOM 1028 CA ASN A 76 -9.139 6.440 -0.670 1.00 0.00 C ATOM 1029 C ASN A 76 -9.887 5.281 -0.032 1.00 0.00 C ATOM 1030 O ASN A 76 -9.937 4.201 -0.616 1.00 0.00 O ATOM 1031 CB ASN A 76 -10.059 7.210 -1.614 1.00 0.00 C ATOM 1032 CG ASN A 76 -11.250 7.733 -0.825 1.00 0.00 C ATOM 1033 OD1 ASN A 76 -12.329 7.154 -0.858 1.00 0.00 O ATOM 1034 ND2 ASN A 76 -11.059 8.797 -0.060 1.00 0.00 N ATOM 0 H ASN A 76 -8.292 5.168 -2.088 1.00 0.00 H new ATOM 0 HA ASN A 76 -8.789 7.146 0.083 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -9.519 8.038 -2.074 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -10.398 6.562 -2.422 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -11.820 9.152 0.519 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -10.151 9.262 -0.050 1.00 0.00 H new ATOM 1041 N THR A 77 -10.435 5.473 1.163 1.00 0.00 N ATOM 1042 CA THR A 77 -11.247 4.476 1.840 1.00 0.00 C ATOM 1043 C THR A 77 -12.372 5.235 2.548 1.00 0.00 C ATOM 1044 O THR A 77 -12.602 6.408 2.244 1.00 0.00 O ATOM 1045 CB THR A 77 -10.371 3.673 2.817 1.00 0.00 C ATOM 1046 OG1 THR A 77 -9.949 4.521 3.861 1.00 0.00 O ATOM 1047 CG2 THR A 77 -9.143 3.038 2.159 1.00 0.00 C ATOM 0 H THR A 77 -10.325 6.337 1.693 1.00 0.00 H new ATOM 0 HA THR A 77 -11.678 3.753 1.148 1.00 0.00 H new ATOM 0 HB THR A 77 -10.985 2.854 3.192 1.00 0.00 H new ATOM 0 HG1 THR A 77 -9.868 4.004 4.690 1.00 0.00 H new ATOM 0 HG21 THR A 77 -8.573 2.488 2.908 1.00 0.00 H new ATOM 0 HG22 THR A 77 -9.464 2.354 1.373 1.00 0.00 H new ATOM 0 HG23 THR A 77 -8.517 3.819 1.727 1.00 0.00 H new ATOM 1055 N GLY A 78 -13.027 4.606 3.524 1.00 0.00 N ATOM 1056 CA GLY A 78 -13.942 5.285 4.425 1.00 0.00 C ATOM 1057 C GLY A 78 -13.281 5.559 5.776 1.00 0.00 C ATOM 1058 O GLY A 78 -13.991 5.811 6.747 1.00 0.00 O ATOM 0 H GLY A 78 -12.933 3.607 3.708 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -14.267 6.225 3.978 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -14.834 4.676 4.570 1.00 0.00 H new ATOM 1062 N PHE A 79 -11.955 5.467 5.879 1.00 0.00 N ATOM 1063 CA PHE A 79 -11.234 5.577 7.133 1.00 0.00 C ATOM 1064 C PHE A 79 -9.902 6.252 6.890 1.00 0.00 C ATOM 1065 O PHE A 79 -9.522 6.512 5.746 1.00 0.00 O ATOM 1066 CB PHE A 79 -11.091 4.183 7.767 1.00 0.00 C ATOM 1067 CG PHE A 79 -10.934 3.019 6.801 1.00 0.00 C ATOM 1068 CD1 PHE A 79 -9.652 2.595 6.404 1.00 0.00 C ATOM 1069 CD2 PHE A 79 -12.069 2.300 6.375 1.00 0.00 C ATOM 1070 CE1 PHE A 79 -9.503 1.421 5.649 1.00 0.00 C ATOM 1071 CE2 PHE A 79 -11.920 1.144 5.591 1.00 0.00 C ATOM 1072 CZ PHE A 79 -10.635 0.691 5.256 1.00 0.00 C ATOM 0 H PHE A 79 -11.347 5.311 5.075 1.00 0.00 H new ATOM 0 HA PHE A 79 -11.784 6.196 7.841 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -10.227 4.196 8.431 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -11.968 3.997 8.388 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -8.783 3.173 6.680 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -13.056 2.639 6.652 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -8.517 1.080 5.371 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -12.791 0.606 5.247 1.00 0.00 H new ATOM 0 HZ PHE A 79 -10.517 -0.223 4.693 1.00 0.00 H new ATOM 1082 N TYR A 80 -9.210 6.613 7.969 1.00 0.00 N ATOM 1083 CA TYR A 80 -7.849 7.061 7.816 1.00 0.00 C ATOM 1084 C TYR A 80 -7.040 5.832 7.439 1.00 0.00 C ATOM 1085 O TYR A 80 -7.219 4.781 8.043 1.00 0.00 O ATOM 1086 CB TYR A 80 -7.331 7.696 9.107 1.00 0.00 C ATOM 1087 CG TYR A 80 -5.863 8.099 9.118 1.00 0.00 C ATOM 1088 CD1 TYR A 80 -5.274 8.738 8.008 1.00 0.00 C ATOM 1089 CD2 TYR A 80 -5.095 7.890 10.280 1.00 0.00 C ATOM 1090 CE1 TYR A 80 -3.929 9.146 8.056 1.00 0.00 C ATOM 1091 CE2 TYR A 80 -3.754 8.311 10.331 1.00 0.00 C ATOM 1092 CZ TYR A 80 -3.162 8.912 9.208 1.00 0.00 C ATOM 1093 OH TYR A 80 -1.869 9.339 9.270 1.00 0.00 O ATOM 0 H TYR A 80 -9.565 6.602 8.925 1.00 0.00 H new ATOM 0 HA TYR A 80 -7.769 7.831 7.049 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -7.931 8.582 9.317 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -7.500 6.995 9.925 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -5.858 8.915 7.117 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -5.538 7.404 11.136 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -3.485 9.640 7.205 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -3.179 8.172 11.235 1.00 0.00 H new ATOM 0 HH TYR A 80 -1.485 9.096 10.138 1.00 0.00 H new ATOM 1103 N ILE A 81 -6.182 5.949 6.438 1.00 0.00 N ATOM 1104 CA ILE A 81 -5.347 4.855 5.996 1.00 0.00 C ATOM 1105 C ILE A 81 -4.033 4.974 6.750 1.00 0.00 C ATOM 1106 O ILE A 81 -3.464 6.062 6.831 1.00 0.00 O ATOM 1107 CB ILE A 81 -5.183 4.838 4.478 1.00 0.00 C ATOM 1108 CG1 ILE A 81 -5.232 6.259 3.888 1.00 0.00 C ATOM 1109 CG2 ILE A 81 -6.261 3.903 3.906 1.00 0.00 C ATOM 1110 CD1 ILE A 81 -6.656 6.729 3.562 1.00 0.00 C ATOM 0 H ILE A 81 -6.048 6.811 5.910 1.00 0.00 H new ATOM 0 HA ILE A 81 -5.808 3.893 6.220 1.00 0.00 H new ATOM 0 HB ILE A 81 -4.201 4.457 4.199 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -4.779 6.955 4.595 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -4.629 6.290 2.980 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -6.173 3.867 2.820 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -6.127 2.901 4.314 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -7.248 4.277 4.178 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -6.621 7.737 3.150 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -7.104 6.054 2.832 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -7.256 6.730 4.472 1.00 0.00 H new ATOM 1122 N ARG A 82 -3.610 3.879 7.371 1.00 0.00 N ATOM 1123 CA ARG A 82 -2.663 3.944 8.466 1.00 0.00 C ATOM 1124 C ARG A 82 -1.570 2.901 8.383 1.00 0.00 C ATOM 1125 O ARG A 82 -0.425 3.250 8.628 1.00 0.00 O ATOM 1126 CB ARG A 82 -3.455 3.804 9.770 1.00 0.00 C ATOM 1127 CG ARG A 82 -2.920 4.640 10.930 1.00 0.00 C ATOM 1128 CD ARG A 82 -1.413 4.487 11.127 1.00 0.00 C ATOM 1129 NE ARG A 82 -1.002 5.004 12.435 1.00 0.00 N ATOM 1130 CZ ARG A 82 0.224 5.430 12.759 1.00 0.00 C ATOM 1131 NH1 ARG A 82 1.158 5.557 11.817 1.00 0.00 N ATOM 1132 NH2 ARG A 82 0.491 5.690 14.040 1.00 0.00 N ATOM 0 H ARG A 82 -3.912 2.935 7.130 1.00 0.00 H new ATOM 0 HA ARG A 82 -2.144 4.901 8.419 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -4.491 4.087 9.583 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -3.459 2.755 10.067 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -3.153 5.690 10.753 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -3.433 4.350 11.847 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -1.136 3.436 11.043 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -0.883 5.020 10.338 1.00 0.00 H new ATOM 0 HE ARG A 82 -1.715 5.043 13.164 1.00 0.00 H new ATOM 0 HH11 ARG A 82 0.939 5.329 10.847 1.00 0.00 H new ATOM 0 HH12 ARG A 82 2.092 5.882 12.066 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -0.232 5.563 14.748 1.00 0.00 H new ATOM 0 HH22 ARG A 82 1.419 6.016 14.312 1.00 0.00 H new ATOM 1146 N SER A 83 -1.883 1.639 8.124 1.00 0.00 N ATOM 1147 CA SER A 83 -0.853 0.606 8.069 1.00 0.00 C ATOM 1148 C SER A 83 -1.034 -0.259 6.830 1.00 0.00 C ATOM 1149 O SER A 83 -2.008 -0.049 6.114 1.00 0.00 O ATOM 1150 CB SER A 83 -0.832 -0.194 9.362 1.00 0.00 C ATOM 1151 OG SER A 83 -1.073 0.615 10.509 1.00 0.00 O ATOM 0 H SER A 83 -2.831 1.306 7.950 1.00 0.00 H new ATOM 0 HA SER A 83 0.127 1.074 7.980 1.00 0.00 H new ATOM 0 HB2 SER A 83 -1.585 -0.980 9.311 1.00 0.00 H new ATOM 0 HB3 SER A 83 0.135 -0.686 9.465 1.00 0.00 H new ATOM 0 HG SER A 83 -1.912 0.338 10.934 1.00 0.00 H new ATOM 1157 N TYR A 84 -0.142 -1.213 6.551 1.00 0.00 N ATOM 1158 CA TYR A 84 -0.253 -2.017 5.340 1.00 0.00 C ATOM 1159 C TYR A 84 0.531 -3.319 5.407 1.00 0.00 C ATOM 1160 O TYR A 84 1.424 -3.467 6.241 1.00 0.00 O ATOM 1161 CB TYR A 84 0.168 -1.216 4.098 1.00 0.00 C ATOM 1162 CG TYR A 84 1.667 -1.119 3.847 1.00 0.00 C ATOM 1163 CD1 TYR A 84 2.556 -0.737 4.872 1.00 0.00 C ATOM 1164 CD2 TYR A 84 2.179 -1.438 2.574 1.00 0.00 C ATOM 1165 CE1 TYR A 84 3.940 -0.701 4.632 1.00 0.00 C ATOM 1166 CE2 TYR A 84 3.553 -1.315 2.314 1.00 0.00 C ATOM 1167 CZ TYR A 84 4.434 -0.958 3.346 1.00 0.00 C ATOM 1168 OH TYR A 84 5.761 -0.830 3.080 1.00 0.00 O ATOM 0 H TYR A 84 0.656 -1.443 7.143 1.00 0.00 H new ATOM 0 HA TYR A 84 -1.307 -2.281 5.259 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -0.299 -1.667 3.223 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -0.232 -0.206 4.188 1.00 0.00 H new ATOM 0 HD1 TYR A 84 2.172 -0.471 5.846 1.00 0.00 H new ATOM 0 HD2 TYR A 84 1.512 -1.778 1.796 1.00 0.00 H new ATOM 0 HE1 TYR A 84 4.623 -0.475 5.438 1.00 0.00 H new ATOM 0 HE2 TYR A 84 3.932 -1.495 1.319 1.00 0.00 H new ATOM 0 HH TYR A 84 6.266 -1.472 3.621 1.00 0.00 H new ATOM 1178 N ARG A 85 0.209 -4.236 4.493 1.00 0.00 N ATOM 1179 CA ARG A 85 0.963 -5.448 4.235 1.00 0.00 C ATOM 1180 C ARG A 85 0.733 -5.834 2.767 1.00 0.00 C ATOM 1181 O ARG A 85 -0.421 -5.915 2.342 1.00 0.00 O ATOM 1182 CB ARG A 85 0.482 -6.519 5.227 1.00 0.00 C ATOM 1183 CG ARG A 85 1.376 -7.748 5.307 1.00 0.00 C ATOM 1184 CD ARG A 85 1.124 -8.707 4.141 1.00 0.00 C ATOM 1185 NE ARG A 85 0.862 -10.092 4.590 1.00 0.00 N ATOM 1186 CZ ARG A 85 1.015 -11.211 3.858 1.00 0.00 C ATOM 1187 NH1 ARG A 85 1.514 -11.143 2.629 1.00 0.00 N ATOM 1188 NH2 ARG A 85 0.663 -12.402 4.327 1.00 0.00 N ATOM 0 H ARG A 85 -0.613 -4.145 3.896 1.00 0.00 H new ATOM 0 HA ARG A 85 2.036 -5.325 4.380 1.00 0.00 H new ATOM 0 HB2 ARG A 85 0.410 -6.072 6.219 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -0.523 -6.833 4.945 1.00 0.00 H new ATOM 0 HG2 ARG A 85 2.421 -7.439 5.305 1.00 0.00 H new ATOM 0 HG3 ARG A 85 1.199 -8.266 6.249 1.00 0.00 H new ATOM 0 HD2 ARG A 85 0.274 -8.351 3.559 1.00 0.00 H new ATOM 0 HD3 ARG A 85 1.989 -8.702 3.477 1.00 0.00 H new ATOM 0 HE ARG A 85 0.533 -10.211 5.548 1.00 0.00 H new ATOM 0 HH11 ARG A 85 1.783 -10.241 2.237 1.00 0.00 H new ATOM 0 HH12 ARG A 85 1.628 -11.993 2.077 1.00 0.00 H new ATOM 0 HH21 ARG A 85 0.266 -12.485 5.263 1.00 0.00 H new ATOM 0 HH22 ARG A 85 0.790 -13.235 3.751 1.00 0.00 H new ATOM 1202 N ARG A 86 1.796 -6.060 1.982 1.00 0.00 N ATOM 1203 CA ARG A 86 1.669 -6.540 0.607 1.00 0.00 C ATOM 1204 C ARG A 86 1.097 -7.949 0.665 1.00 0.00 C ATOM 1205 O ARG A 86 1.729 -8.839 1.225 1.00 0.00 O ATOM 1206 CB ARG A 86 3.006 -6.560 -0.156 1.00 0.00 C ATOM 1207 CG ARG A 86 2.704 -6.889 -1.632 1.00 0.00 C ATOM 1208 CD ARG A 86 3.880 -7.418 -2.464 1.00 0.00 C ATOM 1209 NE ARG A 86 3.332 -7.925 -3.733 1.00 0.00 N ATOM 1210 CZ ARG A 86 3.965 -8.437 -4.796 1.00 0.00 C ATOM 1211 NH1 ARG A 86 5.290 -8.551 -4.832 1.00 0.00 N ATOM 1212 NH2 ARG A 86 3.237 -8.850 -5.830 1.00 0.00 N ATOM 0 H ARG A 86 2.760 -5.915 2.284 1.00 0.00 H new ATOM 0 HA ARG A 86 1.018 -5.854 0.064 1.00 0.00 H new ATOM 0 HB2 ARG A 86 3.506 -5.595 -0.075 1.00 0.00 H new ATOM 0 HB3 ARG A 86 3.678 -7.304 0.271 1.00 0.00 H new ATOM 0 HG2 ARG A 86 1.904 -7.629 -1.661 1.00 0.00 H new ATOM 0 HG3 ARG A 86 2.323 -5.988 -2.112 1.00 0.00 H new ATOM 0 HD2 ARG A 86 4.606 -6.626 -2.649 1.00 0.00 H new ATOM 0 HD3 ARG A 86 4.403 -8.210 -1.928 1.00 0.00 H new ATOM 0 HE ARG A 86 2.316 -7.879 -3.815 1.00 0.00 H new ATOM 0 HH11 ARG A 86 5.850 -8.245 -4.037 1.00 0.00 H new ATOM 0 HH12 ARG A 86 5.746 -8.945 -5.655 1.00 0.00 H new ATOM 0 HH21 ARG A 86 2.220 -8.773 -5.801 1.00 0.00 H new ATOM 0 HH22 ARG A 86 3.695 -9.244 -6.652 1.00 0.00 H new ATOM 1226 N VAL A 87 -0.095 -8.162 0.134 1.00 0.00 N ATOM 1227 CA VAL A 87 -0.860 -9.355 0.310 1.00 0.00 C ATOM 1228 C VAL A 87 -0.586 -10.327 -0.837 1.00 0.00 C ATOM 1229 O VAL A 87 -0.454 -11.524 -0.586 1.00 0.00 O ATOM 1230 CB VAL A 87 -2.312 -8.905 0.483 1.00 0.00 C ATOM 1231 CG1 VAL A 87 -3.329 -9.342 -0.568 1.00 0.00 C ATOM 1232 CG2 VAL A 87 -2.694 -9.152 1.920 1.00 0.00 C ATOM 0 H VAL A 87 -0.563 -7.472 -0.453 1.00 0.00 H new ATOM 0 HA VAL A 87 -0.588 -9.929 1.195 1.00 0.00 H new ATOM 0 HB VAL A 87 -2.354 -7.838 0.265 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -4.312 -8.947 -0.310 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -3.030 -8.961 -1.544 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -3.373 -10.431 -0.601 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -3.727 -8.842 2.080 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -2.595 -10.214 2.145 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -2.037 -8.579 2.575 1.00 0.00 H new ATOM 1242 N GLU A 88 -0.455 -9.825 -2.066 1.00 0.00 N ATOM 1243 CA GLU A 88 -0.130 -10.637 -3.223 1.00 0.00 C ATOM 1244 C GLU A 88 0.512 -9.760 -4.291 1.00 0.00 C ATOM 1245 CB GLU A 88 -1.385 -11.355 -3.729 1.00 0.00 C ATOM 1246 CG GLU A 88 -2.503 -10.442 -4.254 1.00 0.00 C ATOM 1247 CD GLU A 88 -3.740 -11.237 -4.613 1.00 0.00 C ATOM 1248 OE1 GLU A 88 -3.706 -12.477 -4.497 1.00 0.00 O ATOM 1249 OE2 GLU A 88 -4.749 -10.633 -5.033 1.00 0.00 O ATOM 0 H GLU A 88 -0.574 -8.835 -2.280 1.00 0.00 H new ATOM 0 HA GLU A 88 0.590 -11.409 -2.953 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -1.094 -12.039 -4.526 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -1.787 -11.962 -2.918 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -2.753 -9.698 -3.498 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -2.150 -9.899 -5.131 1.00 0.00 H new