USER MOD reduce.3.24.130724 H: found=0, std=0, add=826, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 824 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 24 HIS : no HD1:sc= 0.0428 K(o=0.8,f=-0.15) USER MOD Set 1.2: A 25 LYS NZ :NH3+ -168:sc= 0.753 (180deg=0.523) USER MOD Single : A 3 SER OG : rot 29:sc= 0.592 USER MOD Single : A 9 SER OG : rot 180:sc= -0.0574 USER MOD Single : A 10 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0407) USER MOD Single : A 16 GLN : amide:sc= -0.696 X(o=-0.7,f=-0.93) USER MOD Single : A 19 LYS NZ :NH3+ 178:sc= 0.399 (180deg=0.392) USER MOD Single : A 21 LYS NZ :NH3+ 169:sc= 0.218 (180deg=0.216) USER MOD Single : A 32 THR OG1 : rot 154:sc= 0.617 USER MOD Single : A 34 THR OG1 : rot -164:sc= 1.02 USER MOD Single : A 40 LYS NZ :NH3+ 157:sc= 1.06 (180deg=0.575) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 64:sc= 1.13 USER MOD Single : A 50 SER OG : rot -170:sc= -0.238 USER MOD Single : A 51 ASN : amide:sc= -0.0791 X(o=-0.079,f=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ -159:sc= -0.0475 (180deg=-0.742) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.4 USER MOD Single : A 79 MET CE :methyl -175:sc= 0 (180deg=-0.0651) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HD1:sc= -0.383 X(o=-0.38,f=-0.55) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 148:sc= 1.51 (180deg=-0.695) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 119:sc= 1.05 USER MOD Single : A 99 GLN : amide:sc= 1.01 K(o=1,f=-0.85) USER MOD Single : A 101 LYS NZ :NH3+ -173:sc= -0.0297 (180deg=-0.114) USER MOD Single : A 103 LYS NZ :NH3+ 169:sc= -0.0096 (180deg=-0.138) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 HIS : no HD1:sc= 0.271 K(o=0.27,f=-5.6!) USER MOD ----------------------------------------------------------------- ATOM 17 N SER A 3 -0.642 -8.376 5.739 1.00 0.00 N ATOM 18 CA SER A 3 0.191 -7.671 4.775 1.00 0.00 C ATOM 19 C SER A 3 -0.354 -6.289 4.376 1.00 0.00 C ATOM 20 O SER A 3 -0.440 -5.980 3.187 1.00 0.00 O ATOM 21 CB SER A 3 0.310 -8.585 3.552 1.00 0.00 C ATOM 22 OG SER A 3 0.506 -9.923 3.975 1.00 0.00 O ATOM 0 HA SER A 3 1.161 -7.462 5.227 1.00 0.00 H new ATOM 0 HB2 SER A 3 -0.591 -8.514 2.943 1.00 0.00 H new ATOM 0 HB3 SER A 3 1.143 -8.265 2.926 1.00 0.00 H new ATOM 0 HG SER A 3 0.080 -10.056 4.847 1.00 0.00 H new ATOM 28 N VAL A 4 -0.734 -5.456 5.347 1.00 0.00 N ATOM 29 CA VAL A 4 -1.203 -4.104 5.135 1.00 0.00 C ATOM 30 C VAL A 4 -0.639 -3.247 6.272 1.00 0.00 C ATOM 31 O VAL A 4 -1.254 -3.157 7.332 1.00 0.00 O ATOM 32 CB VAL A 4 -2.744 -4.062 5.110 1.00 0.00 C ATOM 33 CG1 VAL A 4 -3.161 -2.619 4.801 1.00 0.00 C ATOM 34 CG2 VAL A 4 -3.429 -5.080 4.171 1.00 0.00 C ATOM 0 H VAL A 4 -0.720 -5.722 6.332 1.00 0.00 H new ATOM 0 HA VAL A 4 -0.864 -3.721 4.173 1.00 0.00 H new ATOM 0 HB VAL A 4 -3.096 -4.378 6.092 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -4.249 -2.552 4.775 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -2.775 -1.955 5.574 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -2.756 -2.323 3.833 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -4.511 -4.962 4.233 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -3.103 -4.906 3.146 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -3.157 -6.092 4.471 1.00 0.00 H new ATOM 44 N ILE A 5 0.533 -2.635 6.071 1.00 0.00 N ATOM 45 CA ILE A 5 1.192 -1.823 7.088 1.00 0.00 C ATOM 46 C ILE A 5 1.905 -0.641 6.428 1.00 0.00 C ATOM 47 O ILE A 5 2.383 -0.734 5.297 1.00 0.00 O ATOM 48 CB ILE A 5 2.173 -2.677 7.920 1.00 0.00 C ATOM 49 CG1 ILE A 5 3.108 -3.499 7.014 1.00 0.00 C ATOM 50 CG2 ILE A 5 1.402 -3.610 8.865 1.00 0.00 C ATOM 51 CD1 ILE A 5 4.190 -4.249 7.796 1.00 0.00 C ATOM 0 H ILE A 5 1.050 -2.692 5.193 1.00 0.00 H new ATOM 0 HA ILE A 5 0.439 -1.432 7.772 1.00 0.00 H new ATOM 0 HB ILE A 5 2.786 -1.997 8.512 1.00 0.00 H new ATOM 0 HG12 ILE A 5 2.516 -4.216 6.445 1.00 0.00 H new ATOM 0 HG13 ILE A 5 3.583 -2.834 6.293 1.00 0.00 H new ATOM 0 HG21 ILE A 5 2.108 -4.205 9.444 1.00 0.00 H new ATOM 0 HG22 ILE A 5 0.787 -3.016 9.541 1.00 0.00 H new ATOM 0 HG23 ILE A 5 0.763 -4.272 8.281 1.00 0.00 H new ATOM 0 HD11 ILE A 5 4.817 -4.810 7.103 1.00 0.00 H new ATOM 0 HD12 ILE A 5 4.804 -3.534 8.344 1.00 0.00 H new ATOM 0 HD13 ILE A 5 3.720 -4.937 8.498 1.00 0.00 H new ATOM 63 N VAL A 6 1.999 0.471 7.158 1.00 0.00 N ATOM 64 CA VAL A 6 2.602 1.723 6.712 1.00 0.00 C ATOM 65 C VAL A 6 4.131 1.609 6.832 1.00 0.00 C ATOM 66 O VAL A 6 4.774 2.413 7.504 1.00 0.00 O ATOM 67 CB VAL A 6 2.025 2.882 7.560 1.00 0.00 C ATOM 68 CG1 VAL A 6 2.365 4.267 6.991 1.00 0.00 C ATOM 69 CG2 VAL A 6 0.494 2.803 7.652 1.00 0.00 C ATOM 0 H VAL A 6 1.643 0.524 8.112 1.00 0.00 H new ATOM 0 HA VAL A 6 2.368 1.928 5.667 1.00 0.00 H new ATOM 0 HB VAL A 6 2.485 2.766 8.541 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.933 5.038 7.629 1.00 0.00 H new ATOM 0 HG12 VAL A 6 3.447 4.390 6.955 1.00 0.00 H new ATOM 0 HG13 VAL A 6 1.956 4.357 5.985 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.122 3.632 8.255 1.00 0.00 H new ATOM 0 HG22 VAL A 6 0.066 2.861 6.651 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.206 1.860 8.116 1.00 0.00 H new ATOM 79 N ILE A 7 4.724 0.591 6.200 1.00 0.00 N ATOM 80 CA ILE A 7 6.159 0.344 6.301 1.00 0.00 C ATOM 81 C ILE A 7 6.891 0.987 5.117 1.00 0.00 C ATOM 82 O ILE A 7 7.239 0.355 4.122 1.00 0.00 O ATOM 83 CB ILE A 7 6.419 -1.156 6.527 1.00 0.00 C ATOM 84 CG1 ILE A 7 7.885 -1.317 6.972 1.00 0.00 C ATOM 85 CG2 ILE A 7 6.069 -2.032 5.311 1.00 0.00 C ATOM 86 CD1 ILE A 7 8.148 -2.695 7.589 1.00 0.00 C ATOM 0 H ILE A 7 4.226 -0.076 5.611 1.00 0.00 H new ATOM 0 HA ILE A 7 6.584 0.832 7.178 1.00 0.00 H new ATOM 0 HB ILE A 7 5.750 -1.518 7.308 1.00 0.00 H new ATOM 0 HG12 ILE A 7 8.542 -1.172 6.115 1.00 0.00 H new ATOM 0 HG13 ILE A 7 8.131 -0.542 7.697 1.00 0.00 H new ATOM 0 HG21 ILE A 7 6.278 -3.076 5.543 1.00 0.00 H new ATOM 0 HG22 ILE A 7 5.012 -1.918 5.072 1.00 0.00 H new ATOM 0 HG23 ILE A 7 6.669 -1.723 4.455 1.00 0.00 H new ATOM 0 HD11 ILE A 7 9.194 -2.766 7.889 1.00 0.00 H new ATOM 0 HD12 ILE A 7 7.510 -2.830 8.462 1.00 0.00 H new ATOM 0 HD13 ILE A 7 7.928 -3.470 6.855 1.00 0.00 H new ATOM 98 N ASP A 8 7.155 2.283 5.262 1.00 0.00 N ATOM 99 CA ASP A 8 7.841 3.121 4.293 1.00 0.00 C ATOM 100 C ASP A 8 9.331 2.819 4.345 1.00 0.00 C ATOM 101 O ASP A 8 10.137 3.612 4.830 1.00 0.00 O ATOM 102 CB ASP A 8 7.558 4.600 4.592 1.00 0.00 C ATOM 103 CG ASP A 8 6.164 4.986 4.127 1.00 0.00 C ATOM 104 OD1 ASP A 8 5.971 4.951 2.894 1.00 0.00 O ATOM 105 OD2 ASP A 8 5.320 5.302 4.992 1.00 0.00 O ATOM 0 H ASP A 8 6.882 2.798 6.099 1.00 0.00 H new ATOM 0 HA ASP A 8 7.478 2.910 3.287 1.00 0.00 H new ATOM 0 HB2 ASP A 8 7.654 4.784 5.662 1.00 0.00 H new ATOM 0 HB3 ASP A 8 8.299 5.225 4.093 1.00 0.00 H new ATOM 110 N SER A 9 9.700 1.632 3.876 1.00 0.00 N ATOM 111 CA SER A 9 11.084 1.193 3.826 1.00 0.00 C ATOM 112 C SER A 9 11.313 0.299 2.608 1.00 0.00 C ATOM 113 O SER A 9 10.655 -0.729 2.470 1.00 0.00 O ATOM 114 CB SER A 9 11.432 0.477 5.134 1.00 0.00 C ATOM 115 OG SER A 9 11.157 1.326 6.234 1.00 0.00 O ATOM 0 H SER A 9 9.038 0.943 3.517 1.00 0.00 H new ATOM 0 HA SER A 9 11.744 2.054 3.721 1.00 0.00 H new ATOM 0 HB2 SER A 9 10.855 -0.443 5.220 1.00 0.00 H new ATOM 0 HB3 SER A 9 12.485 0.194 5.135 1.00 0.00 H new ATOM 0 HG SER A 9 11.380 0.863 7.068 1.00 0.00 H new ATOM 121 N LYS A 10 12.263 0.667 1.738 1.00 0.00 N ATOM 122 CA LYS A 10 12.604 -0.093 0.535 1.00 0.00 C ATOM 123 C LYS A 10 12.815 -1.572 0.873 1.00 0.00 C ATOM 124 O LYS A 10 12.322 -2.461 0.182 1.00 0.00 O ATOM 125 CB LYS A 10 13.875 0.499 -0.090 1.00 0.00 C ATOM 126 CG LYS A 10 14.153 -0.111 -1.471 1.00 0.00 C ATOM 127 CD LYS A 10 15.372 0.566 -2.109 1.00 0.00 C ATOM 128 CE LYS A 10 15.613 0.071 -3.542 1.00 0.00 C ATOM 129 NZ LYS A 10 15.913 -1.371 -3.586 1.00 0.00 N ATOM 0 H LYS A 10 12.822 1.512 1.854 1.00 0.00 H new ATOM 0 HA LYS A 10 11.782 -0.025 -0.178 1.00 0.00 H new ATOM 0 HB2 LYS A 10 13.768 1.580 -0.182 1.00 0.00 H new ATOM 0 HB3 LYS A 10 14.725 0.318 0.568 1.00 0.00 H new ATOM 0 HG2 LYS A 10 14.331 -1.182 -1.375 1.00 0.00 H new ATOM 0 HG3 LYS A 10 13.281 0.011 -2.114 1.00 0.00 H new ATOM 0 HD2 LYS A 10 15.225 1.646 -2.117 1.00 0.00 H new ATOM 0 HD3 LYS A 10 16.256 0.369 -1.503 1.00 0.00 H new ATOM 0 HE2 LYS A 10 14.731 0.276 -4.149 1.00 0.00 H new ATOM 0 HE3 LYS A 10 16.440 0.627 -3.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 16.152 -1.646 -4.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 16.718 -1.577 -2.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 15.081 -1.908 -3.269 1.00 0.00 H new ATOM 143 N ALA A 11 13.552 -1.822 1.955 1.00 0.00 N ATOM 144 CA ALA A 11 13.832 -3.170 2.425 1.00 0.00 C ATOM 145 C ALA A 11 12.526 -3.931 2.664 1.00 0.00 C ATOM 146 O ALA A 11 12.398 -5.090 2.277 1.00 0.00 O ATOM 147 CB ALA A 11 14.660 -3.098 3.711 1.00 0.00 C ATOM 0 H ALA A 11 13.971 -1.090 2.529 1.00 0.00 H new ATOM 0 HA ALA A 11 14.401 -3.707 1.666 1.00 0.00 H new ATOM 0 HB1 ALA A 11 14.871 -4.107 4.065 1.00 0.00 H new ATOM 0 HB2 ALA A 11 15.598 -2.580 3.511 1.00 0.00 H new ATOM 0 HB3 ALA A 11 14.101 -2.555 4.474 1.00 0.00 H new ATOM 153 N ALA A 12 11.550 -3.267 3.290 1.00 0.00 N ATOM 154 CA ALA A 12 10.256 -3.857 3.580 1.00 0.00 C ATOM 155 C ALA A 12 9.495 -4.095 2.284 1.00 0.00 C ATOM 156 O ALA A 12 8.914 -5.161 2.117 1.00 0.00 O ATOM 157 CB ALA A 12 9.462 -2.946 4.511 1.00 0.00 C ATOM 0 H ALA A 12 11.643 -2.302 3.608 1.00 0.00 H new ATOM 0 HA ALA A 12 10.402 -4.815 4.079 1.00 0.00 H new ATOM 0 HB1 ALA A 12 8.493 -3.398 4.722 1.00 0.00 H new ATOM 0 HB2 ALA A 12 10.011 -2.811 5.443 1.00 0.00 H new ATOM 0 HB3 ALA A 12 9.314 -1.977 4.033 1.00 0.00 H new ATOM 163 N TRP A 13 9.490 -3.107 1.381 1.00 0.00 N ATOM 164 CA TRP A 13 8.867 -3.233 0.065 1.00 0.00 C ATOM 165 C TRP A 13 9.362 -4.529 -0.578 1.00 0.00 C ATOM 166 O TRP A 13 8.560 -5.390 -0.928 1.00 0.00 O ATOM 167 CB TRP A 13 9.175 -1.978 -0.788 1.00 0.00 C ATOM 168 CG TRP A 13 9.519 -2.148 -2.248 1.00 0.00 C ATOM 169 CD1 TRP A 13 10.755 -2.409 -2.733 1.00 0.00 C ATOM 170 CD2 TRP A 13 8.677 -1.970 -3.430 1.00 0.00 C ATOM 171 NE1 TRP A 13 10.739 -2.450 -4.108 1.00 0.00 N ATOM 172 CE2 TRP A 13 9.485 -2.161 -4.593 1.00 0.00 C ATOM 173 CE3 TRP A 13 7.324 -1.634 -3.649 1.00 0.00 C ATOM 174 CZ2 TRP A 13 8.982 -2.029 -5.893 1.00 0.00 C ATOM 175 CZ3 TRP A 13 6.823 -1.450 -4.953 1.00 0.00 C ATOM 176 CH2 TRP A 13 7.643 -1.658 -6.073 1.00 0.00 C ATOM 0 H TRP A 13 9.920 -2.197 1.546 1.00 0.00 H new ATOM 0 HA TRP A 13 7.781 -3.289 0.146 1.00 0.00 H new ATOM 0 HB2 TRP A 13 8.308 -1.320 -0.729 1.00 0.00 H new ATOM 0 HB3 TRP A 13 10.005 -1.454 -0.314 1.00 0.00 H new ATOM 0 HD1 TRP A 13 11.634 -2.564 -2.124 1.00 0.00 H new ATOM 0 HE1 TRP A 13 11.549 -2.666 -4.690 1.00 0.00 H new ATOM 0 HE3 TRP A 13 6.662 -1.516 -2.804 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 9.618 -2.211 -6.746 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 5.796 -1.145 -5.092 1.00 0.00 H new ATOM 0 HH2 TRP A 13 7.244 -1.533 -7.069 1.00 0.00 H new ATOM 187 N ASP A 14 10.685 -4.684 -0.672 1.00 0.00 N ATOM 188 CA ASP A 14 11.320 -5.835 -1.296 1.00 0.00 C ATOM 189 C ASP A 14 10.966 -7.133 -0.581 1.00 0.00 C ATOM 190 O ASP A 14 10.446 -8.072 -1.182 1.00 0.00 O ATOM 191 CB ASP A 14 12.835 -5.628 -1.282 1.00 0.00 C ATOM 192 CG ASP A 14 13.549 -6.755 -2.016 1.00 0.00 C ATOM 193 OD1 ASP A 14 13.669 -6.634 -3.254 1.00 0.00 O ATOM 194 OD2 ASP A 14 13.957 -7.713 -1.325 1.00 0.00 O ATOM 0 H ASP A 14 11.350 -4.001 -0.310 1.00 0.00 H new ATOM 0 HA ASP A 14 10.956 -5.919 -2.320 1.00 0.00 H new ATOM 0 HB2 ASP A 14 13.079 -4.674 -1.749 1.00 0.00 H new ATOM 0 HB3 ASP A 14 13.189 -5.579 -0.252 1.00 0.00 H new ATOM 199 N ALA A 15 11.266 -7.178 0.714 1.00 0.00 N ATOM 200 CA ALA A 15 11.049 -8.355 1.541 1.00 0.00 C ATOM 201 C ALA A 15 9.597 -8.827 1.464 1.00 0.00 C ATOM 202 O ALA A 15 9.331 -10.009 1.238 1.00 0.00 O ATOM 203 CB ALA A 15 11.450 -8.039 2.984 1.00 0.00 C ATOM 0 H ALA A 15 11.670 -6.390 1.221 1.00 0.00 H new ATOM 0 HA ALA A 15 11.670 -9.169 1.168 1.00 0.00 H new ATOM 0 HB1 ALA A 15 11.289 -8.919 3.607 1.00 0.00 H new ATOM 0 HB2 ALA A 15 12.503 -7.759 3.016 1.00 0.00 H new ATOM 0 HB3 ALA A 15 10.844 -7.214 3.358 1.00 0.00 H new ATOM 209 N GLN A 16 8.661 -7.902 1.678 1.00 0.00 N ATOM 210 CA GLN A 16 7.234 -8.181 1.669 1.00 0.00 C ATOM 211 C GLN A 16 6.815 -8.639 0.268 1.00 0.00 C ATOM 212 O GLN A 16 6.158 -9.671 0.135 1.00 0.00 O ATOM 213 CB GLN A 16 6.463 -6.952 2.168 1.00 0.00 C ATOM 214 CG GLN A 16 5.000 -7.306 2.481 1.00 0.00 C ATOM 215 CD GLN A 16 4.221 -6.204 3.206 1.00 0.00 C ATOM 216 OE1 GLN A 16 3.066 -6.404 3.568 1.00 0.00 O ATOM 217 NE2 GLN A 16 4.823 -5.041 3.438 1.00 0.00 N ATOM 0 H GLN A 16 8.882 -6.924 1.865 1.00 0.00 H new ATOM 0 HA GLN A 16 6.993 -8.995 2.353 1.00 0.00 H new ATOM 0 HB2 GLN A 16 6.944 -6.556 3.062 1.00 0.00 H new ATOM 0 HB3 GLN A 16 6.497 -6.166 1.413 1.00 0.00 H new ATOM 0 HG2 GLN A 16 4.489 -7.541 1.548 1.00 0.00 H new ATOM 0 HG3 GLN A 16 4.980 -8.209 3.091 1.00 0.00 H new ATOM 0 HE21 GLN A 16 5.784 -4.894 3.129 1.00 0.00 H new ATOM 0 HE22 GLN A 16 4.324 -4.296 3.925 1.00 0.00 H new ATOM 226 N LEU A 17 7.217 -7.893 -0.770 1.00 0.00 N ATOM 227 CA LEU A 17 6.957 -8.233 -2.166 1.00 0.00 C ATOM 228 C LEU A 17 7.360 -9.687 -2.425 1.00 0.00 C ATOM 229 O LEU A 17 6.552 -10.481 -2.901 1.00 0.00 O ATOM 230 CB LEU A 17 7.716 -7.237 -3.068 1.00 0.00 C ATOM 231 CG LEU A 17 7.816 -7.601 -4.556 1.00 0.00 C ATOM 232 CD1 LEU A 17 6.443 -7.763 -5.209 1.00 0.00 C ATOM 233 CD2 LEU A 17 8.594 -6.501 -5.288 1.00 0.00 C ATOM 0 H LEU A 17 7.739 -7.024 -0.656 1.00 0.00 H new ATOM 0 HA LEU A 17 5.895 -8.152 -2.396 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.231 -6.264 -2.986 1.00 0.00 H new ATOM 0 HB3 LEU A 17 8.727 -7.123 -2.676 1.00 0.00 H new ATOM 0 HG LEU A 17 8.331 -8.559 -4.629 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.568 -8.020 -6.261 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.892 -8.557 -4.705 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.889 -6.828 -5.128 1.00 0.00 H new ATOM 0 HD21 LEU A 17 8.670 -6.752 -6.346 1.00 0.00 H new ATOM 0 HD22 LEU A 17 8.072 -5.551 -5.177 1.00 0.00 H new ATOM 0 HD23 LEU A 17 9.594 -6.418 -4.862 1.00 0.00 H new ATOM 245 N ALA A 18 8.597 -10.034 -2.069 1.00 0.00 N ATOM 246 CA ALA A 18 9.142 -11.366 -2.263 1.00 0.00 C ATOM 247 C ALA A 18 8.334 -12.426 -1.507 1.00 0.00 C ATOM 248 O ALA A 18 7.788 -13.338 -2.130 1.00 0.00 O ATOM 249 CB ALA A 18 10.607 -11.367 -1.824 1.00 0.00 C ATOM 0 H ALA A 18 9.252 -9.385 -1.633 1.00 0.00 H new ATOM 0 HA ALA A 18 9.078 -11.626 -3.320 1.00 0.00 H new ATOM 0 HB1 ALA A 18 11.028 -12.362 -1.965 1.00 0.00 H new ATOM 0 HB2 ALA A 18 11.167 -10.648 -2.422 1.00 0.00 H new ATOM 0 HB3 ALA A 18 10.672 -11.091 -0.771 1.00 0.00 H new ATOM 255 N LYS A 19 8.237 -12.328 -0.172 1.00 0.00 N ATOM 256 CA LYS A 19 7.529 -13.356 0.597 1.00 0.00 C ATOM 257 C LYS A 19 6.060 -13.459 0.174 1.00 0.00 C ATOM 258 O LYS A 19 5.444 -14.506 0.367 1.00 0.00 O ATOM 259 CB LYS A 19 7.668 -13.126 2.109 1.00 0.00 C ATOM 260 CG LYS A 19 6.883 -11.918 2.626 1.00 0.00 C ATOM 261 CD LYS A 19 6.927 -11.789 4.156 1.00 0.00 C ATOM 262 CE LYS A 19 8.344 -11.698 4.737 1.00 0.00 C ATOM 263 NZ LYS A 19 9.110 -10.590 4.145 1.00 0.00 N ATOM 0 H LYS A 19 8.629 -11.568 0.383 1.00 0.00 H new ATOM 0 HA LYS A 19 8.000 -14.313 0.372 1.00 0.00 H new ATOM 0 HB2 LYS A 19 7.330 -14.019 2.635 1.00 0.00 H new ATOM 0 HB3 LYS A 19 8.722 -12.993 2.351 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.286 -11.010 2.178 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.845 -12.000 2.303 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.367 -10.901 4.451 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.420 -12.647 4.597 1.00 0.00 H new ATOM 0 HE2 LYS A 19 8.285 -11.562 5.817 1.00 0.00 H new ATOM 0 HE3 LYS A 19 8.869 -12.637 4.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 10.050 -10.542 4.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 9.217 -10.749 3.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.605 -9.695 4.305 1.00 0.00 H new ATOM 277 N GLY A 20 5.499 -12.385 -0.390 1.00 0.00 N ATOM 278 CA GLY A 20 4.143 -12.367 -0.902 1.00 0.00 C ATOM 279 C GLY A 20 3.919 -13.395 -2.015 1.00 0.00 C ATOM 280 O GLY A 20 2.771 -13.768 -2.246 1.00 0.00 O ATOM 0 H GLY A 20 5.988 -11.497 -0.501 1.00 0.00 H new ATOM 0 HA2 GLY A 20 3.448 -12.564 -0.086 1.00 0.00 H new ATOM 0 HA3 GLY A 20 3.915 -11.371 -1.282 1.00 0.00 H new ATOM 284 N LYS A 21 4.979 -13.848 -2.709 1.00 0.00 N ATOM 285 CA LYS A 21 4.883 -14.805 -3.815 1.00 0.00 C ATOM 286 C LYS A 21 3.901 -14.240 -4.842 1.00 0.00 C ATOM 287 O LYS A 21 2.876 -14.840 -5.162 1.00 0.00 O ATOM 288 CB LYS A 21 4.475 -16.199 -3.307 1.00 0.00 C ATOM 289 CG LYS A 21 5.512 -16.733 -2.311 1.00 0.00 C ATOM 290 CD LYS A 21 5.033 -18.035 -1.659 1.00 0.00 C ATOM 291 CE LYS A 21 5.908 -18.390 -0.450 1.00 0.00 C ATOM 292 NZ LYS A 21 5.685 -17.465 0.680 1.00 0.00 N ATOM 0 H LYS A 21 5.935 -13.553 -2.511 1.00 0.00 H new ATOM 0 HA LYS A 21 5.854 -14.939 -4.292 1.00 0.00 H new ATOM 0 HB2 LYS A 21 3.497 -16.146 -2.829 1.00 0.00 H new ATOM 0 HB3 LYS A 21 4.382 -16.886 -4.148 1.00 0.00 H new ATOM 0 HG2 LYS A 21 6.458 -16.906 -2.824 1.00 0.00 H new ATOM 0 HG3 LYS A 21 5.700 -15.985 -1.541 1.00 0.00 H new ATOM 0 HD2 LYS A 21 3.995 -17.929 -1.344 1.00 0.00 H new ATOM 0 HD3 LYS A 21 5.064 -18.845 -2.387 1.00 0.00 H new ATOM 0 HE2 LYS A 21 5.692 -19.410 -0.132 1.00 0.00 H new ATOM 0 HE3 LYS A 21 6.958 -18.362 -0.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 6.147 -17.841 1.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 6.087 -16.534 0.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 4.664 -17.369 0.853 1.00 0.00 H new ATOM 306 N GLU A 22 4.268 -13.065 -5.350 1.00 0.00 N ATOM 307 CA GLU A 22 3.555 -12.158 -6.235 1.00 0.00 C ATOM 308 C GLU A 22 3.204 -12.705 -7.630 1.00 0.00 C ATOM 309 O GLU A 22 3.215 -11.943 -8.590 1.00 0.00 O ATOM 310 CB GLU A 22 4.418 -10.884 -6.348 1.00 0.00 C ATOM 311 CG GLU A 22 5.795 -11.104 -7.010 1.00 0.00 C ATOM 312 CD GLU A 22 6.950 -11.354 -6.037 1.00 0.00 C ATOM 313 OE1 GLU A 22 6.879 -12.359 -5.297 1.00 0.00 O ATOM 314 OE2 GLU A 22 7.904 -10.548 -6.071 1.00 0.00 O ATOM 0 H GLU A 22 5.186 -12.684 -5.120 1.00 0.00 H new ATOM 0 HA GLU A 22 2.576 -11.975 -5.793 1.00 0.00 H new ATOM 0 HB2 GLU A 22 3.868 -10.137 -6.921 1.00 0.00 H new ATOM 0 HB3 GLU A 22 4.570 -10.473 -5.350 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.723 -11.953 -7.690 1.00 0.00 H new ATOM 0 HG3 GLU A 22 6.033 -10.230 -7.616 1.00 0.00 H new ATOM 321 N GLU A 23 2.845 -13.984 -7.757 1.00 0.00 N ATOM 322 CA GLU A 23 2.472 -14.590 -9.029 1.00 0.00 C ATOM 323 C GLU A 23 1.257 -13.842 -9.586 1.00 0.00 C ATOM 324 O GLU A 23 1.390 -13.010 -10.479 1.00 0.00 O ATOM 325 CB GLU A 23 2.192 -16.088 -8.819 1.00 0.00 C ATOM 326 CG GLU A 23 3.432 -16.842 -8.319 1.00 0.00 C ATOM 327 CD GLU A 23 3.090 -18.289 -7.980 1.00 0.00 C ATOM 328 OE1 GLU A 23 2.415 -18.480 -6.944 1.00 0.00 O ATOM 329 OE2 GLU A 23 3.500 -19.173 -8.763 1.00 0.00 O ATOM 0 H GLU A 23 2.806 -14.631 -6.970 1.00 0.00 H new ATOM 0 HA GLU A 23 3.281 -14.512 -9.755 1.00 0.00 H new ATOM 0 HB2 GLU A 23 1.381 -16.208 -8.100 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.854 -16.528 -9.757 1.00 0.00 H new ATOM 0 HG2 GLU A 23 4.210 -16.817 -9.082 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.835 -16.343 -7.437 1.00 0.00 H new ATOM 336 N HIS A 24 0.073 -14.107 -9.029 1.00 0.00 N ATOM 337 CA HIS A 24 -1.166 -13.429 -9.394 1.00 0.00 C ATOM 338 C HIS A 24 -1.701 -12.609 -8.226 1.00 0.00 C ATOM 339 O HIS A 24 -2.831 -12.132 -8.255 1.00 0.00 O ATOM 340 CB HIS A 24 -2.201 -14.480 -9.805 1.00 0.00 C ATOM 341 CG HIS A 24 -2.730 -15.254 -8.622 1.00 0.00 C ATOM 342 ND1 HIS A 24 -1.980 -16.259 -8.003 1.00 0.00 N ATOM 343 CD2 HIS A 24 -3.877 -15.055 -7.901 1.00 0.00 C ATOM 344 CE1 HIS A 24 -2.750 -16.680 -6.993 1.00 0.00 C ATOM 345 NE2 HIS A 24 -3.887 -15.975 -6.876 1.00 0.00 N ATOM 0 H HIS A 24 -0.050 -14.810 -8.301 1.00 0.00 H new ATOM 0 HA HIS A 24 -0.969 -12.749 -10.223 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -3.030 -13.990 -10.316 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -1.751 -15.171 -10.517 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -4.635 -14.312 -8.100 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -2.485 -17.500 -6.341 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -4.613 -16.097 -6.170 1.00 0.00 H new ATOM 353 N LYS A 25 -0.888 -12.444 -7.189 1.00 0.00 N ATOM 354 CA LYS A 25 -1.345 -11.794 -5.976 1.00 0.00 C ATOM 355 C LYS A 25 -1.408 -10.281 -6.194 1.00 0.00 C ATOM 356 O LYS A 25 -0.517 -9.713 -6.826 1.00 0.00 O ATOM 357 CB LYS A 25 -0.428 -12.082 -4.783 1.00 0.00 C ATOM 358 CG LYS A 25 0.109 -13.515 -4.716 1.00 0.00 C ATOM 359 CD LYS A 25 -1.020 -14.539 -4.572 1.00 0.00 C ATOM 360 CE LYS A 25 -0.455 -15.941 -4.328 1.00 0.00 C ATOM 361 NZ LYS A 25 0.378 -16.405 -5.452 1.00 0.00 N ATOM 0 H LYS A 25 0.085 -12.751 -7.168 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.333 -12.194 -5.749 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.417 -11.394 -4.818 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -0.974 -11.870 -3.864 1.00 0.00 H new ATOM 0 HG2 LYS A 25 0.683 -13.731 -5.617 1.00 0.00 H new ATOM 0 HG3 LYS A 25 0.794 -13.608 -3.873 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -1.671 -14.255 -3.745 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -1.633 -14.541 -5.474 1.00 0.00 H new ATOM 0 HE2 LYS A 25 0.139 -15.938 -3.414 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.276 -16.641 -4.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 0.572 -17.421 -5.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -0.125 -16.242 -6.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 1.276 -15.880 -5.459 1.00 0.00 H new ATOM 375 N PRO A 26 -2.438 -9.610 -5.677 1.00 0.00 N ATOM 376 CA PRO A 26 -2.535 -8.162 -5.729 1.00 0.00 C ATOM 377 C PRO A 26 -1.547 -7.493 -4.764 1.00 0.00 C ATOM 378 O PRO A 26 -1.845 -7.326 -3.578 1.00 0.00 O ATOM 379 CB PRO A 26 -3.992 -7.847 -5.378 1.00 0.00 C ATOM 380 CG PRO A 26 -4.367 -9.032 -4.494 1.00 0.00 C ATOM 381 CD PRO A 26 -3.667 -10.196 -5.166 1.00 0.00 C ATOM 0 HA PRO A 26 -2.270 -7.771 -6.712 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -4.089 -6.898 -4.851 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -4.621 -7.785 -6.266 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -4.025 -8.894 -3.468 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -5.446 -9.179 -4.454 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -3.463 -11.002 -4.461 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -4.273 -10.619 -5.968 1.00 0.00 H new ATOM 389 N ILE A 27 -0.364 -7.115 -5.268 1.00 0.00 N ATOM 390 CA ILE A 27 0.564 -6.282 -4.514 1.00 0.00 C ATOM 391 C ILE A 27 0.126 -4.861 -4.867 1.00 0.00 C ATOM 392 O ILE A 27 0.523 -4.335 -5.908 1.00 0.00 O ATOM 393 CB ILE A 27 2.038 -6.549 -4.888 1.00 0.00 C ATOM 394 CG1 ILE A 27 2.592 -7.868 -4.322 1.00 0.00 C ATOM 395 CG2 ILE A 27 2.939 -5.446 -4.309 1.00 0.00 C ATOM 396 CD1 ILE A 27 1.846 -9.119 -4.773 1.00 0.00 C ATOM 0 H ILE A 27 -0.033 -7.377 -6.197 1.00 0.00 H new ATOM 0 HA ILE A 27 0.530 -6.482 -3.443 1.00 0.00 H new ATOM 0 HB ILE A 27 2.047 -6.585 -5.977 1.00 0.00 H new ATOM 0 HG12 ILE A 27 3.638 -7.961 -4.613 1.00 0.00 H new ATOM 0 HG13 ILE A 27 2.567 -7.819 -3.233 1.00 0.00 H new ATOM 0 HG21 ILE A 27 3.976 -5.644 -4.579 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.637 -4.480 -4.714 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.843 -5.431 -3.223 1.00 0.00 H new ATOM 0 HD11 ILE A 27 2.307 -9.999 -4.324 1.00 0.00 H new ATOM 0 HD12 ILE A 27 0.804 -9.055 -4.458 1.00 0.00 H new ATOM 0 HD13 ILE A 27 1.893 -9.199 -5.859 1.00 0.00 H new ATOM 408 N VAL A 28 -0.743 -4.272 -4.045 1.00 0.00 N ATOM 409 CA VAL A 28 -1.282 -2.942 -4.260 1.00 0.00 C ATOM 410 C VAL A 28 -0.329 -1.967 -3.577 1.00 0.00 C ATOM 411 O VAL A 28 -0.105 -2.069 -2.373 1.00 0.00 O ATOM 412 CB VAL A 28 -2.712 -2.830 -3.703 1.00 0.00 C ATOM 413 CG1 VAL A 28 -3.368 -1.558 -4.256 1.00 0.00 C ATOM 414 CG2 VAL A 28 -3.572 -4.038 -4.096 1.00 0.00 C ATOM 0 H VAL A 28 -1.094 -4.719 -3.198 1.00 0.00 H new ATOM 0 HA VAL A 28 -1.356 -2.715 -5.324 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.647 -2.795 -2.616 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -4.382 -1.472 -3.865 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.787 -0.687 -3.952 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.402 -1.610 -5.344 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.574 -3.921 -3.684 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.632 -4.104 -5.182 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.122 -4.949 -3.702 1.00 0.00 H new ATOM 424 N VAL A 29 0.251 -1.038 -4.334 1.00 0.00 N ATOM 425 CA VAL A 29 1.243 -0.103 -3.838 1.00 0.00 C ATOM 426 C VAL A 29 0.668 1.304 -3.757 1.00 0.00 C ATOM 427 O VAL A 29 0.336 1.875 -4.794 1.00 0.00 O ATOM 428 CB VAL A 29 2.468 -0.090 -4.764 1.00 0.00 C ATOM 429 CG1 VAL A 29 3.632 0.491 -3.961 1.00 0.00 C ATOM 430 CG2 VAL A 29 2.831 -1.472 -5.315 1.00 0.00 C ATOM 0 H VAL A 29 0.038 -0.917 -5.324 1.00 0.00 H new ATOM 0 HA VAL A 29 1.538 -0.426 -2.840 1.00 0.00 H new ATOM 0 HB VAL A 29 2.239 0.516 -5.641 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.526 0.518 -4.584 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.383 1.502 -3.639 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.818 -0.133 -3.087 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.705 -1.388 -5.961 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.054 -2.146 -4.488 1.00 0.00 H new ATOM 0 HG23 VAL A 29 1.992 -1.867 -5.889 1.00 0.00 H new ATOM 440 N ASP A 30 0.582 1.860 -2.547 1.00 0.00 N ATOM 441 CA ASP A 30 0.148 3.226 -2.297 1.00 0.00 C ATOM 442 C ASP A 30 1.375 4.134 -2.300 1.00 0.00 C ATOM 443 O ASP A 30 2.152 4.131 -1.341 1.00 0.00 O ATOM 444 CB ASP A 30 -0.574 3.291 -0.945 1.00 0.00 C ATOM 445 CG ASP A 30 -1.051 4.684 -0.527 1.00 0.00 C ATOM 446 OD1 ASP A 30 -0.651 5.679 -1.168 1.00 0.00 O ATOM 447 OD2 ASP A 30 -1.824 4.728 0.455 1.00 0.00 O ATOM 0 H ASP A 30 0.820 1.354 -1.694 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.544 3.556 -3.072 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.436 2.624 -0.979 1.00 0.00 H new ATOM 0 HB3 ASP A 30 0.095 2.907 -0.175 1.00 0.00 H new ATOM 452 N PHE A 31 1.555 4.888 -3.383 1.00 0.00 N ATOM 453 CA PHE A 31 2.576 5.915 -3.485 1.00 0.00 C ATOM 454 C PHE A 31 1.881 7.231 -3.140 1.00 0.00 C ATOM 455 O PHE A 31 0.829 7.531 -3.701 1.00 0.00 O ATOM 456 CB PHE A 31 3.173 5.941 -4.894 1.00 0.00 C ATOM 457 CG PHE A 31 4.010 4.726 -5.254 1.00 0.00 C ATOM 458 CD1 PHE A 31 5.393 4.735 -4.997 1.00 0.00 C ATOM 459 CD2 PHE A 31 3.443 3.646 -5.959 1.00 0.00 C ATOM 460 CE1 PHE A 31 6.215 3.711 -5.495 1.00 0.00 C ATOM 461 CE2 PHE A 31 4.270 2.624 -6.464 1.00 0.00 C ATOM 462 CZ PHE A 31 5.656 2.648 -6.224 1.00 0.00 C ATOM 0 H PHE A 31 0.984 4.797 -4.224 1.00 0.00 H new ATOM 0 HA PHE A 31 3.409 5.729 -2.807 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.361 6.032 -5.616 1.00 0.00 H new ATOM 0 HB3 PHE A 31 3.791 6.833 -4.995 1.00 0.00 H new ATOM 0 HD1 PHE A 31 5.825 5.534 -4.413 1.00 0.00 H new ATOM 0 HD2 PHE A 31 2.375 3.602 -6.112 1.00 0.00 H new ATOM 0 HE1 PHE A 31 7.280 3.741 -5.317 1.00 0.00 H new ATOM 0 HE2 PHE A 31 3.838 1.818 -7.038 1.00 0.00 H new ATOM 0 HZ PHE A 31 6.286 1.854 -6.598 1.00 0.00 H new ATOM 472 N THR A 32 2.448 8.012 -2.221 1.00 0.00 N ATOM 473 CA THR A 32 1.889 9.268 -1.731 1.00 0.00 C ATOM 474 C THR A 32 3.048 10.094 -1.158 1.00 0.00 C ATOM 475 O THR A 32 4.196 9.684 -1.320 1.00 0.00 O ATOM 476 CB THR A 32 0.768 8.953 -0.721 1.00 0.00 C ATOM 477 OG1 THR A 32 0.235 10.149 -0.191 1.00 0.00 O ATOM 478 CG2 THR A 32 1.255 8.075 0.436 1.00 0.00 C ATOM 0 H THR A 32 3.339 7.778 -1.783 1.00 0.00 H new ATOM 0 HA THR A 32 1.423 9.864 -2.516 1.00 0.00 H new ATOM 0 HB THR A 32 0.001 8.404 -1.267 1.00 0.00 H new ATOM 0 HG1 THR A 32 -0.690 9.997 0.094 1.00 0.00 H new ATOM 0 HG21 THR A 32 0.428 7.882 1.119 1.00 0.00 H new ATOM 0 HG22 THR A 32 1.629 7.130 0.043 1.00 0.00 H new ATOM 0 HG23 THR A 32 2.055 8.588 0.970 1.00 0.00 H new ATOM 486 N ALA A 33 2.775 11.232 -0.511 1.00 0.00 N ATOM 487 CA ALA A 33 3.803 12.136 0.007 1.00 0.00 C ATOM 488 C ALA A 33 3.453 12.643 1.408 1.00 0.00 C ATOM 489 O ALA A 33 2.431 13.305 1.571 1.00 0.00 O ATOM 490 CB ALA A 33 3.958 13.318 -0.949 1.00 0.00 C ATOM 0 H ALA A 33 1.824 11.553 -0.331 1.00 0.00 H new ATOM 0 HA ALA A 33 4.741 11.585 0.079 1.00 0.00 H new ATOM 0 HB1 ALA A 33 4.723 13.996 -0.569 1.00 0.00 H new ATOM 0 HB2 ALA A 33 4.253 12.954 -1.933 1.00 0.00 H new ATOM 0 HB3 ALA A 33 3.009 13.849 -1.028 1.00 0.00 H new ATOM 496 N THR A 34 4.316 12.369 2.395 1.00 0.00 N ATOM 497 CA THR A 34 4.192 12.745 3.807 1.00 0.00 C ATOM 498 C THR A 34 3.567 14.129 3.985 1.00 0.00 C ATOM 499 O THR A 34 2.496 14.286 4.566 1.00 0.00 O ATOM 500 CB THR A 34 5.594 12.744 4.441 1.00 0.00 C ATOM 501 OG1 THR A 34 6.468 13.449 3.578 1.00 0.00 O ATOM 502 CG2 THR A 34 6.128 11.327 4.660 1.00 0.00 C ATOM 0 H THR A 34 5.173 11.846 2.216 1.00 0.00 H new ATOM 0 HA THR A 34 3.537 12.021 4.292 1.00 0.00 H new ATOM 0 HB THR A 34 5.533 13.220 5.419 1.00 0.00 H new ATOM 0 HG1 THR A 34 7.397 13.255 3.823 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.120 11.377 5.109 1.00 0.00 H new ATOM 0 HG22 THR A 34 5.456 10.784 5.324 1.00 0.00 H new ATOM 0 HG23 THR A 34 6.189 10.809 3.703 1.00 0.00 H new ATOM 510 N TRP A 35 4.285 15.133 3.487 1.00 0.00 N ATOM 511 CA TRP A 35 3.927 16.538 3.562 1.00 0.00 C ATOM 512 C TRP A 35 2.530 16.816 2.991 1.00 0.00 C ATOM 513 O TRP A 35 1.833 17.704 3.481 1.00 0.00 O ATOM 514 CB TRP A 35 5.019 17.369 2.867 1.00 0.00 C ATOM 515 CG TRP A 35 5.709 16.763 1.675 1.00 0.00 C ATOM 516 CD1 TRP A 35 6.873 16.071 1.713 1.00 0.00 C ATOM 517 CD2 TRP A 35 5.326 16.798 0.267 1.00 0.00 C ATOM 518 NE1 TRP A 35 7.248 15.697 0.444 1.00 0.00 N ATOM 519 CE2 TRP A 35 6.332 16.127 -0.493 1.00 0.00 C ATOM 520 CE3 TRP A 35 4.234 17.335 -0.449 1.00 0.00 C ATOM 521 CZ2 TRP A 35 6.259 15.999 -1.889 1.00 0.00 C ATOM 522 CZ3 TRP A 35 4.148 17.205 -1.849 1.00 0.00 C ATOM 523 CH2 TRP A 35 5.159 16.545 -2.568 1.00 0.00 C ATOM 0 H TRP A 35 5.168 14.978 3.001 1.00 0.00 H new ATOM 0 HA TRP A 35 3.872 16.833 4.610 1.00 0.00 H new ATOM 0 HB2 TRP A 35 4.573 18.312 2.552 1.00 0.00 H new ATOM 0 HB3 TRP A 35 5.781 17.609 3.609 1.00 0.00 H new ATOM 0 HD1 TRP A 35 7.427 15.845 2.612 1.00 0.00 H new ATOM 0 HE1 TRP A 35 8.093 15.170 0.224 1.00 0.00 H new ATOM 0 HE3 TRP A 35 3.452 17.854 0.085 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 7.039 15.487 -2.433 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 3.298 17.616 -2.374 1.00 0.00 H new ATOM 0 HH2 TRP A 35 5.089 16.458 -3.642 1.00 0.00 H new ATOM 534 N CYS A 36 2.092 16.075 1.969 1.00 0.00 N ATOM 535 CA CYS A 36 0.769 16.291 1.406 1.00 0.00 C ATOM 536 C CYS A 36 -0.278 15.612 2.291 1.00 0.00 C ATOM 537 O CYS A 36 -0.739 14.507 2.008 1.00 0.00 O ATOM 538 CB CYS A 36 0.693 15.796 -0.034 1.00 0.00 C ATOM 539 SG CYS A 36 -0.980 15.966 -0.704 1.00 0.00 S ATOM 0 H CYS A 36 2.630 15.332 1.524 1.00 0.00 H new ATOM 0 HA CYS A 36 0.564 17.361 1.381 1.00 0.00 H new ATOM 0 HB2 CYS A 36 1.393 16.359 -0.651 1.00 0.00 H new ATOM 0 HB3 CYS A 36 1.000 14.751 -0.078 1.00 0.00 H new ATOM 544 N GLY A 37 -0.667 16.298 3.368 1.00 0.00 N ATOM 545 CA GLY A 37 -1.702 15.870 4.305 1.00 0.00 C ATOM 546 C GLY A 37 -2.859 15.108 3.634 1.00 0.00 C ATOM 547 O GLY A 37 -3.058 13.929 3.928 1.00 0.00 O ATOM 0 H GLY A 37 -0.255 17.197 3.618 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.251 15.234 5.066 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -2.102 16.745 4.817 1.00 0.00 H new ATOM 551 N PRO A 38 -3.626 15.727 2.719 1.00 0.00 N ATOM 552 CA PRO A 38 -4.741 15.054 2.062 1.00 0.00 C ATOM 553 C PRO A 38 -4.306 13.806 1.288 1.00 0.00 C ATOM 554 O PRO A 38 -5.068 12.847 1.196 1.00 0.00 O ATOM 555 CB PRO A 38 -5.401 16.106 1.163 1.00 0.00 C ATOM 556 CG PRO A 38 -4.311 17.156 0.956 1.00 0.00 C ATOM 557 CD PRO A 38 -3.521 17.105 2.263 1.00 0.00 C ATOM 0 HA PRO A 38 -5.449 14.673 2.797 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -5.724 15.675 0.216 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -6.284 16.536 1.635 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -3.683 16.920 0.097 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.734 18.145 0.780 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -2.481 17.389 2.106 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -3.932 17.796 2.999 1.00 0.00 H new ATOM 565 N CYS A 39 -3.083 13.786 0.752 1.00 0.00 N ATOM 566 CA CYS A 39 -2.576 12.612 0.051 1.00 0.00 C ATOM 567 C CYS A 39 -2.342 11.487 1.064 1.00 0.00 C ATOM 568 O CYS A 39 -2.403 10.311 0.706 1.00 0.00 O ATOM 569 CB CYS A 39 -1.268 12.895 -0.700 1.00 0.00 C ATOM 570 SG CYS A 39 -1.202 14.266 -1.876 1.00 0.00 S ATOM 0 H CYS A 39 -2.430 14.569 0.792 1.00 0.00 H new ATOM 0 HA CYS A 39 -3.322 12.323 -0.689 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -0.492 13.066 0.046 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -0.997 11.987 -1.239 1.00 0.00 H new ATOM 575 N LYS A 40 -2.027 11.830 2.317 1.00 0.00 N ATOM 576 CA LYS A 40 -1.823 10.855 3.380 1.00 0.00 C ATOM 577 C LYS A 40 -3.155 10.397 3.967 1.00 0.00 C ATOM 578 O LYS A 40 -3.253 9.247 4.383 1.00 0.00 O ATOM 579 CB LYS A 40 -0.904 11.426 4.466 1.00 0.00 C ATOM 580 CG LYS A 40 0.509 11.708 3.941 1.00 0.00 C ATOM 581 CD LYS A 40 1.221 10.478 3.356 1.00 0.00 C ATOM 582 CE LYS A 40 1.400 9.349 4.379 1.00 0.00 C ATOM 583 NZ LYS A 40 2.225 8.261 3.827 1.00 0.00 N ATOM 0 H LYS A 40 -1.907 12.797 2.618 1.00 0.00 H new ATOM 0 HA LYS A 40 -1.335 9.980 2.951 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -1.335 12.348 4.856 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -0.847 10.724 5.297 1.00 0.00 H new ATOM 0 HG2 LYS A 40 0.452 12.480 3.174 1.00 0.00 H new ATOM 0 HG3 LYS A 40 1.113 12.111 4.754 1.00 0.00 H new ATOM 0 HD2 LYS A 40 0.650 10.104 2.506 1.00 0.00 H new ATOM 0 HD3 LYS A 40 2.198 10.776 2.977 1.00 0.00 H new ATOM 0 HE2 LYS A 40 1.868 9.742 5.282 1.00 0.00 H new ATOM 0 HE3 LYS A 40 0.425 8.959 4.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 2.653 7.721 4.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 1.629 7.630 3.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 2.976 8.663 3.231 1.00 0.00 H new ATOM 597 N MET A 41 -4.187 11.246 3.974 1.00 0.00 N ATOM 598 CA MET A 41 -5.511 10.868 4.481 1.00 0.00 C ATOM 599 C MET A 41 -6.073 9.645 3.747 1.00 0.00 C ATOM 600 O MET A 41 -6.925 8.939 4.281 1.00 0.00 O ATOM 601 CB MET A 41 -6.482 12.053 4.374 1.00 0.00 C ATOM 602 CG MET A 41 -6.151 13.171 5.371 1.00 0.00 C ATOM 603 SD MET A 41 -6.353 12.736 7.118 1.00 0.00 S ATOM 604 CE MET A 41 -5.747 14.256 7.881 1.00 0.00 C ATOM 0 H MET A 41 -4.131 12.205 3.632 1.00 0.00 H new ATOM 0 HA MET A 41 -5.398 10.596 5.530 1.00 0.00 H new ATOM 0 HB2 MET A 41 -6.453 12.453 3.361 1.00 0.00 H new ATOM 0 HB3 MET A 41 -7.499 11.703 4.549 1.00 0.00 H new ATOM 0 HG2 MET A 41 -5.120 13.486 5.209 1.00 0.00 H new ATOM 0 HG3 MET A 41 -6.785 14.030 5.152 1.00 0.00 H new ATOM 0 HE1 MET A 41 -5.800 14.165 8.966 1.00 0.00 H new ATOM 0 HE2 MET A 41 -4.713 14.426 7.581 1.00 0.00 H new ATOM 0 HE3 MET A 41 -6.362 15.096 7.557 1.00 0.00 H new ATOM 614 N ILE A 42 -5.595 9.363 2.535 1.00 0.00 N ATOM 615 CA ILE A 42 -6.002 8.181 1.791 1.00 0.00 C ATOM 616 C ILE A 42 -5.462 6.911 2.467 1.00 0.00 C ATOM 617 O ILE A 42 -6.077 5.852 2.374 1.00 0.00 O ATOM 618 CB ILE A 42 -5.479 8.286 0.352 1.00 0.00 C ATOM 619 CG1 ILE A 42 -6.052 9.527 -0.355 1.00 0.00 C ATOM 620 CG2 ILE A 42 -5.871 7.025 -0.430 1.00 0.00 C ATOM 621 CD1 ILE A 42 -5.157 9.920 -1.528 1.00 0.00 C ATOM 0 H ILE A 42 -4.917 9.948 2.047 1.00 0.00 H new ATOM 0 HA ILE A 42 -7.090 8.120 1.776 1.00 0.00 H new ATOM 0 HB ILE A 42 -4.394 8.380 0.387 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -7.061 9.319 -0.711 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -6.126 10.355 0.350 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -5.499 7.100 -1.452 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -5.436 6.149 0.051 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -6.957 6.929 -0.445 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -5.570 10.799 -2.022 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -4.156 10.147 -1.162 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -5.105 9.095 -2.238 1.00 0.00 H new ATOM 633 N ALA A 43 -4.308 6.993 3.136 1.00 0.00 N ATOM 634 CA ALA A 43 -3.668 5.847 3.771 1.00 0.00 C ATOM 635 C ALA A 43 -4.615 5.093 4.725 1.00 0.00 C ATOM 636 O ALA A 43 -4.822 3.901 4.507 1.00 0.00 O ATOM 637 CB ALA A 43 -2.379 6.283 4.479 1.00 0.00 C ATOM 0 H ALA A 43 -3.791 7.865 3.250 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.408 5.139 2.984 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.911 5.418 4.949 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.693 6.716 3.751 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.616 7.026 5.241 1.00 0.00 H new ATOM 643 N PRO A 44 -5.212 5.713 5.765 1.00 0.00 N ATOM 644 CA PRO A 44 -6.132 5.009 6.649 1.00 0.00 C ATOM 645 C PRO A 44 -7.299 4.401 5.873 1.00 0.00 C ATOM 646 O PRO A 44 -7.710 3.283 6.167 1.00 0.00 O ATOM 647 CB PRO A 44 -6.594 6.023 7.701 1.00 0.00 C ATOM 648 CG PRO A 44 -6.326 7.371 7.040 1.00 0.00 C ATOM 649 CD PRO A 44 -5.070 7.085 6.220 1.00 0.00 C ATOM 0 HA PRO A 44 -5.641 4.165 7.133 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -7.649 5.898 7.943 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -6.039 5.916 8.633 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -7.158 7.689 6.412 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -6.162 8.159 7.775 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -4.986 7.772 5.378 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -4.170 7.208 6.823 1.00 0.00 H new ATOM 657 N LEU A 45 -7.831 5.112 4.878 1.00 0.00 N ATOM 658 CA LEU A 45 -8.908 4.591 4.036 1.00 0.00 C ATOM 659 C LEU A 45 -8.448 3.287 3.371 1.00 0.00 C ATOM 660 O LEU A 45 -9.095 2.250 3.501 1.00 0.00 O ATOM 661 CB LEU A 45 -9.310 5.639 2.982 1.00 0.00 C ATOM 662 CG LEU A 45 -10.457 6.572 3.407 1.00 0.00 C ATOM 663 CD1 LEU A 45 -11.808 5.846 3.417 1.00 0.00 C ATOM 664 CD2 LEU A 45 -10.197 7.243 4.760 1.00 0.00 C ATOM 0 H LEU A 45 -7.531 6.056 4.635 1.00 0.00 H new ATOM 0 HA LEU A 45 -9.784 4.380 4.649 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.437 6.246 2.741 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -9.601 5.122 2.068 1.00 0.00 H new ATOM 0 HG LEU A 45 -10.499 7.360 2.655 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -12.591 6.540 3.722 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -12.026 5.469 2.418 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -11.768 5.012 4.118 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -11.037 7.890 5.012 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -10.084 6.479 5.529 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -9.285 7.838 4.702 1.00 0.00 H new ATOM 676 N PHE A 46 -7.313 3.342 2.676 1.00 0.00 N ATOM 677 CA PHE A 46 -6.678 2.203 2.023 1.00 0.00 C ATOM 678 C PHE A 46 -6.524 1.056 3.039 1.00 0.00 C ATOM 679 O PHE A 46 -6.946 -0.065 2.773 1.00 0.00 O ATOM 680 CB PHE A 46 -5.359 2.714 1.414 1.00 0.00 C ATOM 681 CG PHE A 46 -4.355 1.703 0.885 1.00 0.00 C ATOM 682 CD1 PHE A 46 -4.560 1.093 -0.366 1.00 0.00 C ATOM 683 CD2 PHE A 46 -3.097 1.591 1.507 1.00 0.00 C ATOM 684 CE1 PHE A 46 -3.510 0.395 -0.994 1.00 0.00 C ATOM 685 CE2 PHE A 46 -2.054 0.872 0.891 1.00 0.00 C ATOM 686 CZ PHE A 46 -2.247 0.298 -0.378 1.00 0.00 C ATOM 0 H PHE A 46 -6.794 4.211 2.549 1.00 0.00 H new ATOM 0 HA PHE A 46 -7.272 1.783 1.211 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -5.613 3.386 0.594 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -4.855 3.313 2.173 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -5.525 1.160 -0.846 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -2.930 2.061 2.465 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -3.675 -0.069 -1.955 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -1.105 0.761 1.394 1.00 0.00 H new ATOM 0 HZ PHE A 46 -1.435 -0.212 -0.875 1.00 0.00 H new ATOM 696 N GLU A 47 -5.998 1.339 4.233 1.00 0.00 N ATOM 697 CA GLU A 47 -5.842 0.356 5.301 1.00 0.00 C ATOM 698 C GLU A 47 -7.178 -0.145 5.839 1.00 0.00 C ATOM 699 O GLU A 47 -7.241 -1.297 6.259 1.00 0.00 O ATOM 700 CB GLU A 47 -5.000 0.977 6.419 1.00 0.00 C ATOM 701 CG GLU A 47 -3.560 1.262 5.969 1.00 0.00 C ATOM 702 CD GLU A 47 -2.845 2.152 6.978 1.00 0.00 C ATOM 703 OE1 GLU A 47 -2.501 1.623 8.055 1.00 0.00 O ATOM 704 OE2 GLU A 47 -2.661 3.347 6.656 1.00 0.00 O ATOM 0 H GLU A 47 -5.665 2.269 4.486 1.00 0.00 H new ATOM 0 HA GLU A 47 -5.337 -0.519 4.891 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.466 1.905 6.750 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -4.985 0.304 7.277 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.017 0.324 5.856 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -3.568 1.746 4.992 1.00 0.00 H new ATOM 711 N THR A 48 -8.245 0.655 5.827 1.00 0.00 N ATOM 712 CA THR A 48 -9.551 0.171 6.263 1.00 0.00 C ATOM 713 C THR A 48 -9.905 -1.056 5.420 1.00 0.00 C ATOM 714 O THR A 48 -10.394 -2.054 5.948 1.00 0.00 O ATOM 715 CB THR A 48 -10.615 1.275 6.153 1.00 0.00 C ATOM 716 OG1 THR A 48 -10.220 2.402 6.911 1.00 0.00 O ATOM 717 CG2 THR A 48 -11.964 0.803 6.701 1.00 0.00 C ATOM 0 H THR A 48 -8.230 1.629 5.524 1.00 0.00 H new ATOM 0 HA THR A 48 -9.518 -0.112 7.315 1.00 0.00 H new ATOM 0 HB THR A 48 -10.714 1.526 5.097 1.00 0.00 H new ATOM 0 HG1 THR A 48 -9.397 2.778 6.534 1.00 0.00 H new ATOM 0 HG21 THR A 48 -12.695 1.606 6.609 1.00 0.00 H new ATOM 0 HG22 THR A 48 -12.304 -0.064 6.134 1.00 0.00 H new ATOM 0 HG23 THR A 48 -11.855 0.530 7.751 1.00 0.00 H new ATOM 725 N LEU A 49 -9.589 -1.019 4.118 1.00 0.00 N ATOM 726 CA LEU A 49 -9.839 -2.152 3.240 1.00 0.00 C ATOM 727 C LEU A 49 -9.107 -3.405 3.734 1.00 0.00 C ATOM 728 O LEU A 49 -9.579 -4.499 3.458 1.00 0.00 O ATOM 729 CB LEU A 49 -9.438 -1.846 1.791 1.00 0.00 C ATOM 730 CG LEU A 49 -9.981 -0.542 1.204 1.00 0.00 C ATOM 731 CD1 LEU A 49 -9.535 -0.398 -0.256 1.00 0.00 C ATOM 732 CD2 LEU A 49 -11.507 -0.467 1.288 1.00 0.00 C ATOM 0 H LEU A 49 -9.161 -0.215 3.658 1.00 0.00 H new ATOM 0 HA LEU A 49 -10.912 -2.341 3.262 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -8.350 -1.821 1.734 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -9.771 -2.671 1.161 1.00 0.00 H new ATOM 0 HG LEU A 49 -9.575 0.278 1.797 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -9.926 0.533 -0.666 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -8.446 -0.387 -0.304 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -9.915 -1.238 -0.837 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -11.849 0.475 0.860 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -11.943 -1.297 0.733 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -11.817 -0.525 2.331 1.00 0.00 H new ATOM 744 N SER A 50 -7.996 -3.291 4.480 1.00 0.00 N ATOM 745 CA SER A 50 -7.309 -4.451 5.049 1.00 0.00 C ATOM 746 C SER A 50 -8.298 -5.338 5.793 1.00 0.00 C ATOM 747 O SER A 50 -8.189 -6.567 5.758 1.00 0.00 O ATOM 748 CB SER A 50 -6.230 -4.023 6.050 1.00 0.00 C ATOM 749 OG SER A 50 -5.480 -5.159 6.436 1.00 0.00 O ATOM 0 H SER A 50 -7.556 -2.398 4.702 1.00 0.00 H new ATOM 0 HA SER A 50 -6.852 -4.990 4.219 1.00 0.00 H new ATOM 0 HB2 SER A 50 -5.576 -3.275 5.601 1.00 0.00 H new ATOM 0 HB3 SER A 50 -6.690 -3.561 6.924 1.00 0.00 H new ATOM 0 HG SER A 50 -4.897 -4.926 7.188 1.00 0.00 H new ATOM 755 N ASN A 51 -9.240 -4.695 6.488 1.00 0.00 N ATOM 756 CA ASN A 51 -10.284 -5.408 7.218 1.00 0.00 C ATOM 757 C ASN A 51 -11.047 -6.341 6.274 1.00 0.00 C ATOM 758 O ASN A 51 -11.343 -7.480 6.624 1.00 0.00 O ATOM 759 CB ASN A 51 -11.251 -4.413 7.867 1.00 0.00 C ATOM 760 CG ASN A 51 -12.325 -5.136 8.675 1.00 0.00 C ATOM 761 OD1 ASN A 51 -12.150 -5.387 9.861 1.00 0.00 O ATOM 762 ND2 ASN A 51 -13.453 -5.464 8.052 1.00 0.00 N ATOM 0 H ASN A 51 -9.298 -3.679 6.559 1.00 0.00 H new ATOM 0 HA ASN A 51 -9.816 -6.005 8.001 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -10.698 -3.735 8.517 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -11.721 -3.803 7.096 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -14.199 -5.937 8.563 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -13.572 -5.243 7.063 1.00 0.00 H new ATOM 769 N ASP A 52 -11.366 -5.846 5.075 1.00 0.00 N ATOM 770 CA ASP A 52 -12.083 -6.597 4.058 1.00 0.00 C ATOM 771 C ASP A 52 -11.160 -7.629 3.411 1.00 0.00 C ATOM 772 O ASP A 52 -11.474 -8.819 3.380 1.00 0.00 O ATOM 773 CB ASP A 52 -12.628 -5.632 2.996 1.00 0.00 C ATOM 774 CG ASP A 52 -13.385 -6.388 1.911 1.00 0.00 C ATOM 775 OD1 ASP A 52 -14.577 -6.674 2.150 1.00 0.00 O ATOM 776 OD2 ASP A 52 -12.759 -6.664 0.866 1.00 0.00 O ATOM 0 H ASP A 52 -11.127 -4.898 4.786 1.00 0.00 H new ATOM 0 HA ASP A 52 -12.915 -7.124 4.524 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -13.289 -4.904 3.466 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -11.805 -5.074 2.549 1.00 0.00 H new ATOM 781 N TYR A 53 -10.000 -7.196 2.911 1.00 0.00 N ATOM 782 CA TYR A 53 -9.083 -8.061 2.200 1.00 0.00 C ATOM 783 C TYR A 53 -8.200 -8.755 3.225 1.00 0.00 C ATOM 784 O TYR A 53 -6.996 -8.515 3.312 1.00 0.00 O ATOM 785 CB TYR A 53 -8.316 -7.219 1.182 1.00 0.00 C ATOM 786 CG TYR A 53 -9.220 -6.643 0.105 1.00 0.00 C ATOM 787 CD1 TYR A 53 -9.675 -7.458 -0.945 1.00 0.00 C ATOM 788 CD2 TYR A 53 -9.717 -5.336 0.227 1.00 0.00 C ATOM 789 CE1 TYR A 53 -10.591 -6.957 -1.887 1.00 0.00 C ATOM 790 CE2 TYR A 53 -10.620 -4.825 -0.721 1.00 0.00 C ATOM 791 CZ TYR A 53 -11.080 -5.647 -1.762 1.00 0.00 C ATOM 792 OH TYR A 53 -11.951 -5.157 -2.686 1.00 0.00 O ATOM 0 H TYR A 53 -9.678 -6.232 2.993 1.00 0.00 H new ATOM 0 HA TYR A 53 -9.591 -8.844 1.636 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -7.807 -6.405 1.698 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -7.545 -7.832 0.715 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -9.320 -8.474 -1.029 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -9.403 -4.718 1.056 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -10.918 -7.580 -2.706 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -10.959 -3.802 -0.649 1.00 0.00 H new ATOM 0 HH TYR A 53 -12.192 -4.236 -2.452 1.00 0.00 H new ATOM 802 N ALA A 54 -8.840 -9.612 4.023 1.00 0.00 N ATOM 803 CA ALA A 54 -8.217 -10.389 5.080 1.00 0.00 C ATOM 804 C ALA A 54 -7.145 -11.329 4.522 1.00 0.00 C ATOM 805 O ALA A 54 -6.158 -11.606 5.202 1.00 0.00 O ATOM 806 CB ALA A 54 -9.299 -11.185 5.813 1.00 0.00 C ATOM 0 H ALA A 54 -9.842 -9.785 3.943 1.00 0.00 H new ATOM 0 HA ALA A 54 -7.723 -9.710 5.775 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -8.842 -11.772 6.609 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -10.028 -10.498 6.242 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -9.798 -11.852 5.111 1.00 0.00 H new ATOM 812 N GLY A 55 -7.353 -11.819 3.296 1.00 0.00 N ATOM 813 CA GLY A 55 -6.461 -12.748 2.618 1.00 0.00 C ATOM 814 C GLY A 55 -5.112 -12.134 2.230 1.00 0.00 C ATOM 815 O GLY A 55 -4.753 -11.036 2.658 1.00 0.00 O ATOM 0 H GLY A 55 -8.170 -11.570 2.738 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -6.286 -13.608 3.265 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -6.953 -13.120 1.719 1.00 0.00 H new ATOM 819 N LYS A 56 -4.385 -12.846 1.364 1.00 0.00 N ATOM 820 CA LYS A 56 -3.031 -12.540 0.901 1.00 0.00 C ATOM 821 C LYS A 56 -2.925 -11.306 -0.020 1.00 0.00 C ATOM 822 O LYS A 56 -2.121 -11.291 -0.949 1.00 0.00 O ATOM 823 CB LYS A 56 -2.449 -13.812 0.249 1.00 0.00 C ATOM 824 CG LYS A 56 -3.344 -14.541 -0.773 1.00 0.00 C ATOM 825 CD LYS A 56 -3.887 -13.617 -1.870 1.00 0.00 C ATOM 826 CE LYS A 56 -4.523 -14.402 -3.016 1.00 0.00 C ATOM 827 NZ LYS A 56 -5.733 -15.134 -2.611 1.00 0.00 N ATOM 0 H LYS A 56 -4.748 -13.701 0.944 1.00 0.00 H new ATOM 0 HA LYS A 56 -2.439 -12.251 1.769 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -1.516 -13.543 -0.247 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -2.197 -14.516 1.042 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -2.774 -15.347 -1.235 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -4.181 -15.003 -0.249 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -4.625 -12.940 -1.441 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -3.077 -13.000 -2.259 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -4.774 -13.715 -3.824 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -3.794 -15.108 -3.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -6.119 -15.647 -3.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -5.493 -15.812 -1.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -6.443 -14.462 -2.257 1.00 0.00 H new ATOM 841 N VAL A 57 -3.708 -10.256 0.222 1.00 0.00 N ATOM 842 CA VAL A 57 -3.637 -9.025 -0.552 1.00 0.00 C ATOM 843 C VAL A 57 -2.558 -8.170 0.098 1.00 0.00 C ATOM 844 O VAL A 57 -2.644 -7.895 1.296 1.00 0.00 O ATOM 845 CB VAL A 57 -5.018 -8.354 -0.577 1.00 0.00 C ATOM 846 CG1 VAL A 57 -5.033 -7.089 -1.443 1.00 0.00 C ATOM 847 CG2 VAL A 57 -6.068 -9.339 -1.113 1.00 0.00 C ATOM 0 H VAL A 57 -4.410 -10.238 0.962 1.00 0.00 H new ATOM 0 HA VAL A 57 -3.372 -9.194 -1.596 1.00 0.00 H new ATOM 0 HB VAL A 57 -5.253 -8.065 0.447 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -6.031 -6.650 -1.429 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -4.315 -6.370 -1.049 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.764 -7.346 -2.467 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -7.045 -8.857 -1.128 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -5.798 -9.644 -2.124 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -6.107 -10.217 -0.468 1.00 0.00 H new ATOM 857 N ILE A 58 -1.534 -7.772 -0.663 1.00 0.00 N ATOM 858 CA ILE A 58 -0.391 -7.080 -0.082 1.00 0.00 C ATOM 859 C ILE A 58 -0.516 -5.582 -0.360 1.00 0.00 C ATOM 860 O ILE A 58 -0.282 -5.132 -1.477 1.00 0.00 O ATOM 861 CB ILE A 58 0.910 -7.713 -0.606 1.00 0.00 C ATOM 862 CG1 ILE A 58 0.985 -9.207 -0.225 1.00 0.00 C ATOM 863 CG2 ILE A 58 2.125 -6.996 -0.012 1.00 0.00 C ATOM 864 CD1 ILE A 58 0.776 -10.111 -1.441 1.00 0.00 C ATOM 0 H ILE A 58 -1.477 -7.917 -1.671 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.367 -7.190 1.002 1.00 0.00 H new ATOM 0 HB ILE A 58 0.914 -7.615 -1.692 1.00 0.00 H new ATOM 0 HG12 ILE A 58 1.955 -9.420 0.225 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.229 -9.429 0.528 1.00 0.00 H new ATOM 0 HG21 ILE A 58 3.039 -7.454 -0.391 1.00 0.00 H new ATOM 0 HG22 ILE A 58 2.101 -5.944 -0.296 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.101 -7.079 1.075 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.836 -11.155 -1.133 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.205 -9.916 -1.875 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.548 -9.907 -2.183 1.00 0.00 H new ATOM 876 N PHE A 59 -0.892 -4.811 0.661 1.00 0.00 N ATOM 877 CA PHE A 59 -1.045 -3.366 0.573 1.00 0.00 C ATOM 878 C PHE A 59 0.273 -2.715 0.989 1.00 0.00 C ATOM 879 O PHE A 59 0.480 -2.433 2.170 1.00 0.00 O ATOM 880 CB PHE A 59 -2.162 -2.882 1.497 1.00 0.00 C ATOM 881 CG PHE A 59 -3.592 -3.138 1.063 1.00 0.00 C ATOM 882 CD1 PHE A 59 -4.087 -4.448 0.922 1.00 0.00 C ATOM 883 CD2 PHE A 59 -4.488 -2.058 1.020 1.00 0.00 C ATOM 884 CE1 PHE A 59 -5.466 -4.666 0.775 1.00 0.00 C ATOM 885 CE2 PHE A 59 -5.841 -2.269 0.724 1.00 0.00 C ATOM 886 CZ PHE A 59 -6.343 -3.577 0.647 1.00 0.00 C ATOM 0 H PHE A 59 -1.101 -5.184 1.587 1.00 0.00 H new ATOM 0 HA PHE A 59 -1.304 -3.093 -0.450 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -2.018 -3.349 2.471 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -2.041 -1.808 1.637 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -3.406 -5.286 0.927 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -4.132 -1.058 1.216 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -5.853 -5.674 0.760 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -6.496 -1.427 0.556 1.00 0.00 H new ATOM 0 HZ PHE A 59 -7.398 -3.745 0.490 1.00 0.00 H new ATOM 896 N LEU A 60 1.167 -2.480 0.032 1.00 0.00 N ATOM 897 CA LEU A 60 2.433 -1.815 0.290 1.00 0.00 C ATOM 898 C LEU A 60 2.208 -0.305 0.345 1.00 0.00 C ATOM 899 O LEU A 60 1.375 0.232 -0.384 1.00 0.00 O ATOM 900 CB LEU A 60 3.442 -2.150 -0.818 1.00 0.00 C ATOM 901 CG LEU A 60 3.797 -3.638 -0.938 1.00 0.00 C ATOM 902 CD1 LEU A 60 4.913 -3.823 -1.971 1.00 0.00 C ATOM 903 CD2 LEU A 60 4.255 -4.246 0.390 1.00 0.00 C ATOM 0 H LEU A 60 1.030 -2.747 -0.943 1.00 0.00 H new ATOM 0 HA LEU A 60 2.832 -2.160 1.244 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.039 -1.809 -1.772 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.357 -1.586 -0.639 1.00 0.00 H new ATOM 0 HG LEU A 60 2.888 -4.154 -1.248 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.162 -4.881 -2.053 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.577 -3.453 -2.940 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.796 -3.266 -1.657 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.493 -5.300 0.245 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.141 -3.720 0.745 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.458 -4.152 1.127 1.00 0.00 H new ATOM 915 N LYS A 61 2.957 0.383 1.209 1.00 0.00 N ATOM 916 CA LYS A 61 2.967 1.832 1.327 1.00 0.00 C ATOM 917 C LYS A 61 4.378 2.264 0.937 1.00 0.00 C ATOM 918 O LYS A 61 5.339 1.795 1.545 1.00 0.00 O ATOM 919 CB LYS A 61 2.607 2.238 2.762 1.00 0.00 C ATOM 920 CG LYS A 61 2.727 3.750 3.019 1.00 0.00 C ATOM 921 CD LYS A 61 1.786 4.669 2.222 1.00 0.00 C ATOM 922 CE LYS A 61 0.422 4.887 2.888 1.00 0.00 C ATOM 923 NZ LYS A 61 -0.403 3.668 2.913 1.00 0.00 N ATOM 0 H LYS A 61 3.592 -0.073 1.864 1.00 0.00 H new ATOM 0 HA LYS A 61 2.232 2.315 0.683 1.00 0.00 H new ATOM 0 HB2 LYS A 61 1.586 1.921 2.976 1.00 0.00 H new ATOM 0 HB3 LYS A 61 3.258 1.706 3.456 1.00 0.00 H new ATOM 0 HG2 LYS A 61 2.556 3.928 4.081 1.00 0.00 H new ATOM 0 HG3 LYS A 61 3.753 4.050 2.807 1.00 0.00 H new ATOM 0 HD2 LYS A 61 2.270 5.636 2.082 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.632 4.243 1.230 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.573 5.239 3.909 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -0.115 5.673 2.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -1.403 3.928 3.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -0.284 3.150 2.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -0.105 3.064 3.705 1.00 0.00 H new ATOM 937 N VAL A 62 4.506 3.105 -0.091 1.00 0.00 N ATOM 938 CA VAL A 62 5.793 3.538 -0.614 1.00 0.00 C ATOM 939 C VAL A 62 5.748 5.053 -0.800 1.00 0.00 C ATOM 940 O VAL A 62 5.677 5.567 -1.914 1.00 0.00 O ATOM 941 CB VAL A 62 6.085 2.775 -1.920 1.00 0.00 C ATOM 942 CG1 VAL A 62 7.503 3.057 -2.426 1.00 0.00 C ATOM 943 CG2 VAL A 62 5.984 1.258 -1.714 1.00 0.00 C ATOM 0 H VAL A 62 3.709 3.506 -0.585 1.00 0.00 H new ATOM 0 HA VAL A 62 6.609 3.314 0.073 1.00 0.00 H new ATOM 0 HB VAL A 62 5.343 3.117 -2.641 1.00 0.00 H new ATOM 0 HG11 VAL A 62 7.677 2.503 -3.349 1.00 0.00 H new ATOM 0 HG12 VAL A 62 7.616 4.124 -2.616 1.00 0.00 H new ATOM 0 HG13 VAL A 62 8.227 2.744 -1.673 1.00 0.00 H new ATOM 0 HG21 VAL A 62 6.195 0.748 -2.654 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.706 0.944 -0.961 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.978 1.002 -1.381 1.00 0.00 H new ATOM 953 N ASP A 63 5.767 5.783 0.313 1.00 0.00 N ATOM 954 CA ASP A 63 5.717 7.232 0.299 1.00 0.00 C ATOM 955 C ASP A 63 6.940 7.781 -0.439 1.00 0.00 C ATOM 956 O ASP A 63 8.073 7.524 -0.030 1.00 0.00 O ATOM 957 CB ASP A 63 5.657 7.754 1.732 1.00 0.00 C ATOM 958 CG ASP A 63 5.318 9.231 1.732 1.00 0.00 C ATOM 959 OD1 ASP A 63 6.154 10.018 1.238 1.00 0.00 O ATOM 960 OD2 ASP A 63 4.218 9.552 2.222 1.00 0.00 O ATOM 0 H ASP A 63 5.818 5.380 1.249 1.00 0.00 H new ATOM 0 HA ASP A 63 4.823 7.568 -0.226 1.00 0.00 H new ATOM 0 HB2 ASP A 63 4.908 7.201 2.298 1.00 0.00 H new ATOM 0 HB3 ASP A 63 6.615 7.592 2.227 1.00 0.00 H new ATOM 965 N VAL A 64 6.713 8.559 -1.499 1.00 0.00 N ATOM 966 CA VAL A 64 7.763 9.095 -2.352 1.00 0.00 C ATOM 967 C VAL A 64 8.721 9.996 -1.573 1.00 0.00 C ATOM 968 O VAL A 64 9.892 10.094 -1.930 1.00 0.00 O ATOM 969 CB VAL A 64 7.156 9.826 -3.569 1.00 0.00 C ATOM 970 CG1 VAL A 64 6.063 8.993 -4.255 1.00 0.00 C ATOM 971 CG2 VAL A 64 6.596 11.217 -3.239 1.00 0.00 C ATOM 0 H VAL A 64 5.775 8.836 -1.790 1.00 0.00 H new ATOM 0 HA VAL A 64 8.352 8.256 -2.723 1.00 0.00 H new ATOM 0 HB VAL A 64 7.995 9.961 -4.252 1.00 0.00 H new ATOM 0 HG11 VAL A 64 5.664 9.546 -5.105 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.487 8.051 -4.602 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.261 8.790 -3.545 1.00 0.00 H new ATOM 0 HG21 VAL A 64 6.187 11.668 -4.143 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.808 11.124 -2.491 1.00 0.00 H new ATOM 0 HG23 VAL A 64 7.395 11.847 -2.848 1.00 0.00 H new ATOM 981 N ASP A 65 8.240 10.655 -0.512 1.00 0.00 N ATOM 982 CA ASP A 65 9.086 11.510 0.309 1.00 0.00 C ATOM 983 C ASP A 65 10.147 10.667 1.025 1.00 0.00 C ATOM 984 O ASP A 65 11.234 11.157 1.314 1.00 0.00 O ATOM 985 CB ASP A 65 8.232 12.263 1.328 1.00 0.00 C ATOM 986 CG ASP A 65 9.030 13.368 2.007 1.00 0.00 C ATOM 987 OD1 ASP A 65 9.478 14.272 1.266 1.00 0.00 O ATOM 988 OD2 ASP A 65 9.121 13.319 3.253 1.00 0.00 O ATOM 0 H ASP A 65 7.268 10.608 -0.207 1.00 0.00 H new ATOM 0 HA ASP A 65 9.589 12.234 -0.332 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.362 12.692 0.831 1.00 0.00 H new ATOM 0 HB3 ASP A 65 7.859 11.567 2.079 1.00 0.00 H new ATOM 993 N ALA A 66 9.818 9.402 1.323 1.00 0.00 N ATOM 994 CA ALA A 66 10.696 8.478 2.021 1.00 0.00 C ATOM 995 C ALA A 66 11.381 7.540 1.025 1.00 0.00 C ATOM 996 O ALA A 66 12.575 7.667 0.761 1.00 0.00 O ATOM 997 CB ALA A 66 9.874 7.697 3.054 1.00 0.00 C ATOM 0 H ALA A 66 8.916 8.994 1.077 1.00 0.00 H new ATOM 0 HA ALA A 66 11.480 9.029 2.540 1.00 0.00 H new ATOM 0 HB1 ALA A 66 10.523 7.000 3.584 1.00 0.00 H new ATOM 0 HB2 ALA A 66 9.430 8.392 3.766 1.00 0.00 H new ATOM 0 HB3 ALA A 66 9.084 7.143 2.547 1.00 0.00 H new ATOM 1003 N VAL A 67 10.633 6.597 0.447 1.00 0.00 N ATOM 1004 CA VAL A 67 11.177 5.597 -0.462 1.00 0.00 C ATOM 1005 C VAL A 67 11.229 6.190 -1.880 1.00 0.00 C ATOM 1006 O VAL A 67 10.624 5.691 -2.833 1.00 0.00 O ATOM 1007 CB VAL A 67 10.367 4.293 -0.334 1.00 0.00 C ATOM 1008 CG1 VAL A 67 11.069 3.160 -1.088 1.00 0.00 C ATOM 1009 CG2 VAL A 67 10.260 3.827 1.128 1.00 0.00 C ATOM 0 H VAL A 67 9.628 6.509 0.600 1.00 0.00 H new ATOM 0 HA VAL A 67 12.203 5.330 -0.207 1.00 0.00 H new ATOM 0 HB VAL A 67 9.378 4.505 -0.740 1.00 0.00 H new ATOM 0 HG11 VAL A 67 10.488 2.243 -0.991 1.00 0.00 H new ATOM 0 HG12 VAL A 67 11.157 3.424 -2.142 1.00 0.00 H new ATOM 0 HG13 VAL A 67 12.063 3.005 -0.669 1.00 0.00 H new ATOM 0 HG21 VAL A 67 9.681 2.905 1.174 1.00 0.00 H new ATOM 0 HG22 VAL A 67 11.259 3.649 1.527 1.00 0.00 H new ATOM 0 HG23 VAL A 67 9.764 4.596 1.720 1.00 0.00 H new ATOM 1019 N ALA A 68 12.015 7.262 -2.010 1.00 0.00 N ATOM 1020 CA ALA A 68 12.210 7.990 -3.254 1.00 0.00 C ATOM 1021 C ALA A 68 12.713 7.060 -4.361 1.00 0.00 C ATOM 1022 O ALA A 68 12.245 7.143 -5.492 1.00 0.00 O ATOM 1023 CB ALA A 68 13.200 9.134 -3.017 1.00 0.00 C ATOM 0 H ALA A 68 12.544 7.653 -1.230 1.00 0.00 H new ATOM 0 HA ALA A 68 11.254 8.400 -3.580 1.00 0.00 H new ATOM 0 HB1 ALA A 68 13.350 9.684 -3.946 1.00 0.00 H new ATOM 0 HB2 ALA A 68 12.803 9.807 -2.257 1.00 0.00 H new ATOM 0 HB3 ALA A 68 14.153 8.727 -2.678 1.00 0.00 H new ATOM 1029 N ALA A 69 13.652 6.167 -4.032 1.00 0.00 N ATOM 1030 CA ALA A 69 14.247 5.226 -4.976 1.00 0.00 C ATOM 1031 C ALA A 69 13.175 4.437 -5.739 1.00 0.00 C ATOM 1032 O ALA A 69 13.177 4.397 -6.969 1.00 0.00 O ATOM 1033 CB ALA A 69 15.172 4.272 -4.215 1.00 0.00 C ATOM 0 H ALA A 69 14.023 6.079 -3.086 1.00 0.00 H new ATOM 0 HA ALA A 69 14.820 5.788 -5.713 1.00 0.00 H new ATOM 0 HB1 ALA A 69 15.621 3.566 -4.914 1.00 0.00 H new ATOM 0 HB2 ALA A 69 15.958 4.844 -3.722 1.00 0.00 H new ATOM 0 HB3 ALA A 69 14.597 3.727 -3.467 1.00 0.00 H new ATOM 1039 N VAL A 70 12.254 3.802 -5.011 1.00 0.00 N ATOM 1040 CA VAL A 70 11.198 3.028 -5.647 1.00 0.00 C ATOM 1041 C VAL A 70 10.285 3.977 -6.409 1.00 0.00 C ATOM 1042 O VAL A 70 9.896 3.676 -7.531 1.00 0.00 O ATOM 1043 CB VAL A 70 10.401 2.215 -4.619 1.00 0.00 C ATOM 1044 CG1 VAL A 70 9.331 1.364 -5.314 1.00 0.00 C ATOM 1045 CG2 VAL A 70 11.319 1.252 -3.868 1.00 0.00 C ATOM 0 H VAL A 70 12.221 3.811 -3.992 1.00 0.00 H new ATOM 0 HA VAL A 70 11.647 2.315 -6.338 1.00 0.00 H new ATOM 0 HB VAL A 70 9.942 2.927 -3.933 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.777 0.795 -4.567 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.645 2.014 -5.857 1.00 0.00 H new ATOM 0 HG13 VAL A 70 9.809 0.677 -6.012 1.00 0.00 H new ATOM 0 HG21 VAL A 70 10.736 0.684 -3.143 1.00 0.00 H new ATOM 0 HG22 VAL A 70 11.785 0.567 -4.576 1.00 0.00 H new ATOM 0 HG23 VAL A 70 12.092 1.817 -3.348 1.00 0.00 H new ATOM 1055 N ALA A 71 9.932 5.114 -5.807 1.00 0.00 N ATOM 1056 CA ALA A 71 9.062 6.089 -6.458 1.00 0.00 C ATOM 1057 C ALA A 71 9.590 6.491 -7.842 1.00 0.00 C ATOM 1058 O ALA A 71 8.847 6.455 -8.824 1.00 0.00 O ATOM 1059 CB ALA A 71 8.894 7.311 -5.560 1.00 0.00 C ATOM 0 H ALA A 71 10.236 5.380 -4.870 1.00 0.00 H new ATOM 0 HA ALA A 71 8.088 5.625 -6.614 1.00 0.00 H new ATOM 0 HB1 ALA A 71 8.244 8.036 -6.050 1.00 0.00 H new ATOM 0 HB2 ALA A 71 8.450 7.008 -4.612 1.00 0.00 H new ATOM 0 HB3 ALA A 71 9.868 7.764 -5.376 1.00 0.00 H new ATOM 1065 N GLU A 72 10.868 6.876 -7.940 1.00 0.00 N ATOM 1066 CA GLU A 72 11.437 7.264 -9.223 1.00 0.00 C ATOM 1067 C GLU A 72 11.538 6.037 -10.136 1.00 0.00 C ATOM 1068 O GLU A 72 11.153 6.121 -11.300 1.00 0.00 O ATOM 1069 CB GLU A 72 12.773 8.005 -9.043 1.00 0.00 C ATOM 1070 CG GLU A 72 13.913 7.173 -8.450 1.00 0.00 C ATOM 1071 CD GLU A 72 15.135 8.034 -8.149 1.00 0.00 C ATOM 1072 OE1 GLU A 72 15.786 8.456 -9.129 1.00 0.00 O ATOM 1073 OE2 GLU A 72 15.391 8.259 -6.946 1.00 0.00 O ATOM 0 H GLU A 72 11.516 6.925 -7.153 1.00 0.00 H new ATOM 0 HA GLU A 72 10.775 7.977 -9.713 1.00 0.00 H new ATOM 0 HB2 GLU A 72 13.091 8.386 -10.014 1.00 0.00 H new ATOM 0 HB3 GLU A 72 12.605 8.870 -8.401 1.00 0.00 H new ATOM 0 HG2 GLU A 72 13.573 6.689 -7.534 1.00 0.00 H new ATOM 0 HG3 GLU A 72 14.187 6.381 -9.147 1.00 0.00 H new ATOM 1080 N ALA A 73 11.998 4.888 -9.624 1.00 0.00 N ATOM 1081 CA ALA A 73 12.103 3.669 -10.427 1.00 0.00 C ATOM 1082 C ALA A 73 10.746 3.287 -11.035 1.00 0.00 C ATOM 1083 O ALA A 73 10.668 2.884 -12.193 1.00 0.00 O ATOM 1084 CB ALA A 73 12.641 2.528 -9.561 1.00 0.00 C ATOM 0 H ALA A 73 12.303 4.780 -8.657 1.00 0.00 H new ATOM 0 HA ALA A 73 12.794 3.854 -11.249 1.00 0.00 H new ATOM 0 HB1 ALA A 73 12.718 1.621 -10.161 1.00 0.00 H new ATOM 0 HB2 ALA A 73 13.626 2.795 -9.178 1.00 0.00 H new ATOM 0 HB3 ALA A 73 11.962 2.354 -8.726 1.00 0.00 H new ATOM 1090 N ALA A 74 9.674 3.427 -10.252 1.00 0.00 N ATOM 1091 CA ALA A 74 8.303 3.140 -10.649 1.00 0.00 C ATOM 1092 C ALA A 74 7.721 4.269 -11.517 1.00 0.00 C ATOM 1093 O ALA A 74 6.596 4.151 -11.998 1.00 0.00 O ATOM 1094 CB ALA A 74 7.466 2.916 -9.385 1.00 0.00 C ATOM 0 H ALA A 74 9.745 3.756 -9.289 1.00 0.00 H new ATOM 0 HA ALA A 74 8.283 2.239 -11.262 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.435 2.700 -9.665 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.873 2.076 -8.823 1.00 0.00 H new ATOM 0 HB3 ALA A 74 7.493 3.813 -8.767 1.00 0.00 H new ATOM 1100 N GLY A 75 8.462 5.364 -11.722 1.00 0.00 N ATOM 1101 CA GLY A 75 8.042 6.485 -12.546 1.00 0.00 C ATOM 1102 C GLY A 75 6.839 7.218 -11.961 1.00 0.00 C ATOM 1103 O GLY A 75 5.936 7.603 -12.701 1.00 0.00 O ATOM 0 H GLY A 75 9.386 5.491 -11.309 1.00 0.00 H new ATOM 0 HA2 GLY A 75 8.872 7.183 -12.655 1.00 0.00 H new ATOM 0 HA3 GLY A 75 7.795 6.126 -13.545 1.00 0.00 H new ATOM 1107 N ILE A 76 6.812 7.431 -10.643 1.00 0.00 N ATOM 1108 CA ILE A 76 5.710 8.161 -10.025 1.00 0.00 C ATOM 1109 C ILE A 76 5.852 9.645 -10.358 1.00 0.00 C ATOM 1110 O ILE A 76 6.940 10.209 -10.256 1.00 0.00 O ATOM 1111 CB ILE A 76 5.688 7.949 -8.502 1.00 0.00 C ATOM 1112 CG1 ILE A 76 5.591 6.462 -8.141 1.00 0.00 C ATOM 1113 CG2 ILE A 76 4.512 8.713 -7.874 1.00 0.00 C ATOM 1114 CD1 ILE A 76 4.291 5.772 -8.556 1.00 0.00 C ATOM 0 H ILE A 76 7.531 7.112 -9.994 1.00 0.00 H new ATOM 0 HA ILE A 76 4.767 7.784 -10.420 1.00 0.00 H new ATOM 0 HB ILE A 76 6.626 8.335 -8.103 1.00 0.00 H new ATOM 0 HG12 ILE A 76 6.426 5.937 -8.605 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.710 6.358 -7.062 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.509 8.554 -6.796 1.00 0.00 H new ATOM 0 HG22 ILE A 76 4.616 9.778 -8.083 1.00 0.00 H new ATOM 0 HG23 ILE A 76 3.575 8.350 -8.297 1.00 0.00 H new ATOM 0 HD11 ILE A 76 4.323 4.725 -8.255 1.00 0.00 H new ATOM 0 HD12 ILE A 76 3.447 6.263 -8.071 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.175 5.835 -9.638 1.00 0.00 H new ATOM 1126 N THR A 77 4.739 10.267 -10.748 1.00 0.00 N ATOM 1127 CA THR A 77 4.663 11.676 -11.098 1.00 0.00 C ATOM 1128 C THR A 77 3.481 12.307 -10.357 1.00 0.00 C ATOM 1129 O THR A 77 3.656 12.959 -9.328 1.00 0.00 O ATOM 1130 CB THR A 77 4.523 11.800 -12.626 1.00 0.00 C ATOM 1131 OG1 THR A 77 3.452 10.987 -13.076 1.00 0.00 O ATOM 1132 CG2 THR A 77 5.807 11.352 -13.332 1.00 0.00 C ATOM 0 H THR A 77 3.843 9.786 -10.830 1.00 0.00 H new ATOM 0 HA THR A 77 5.567 12.207 -10.799 1.00 0.00 H new ATOM 0 HB THR A 77 4.331 12.846 -12.863 1.00 0.00 H new ATOM 0 HG1 THR A 77 3.365 11.070 -14.049 1.00 0.00 H new ATOM 0 HG21 THR A 77 5.682 11.449 -14.410 1.00 0.00 H new ATOM 0 HG22 THR A 77 6.639 11.976 -13.005 1.00 0.00 H new ATOM 0 HG23 THR A 77 6.015 10.311 -13.083 1.00 0.00 H new ATOM 1140 N ALA A 78 2.269 12.085 -10.868 1.00 0.00 N ATOM 1141 CA ALA A 78 1.030 12.624 -10.324 1.00 0.00 C ATOM 1142 C ALA A 78 0.613 11.871 -9.057 1.00 0.00 C ATOM 1143 O ALA A 78 -0.436 11.232 -9.027 1.00 0.00 O ATOM 1144 CB ALA A 78 -0.054 12.550 -11.406 1.00 0.00 C ATOM 0 H ALA A 78 2.122 11.508 -11.696 1.00 0.00 H new ATOM 0 HA ALA A 78 1.177 13.665 -10.036 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -0.988 12.950 -11.013 1.00 0.00 H new ATOM 0 HB2 ALA A 78 0.256 13.135 -12.272 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.201 11.512 -11.703 1.00 0.00 H new ATOM 1150 N MET A 79 1.437 11.943 -8.008 1.00 0.00 N ATOM 1151 CA MET A 79 1.127 11.301 -6.738 1.00 0.00 C ATOM 1152 C MET A 79 -0.110 11.995 -6.122 1.00 0.00 C ATOM 1153 O MET A 79 -0.325 13.180 -6.380 1.00 0.00 O ATOM 1154 CB MET A 79 2.372 11.319 -5.831 1.00 0.00 C ATOM 1155 CG MET A 79 2.667 12.681 -5.200 1.00 0.00 C ATOM 1156 SD MET A 79 1.749 13.047 -3.684 1.00 0.00 S ATOM 1157 CE MET A 79 1.844 14.849 -3.736 1.00 0.00 C ATOM 0 H MET A 79 2.326 12.443 -8.019 1.00 0.00 H new ATOM 0 HA MET A 79 0.869 10.250 -6.872 1.00 0.00 H new ATOM 0 HB2 MET A 79 2.240 10.584 -5.037 1.00 0.00 H new ATOM 0 HB3 MET A 79 3.238 11.006 -6.415 1.00 0.00 H new ATOM 0 HG2 MET A 79 3.733 12.739 -4.982 1.00 0.00 H new ATOM 0 HG3 MET A 79 2.449 13.457 -5.933 1.00 0.00 H new ATOM 0 HE1 MET A 79 1.406 15.263 -2.828 1.00 0.00 H new ATOM 0 HE2 MET A 79 2.887 15.156 -3.808 1.00 0.00 H new ATOM 0 HE3 MET A 79 1.296 15.217 -4.603 1.00 0.00 H new ATOM 1167 N PRO A 80 -0.934 11.299 -5.319 1.00 0.00 N ATOM 1168 CA PRO A 80 -0.790 9.907 -4.946 1.00 0.00 C ATOM 1169 C PRO A 80 -1.093 9.013 -6.143 1.00 0.00 C ATOM 1170 O PRO A 80 -1.710 9.434 -7.123 1.00 0.00 O ATOM 1171 CB PRO A 80 -1.757 9.676 -3.788 1.00 0.00 C ATOM 1172 CG PRO A 80 -2.873 10.668 -4.094 1.00 0.00 C ATOM 1173 CD PRO A 80 -2.142 11.850 -4.735 1.00 0.00 C ATOM 0 HA PRO A 80 0.226 9.663 -4.636 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -2.122 8.649 -3.761 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -1.290 9.874 -2.823 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -3.614 10.241 -4.770 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -3.402 10.967 -3.189 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -2.761 12.327 -5.495 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -1.905 12.612 -3.993 1.00 0.00 H new ATOM 1181 N THR A 81 -0.591 7.785 -6.101 1.00 0.00 N ATOM 1182 CA THR A 81 -0.677 6.862 -7.211 1.00 0.00 C ATOM 1183 C THR A 81 -0.719 5.443 -6.657 1.00 0.00 C ATOM 1184 O THR A 81 0.027 5.108 -5.738 1.00 0.00 O ATOM 1185 CB THR A 81 0.522 7.142 -8.133 1.00 0.00 C ATOM 1186 OG1 THR A 81 0.334 8.363 -8.823 1.00 0.00 O ATOM 1187 CG2 THR A 81 0.752 6.055 -9.180 1.00 0.00 C ATOM 0 H THR A 81 -0.110 7.405 -5.286 1.00 0.00 H new ATOM 0 HA THR A 81 -1.583 6.986 -7.805 1.00 0.00 H new ATOM 0 HB THR A 81 1.392 7.178 -7.477 1.00 0.00 H new ATOM 0 HG1 THR A 81 1.104 8.532 -9.405 1.00 0.00 H new ATOM 0 HG21 THR A 81 1.613 6.318 -9.795 1.00 0.00 H new ATOM 0 HG22 THR A 81 0.939 5.104 -8.682 1.00 0.00 H new ATOM 0 HG23 THR A 81 -0.131 5.966 -9.812 1.00 0.00 H new ATOM 1195 N PHE A 82 -1.608 4.626 -7.220 1.00 0.00 N ATOM 1196 CA PHE A 82 -1.852 3.256 -6.821 1.00 0.00 C ATOM 1197 C PHE A 82 -1.415 2.346 -7.956 1.00 0.00 C ATOM 1198 O PHE A 82 -1.912 2.516 -9.066 1.00 0.00 O ATOM 1199 CB PHE A 82 -3.340 3.101 -6.495 1.00 0.00 C ATOM 1200 CG PHE A 82 -3.699 3.862 -5.234 1.00 0.00 C ATOM 1201 CD1 PHE A 82 -3.394 3.298 -3.982 1.00 0.00 C ATOM 1202 CD2 PHE A 82 -4.074 5.219 -5.314 1.00 0.00 C ATOM 1203 CE1 PHE A 82 -3.469 4.083 -2.820 1.00 0.00 C ATOM 1204 CE2 PHE A 82 -4.110 6.012 -4.154 1.00 0.00 C ATOM 1205 CZ PHE A 82 -3.785 5.449 -2.908 1.00 0.00 C ATOM 0 H PHE A 82 -2.198 4.921 -7.998 1.00 0.00 H new ATOM 0 HA PHE A 82 -1.285 2.985 -5.930 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -3.939 3.467 -7.329 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -3.581 2.045 -6.369 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -3.102 2.260 -3.914 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -4.334 5.650 -6.269 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -3.283 3.635 -1.855 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -4.387 7.054 -4.220 1.00 0.00 H new ATOM 0 HZ PHE A 82 -3.778 6.065 -2.021 1.00 0.00 H new ATOM 1215 N HIS A 83 -0.475 1.428 -7.706 1.00 0.00 N ATOM 1216 CA HIS A 83 0.015 0.466 -8.695 1.00 0.00 C ATOM 1217 C HIS A 83 -0.345 -0.942 -8.235 1.00 0.00 C ATOM 1218 O HIS A 83 -0.411 -1.166 -7.030 1.00 0.00 O ATOM 1219 CB HIS A 83 1.540 0.561 -8.816 1.00 0.00 C ATOM 1220 CG HIS A 83 2.074 1.767 -9.540 1.00 0.00 C ATOM 1221 ND1 HIS A 83 3.438 1.897 -9.789 1.00 0.00 N ATOM 1222 CD2 HIS A 83 1.427 2.851 -10.071 1.00 0.00 C ATOM 1223 CE1 HIS A 83 3.559 3.044 -10.460 1.00 0.00 C ATOM 1224 NE2 HIS A 83 2.381 3.649 -10.667 1.00 0.00 N ATOM 0 H HIS A 83 -0.027 1.332 -6.795 1.00 0.00 H new ATOM 0 HA HIS A 83 -0.441 0.686 -9.660 1.00 0.00 H new ATOM 0 HB2 HIS A 83 1.965 0.548 -7.812 1.00 0.00 H new ATOM 0 HB3 HIS A 83 1.900 -0.332 -9.326 1.00 0.00 H new ATOM 0 HD2 HIS A 83 0.365 3.045 -10.030 1.00 0.00 H new ATOM 0 HE1 HIS A 83 4.504 3.442 -10.800 1.00 0.00 H new ATOM 0 HE2 HIS A 83 2.222 4.524 -11.166 1.00 0.00 H new ATOM 1232 N VAL A 84 -0.559 -1.890 -9.155 1.00 0.00 N ATOM 1233 CA VAL A 84 -0.811 -3.284 -8.801 1.00 0.00 C ATOM 1234 C VAL A 84 0.280 -4.138 -9.443 1.00 0.00 C ATOM 1235 O VAL A 84 0.267 -4.323 -10.656 1.00 0.00 O ATOM 1236 CB VAL A 84 -2.204 -3.738 -9.256 1.00 0.00 C ATOM 1237 CG1 VAL A 84 -2.482 -5.107 -8.619 1.00 0.00 C ATOM 1238 CG2 VAL A 84 -3.282 -2.744 -8.806 1.00 0.00 C ATOM 0 H VAL A 84 -0.562 -1.710 -10.159 1.00 0.00 H new ATOM 0 HA VAL A 84 -0.787 -3.396 -7.717 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.230 -3.795 -10.344 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.468 -5.457 -8.925 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.726 -5.821 -8.946 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.450 -5.016 -7.533 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -4.259 -3.090 -9.142 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.277 -2.670 -7.719 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -3.076 -1.764 -9.237 1.00 0.00 H new ATOM 1248 N TYR A 85 1.224 -4.656 -8.653 1.00 0.00 N ATOM 1249 CA TYR A 85 2.345 -5.437 -9.164 1.00 0.00 C ATOM 1250 C TYR A 85 2.047 -6.944 -9.149 1.00 0.00 C ATOM 1251 O TYR A 85 2.338 -7.628 -8.171 1.00 0.00 O ATOM 1252 CB TYR A 85 3.611 -5.109 -8.353 1.00 0.00 C ATOM 1253 CG TYR A 85 4.412 -3.915 -8.835 1.00 0.00 C ATOM 1254 CD1 TYR A 85 3.876 -2.617 -8.742 1.00 0.00 C ATOM 1255 CD2 TYR A 85 5.746 -4.088 -9.253 1.00 0.00 C ATOM 1256 CE1 TYR A 85 4.661 -1.506 -9.094 1.00 0.00 C ATOM 1257 CE2 TYR A 85 6.511 -2.979 -9.652 1.00 0.00 C ATOM 1258 CZ TYR A 85 5.971 -1.685 -9.562 1.00 0.00 C ATOM 1259 OH TYR A 85 6.723 -0.602 -9.906 1.00 0.00 O ATOM 0 H TYR A 85 1.229 -4.543 -7.639 1.00 0.00 H new ATOM 0 HA TYR A 85 2.509 -5.164 -10.206 1.00 0.00 H new ATOM 0 HB2 TYR A 85 3.321 -4.934 -7.317 1.00 0.00 H new ATOM 0 HB3 TYR A 85 4.260 -5.985 -8.359 1.00 0.00 H new ATOM 0 HD1 TYR A 85 2.861 -2.475 -8.400 1.00 0.00 H new ATOM 0 HD2 TYR A 85 6.182 -5.076 -9.267 1.00 0.00 H new ATOM 0 HE1 TYR A 85 4.254 -0.510 -9.004 1.00 0.00 H new ATOM 0 HE2 TYR A 85 7.514 -3.121 -10.028 1.00 0.00 H new ATOM 0 HH TYR A 85 7.606 -0.900 -10.209 1.00 0.00 H new ATOM 1269 N LYS A 86 1.463 -7.469 -10.230 1.00 0.00 N ATOM 1270 CA LYS A 86 1.297 -8.912 -10.426 1.00 0.00 C ATOM 1271 C LYS A 86 2.539 -9.416 -11.171 1.00 0.00 C ATOM 1272 O LYS A 86 3.212 -8.615 -11.824 1.00 0.00 O ATOM 1273 CB LYS A 86 0.013 -9.201 -11.212 1.00 0.00 C ATOM 1274 CG LYS A 86 -1.202 -9.257 -10.279 1.00 0.00 C ATOM 1275 CD LYS A 86 -2.502 -9.199 -11.096 1.00 0.00 C ATOM 1276 CE LYS A 86 -3.701 -9.835 -10.379 1.00 0.00 C ATOM 1277 NZ LYS A 86 -3.728 -9.528 -8.940 1.00 0.00 N ATOM 0 H LYS A 86 1.092 -6.905 -10.994 1.00 0.00 H new ATOM 0 HA LYS A 86 1.202 -9.428 -9.471 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -0.138 -8.428 -11.965 1.00 0.00 H new ATOM 0 HB3 LYS A 86 0.113 -10.148 -11.742 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -1.175 -10.173 -9.690 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -1.168 -8.425 -9.576 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -2.734 -8.158 -11.323 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -2.347 -9.706 -12.048 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -4.624 -9.482 -10.839 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -3.670 -10.916 -10.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -4.714 -9.476 -8.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -3.230 -10.275 -8.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -3.259 -8.615 -8.771 1.00 0.00 H new ATOM 1291 N ASP A 87 2.862 -10.711 -11.052 1.00 0.00 N ATOM 1292 CA ASP A 87 4.014 -11.417 -11.622 1.00 0.00 C ATOM 1293 C ASP A 87 5.294 -10.954 -10.922 1.00 0.00 C ATOM 1294 O ASP A 87 6.022 -11.739 -10.320 1.00 0.00 O ATOM 1295 CB ASP A 87 4.094 -11.240 -13.149 1.00 0.00 C ATOM 1296 CG ASP A 87 2.852 -11.784 -13.848 1.00 0.00 C ATOM 1297 OD1 ASP A 87 2.854 -12.999 -14.140 1.00 0.00 O ATOM 1298 OD2 ASP A 87 1.928 -10.975 -14.084 1.00 0.00 O ATOM 0 H ASP A 87 2.274 -11.343 -10.509 1.00 0.00 H new ATOM 0 HA ASP A 87 3.892 -12.486 -11.448 1.00 0.00 H new ATOM 0 HB2 ASP A 87 4.211 -10.183 -13.387 1.00 0.00 H new ATOM 0 HB3 ASP A 87 4.978 -11.752 -13.528 1.00 0.00 H new ATOM 1303 N GLY A 88 5.552 -9.657 -11.033 1.00 0.00 N ATOM 1304 CA GLY A 88 6.635 -8.907 -10.430 1.00 0.00 C ATOM 1305 C GLY A 88 6.752 -7.531 -11.084 1.00 0.00 C ATOM 1306 O GLY A 88 7.845 -6.969 -11.113 1.00 0.00 O ATOM 0 H GLY A 88 4.953 -9.055 -11.598 1.00 0.00 H new ATOM 0 HA2 GLY A 88 6.458 -8.795 -9.360 1.00 0.00 H new ATOM 0 HA3 GLY A 88 7.572 -9.452 -10.543 1.00 0.00 H new ATOM 1310 N VAL A 89 5.652 -6.968 -11.608 1.00 0.00 N ATOM 1311 CA VAL A 89 5.690 -5.689 -12.298 1.00 0.00 C ATOM 1312 C VAL A 89 4.286 -5.084 -12.351 1.00 0.00 C ATOM 1313 O VAL A 89 3.302 -5.811 -12.463 1.00 0.00 O ATOM 1314 CB VAL A 89 6.275 -5.883 -13.714 1.00 0.00 C ATOM 1315 CG1 VAL A 89 5.455 -6.855 -14.575 1.00 0.00 C ATOM 1316 CG2 VAL A 89 6.423 -4.546 -14.451 1.00 0.00 C ATOM 0 H VAL A 89 4.724 -7.389 -11.561 1.00 0.00 H new ATOM 0 HA VAL A 89 6.333 -4.995 -11.756 1.00 0.00 H new ATOM 0 HB VAL A 89 7.261 -6.323 -13.564 1.00 0.00 H new ATOM 0 HG11 VAL A 89 5.917 -6.949 -15.558 1.00 0.00 H new ATOM 0 HG12 VAL A 89 5.426 -7.832 -14.093 1.00 0.00 H new ATOM 0 HG13 VAL A 89 4.440 -6.475 -14.686 1.00 0.00 H new ATOM 0 HG21 VAL A 89 6.837 -4.722 -15.444 1.00 0.00 H new ATOM 0 HG22 VAL A 89 5.446 -4.072 -14.544 1.00 0.00 H new ATOM 0 HG23 VAL A 89 7.091 -3.893 -13.889 1.00 0.00 H new ATOM 1326 N LYS A 90 4.209 -3.756 -12.225 1.00 0.00 N ATOM 1327 CA LYS A 90 3.016 -2.933 -12.380 1.00 0.00 C ATOM 1328 C LYS A 90 2.147 -3.423 -13.551 1.00 0.00 C ATOM 1329 O LYS A 90 2.391 -3.081 -14.706 1.00 0.00 O ATOM 1330 CB LYS A 90 3.487 -1.491 -12.626 1.00 0.00 C ATOM 1331 CG LYS A 90 2.336 -0.479 -12.675 1.00 0.00 C ATOM 1332 CD LYS A 90 2.856 0.903 -13.094 1.00 0.00 C ATOM 1333 CE LYS A 90 3.205 0.941 -14.585 1.00 0.00 C ATOM 1334 NZ LYS A 90 3.343 2.326 -15.066 1.00 0.00 N ATOM 0 H LYS A 90 5.031 -3.197 -11.998 1.00 0.00 H new ATOM 0 HA LYS A 90 2.400 -2.994 -11.483 1.00 0.00 H new ATOM 0 HB2 LYS A 90 4.182 -1.203 -11.837 1.00 0.00 H new ATOM 0 HB3 LYS A 90 4.038 -1.451 -13.566 1.00 0.00 H new ATOM 0 HG2 LYS A 90 1.576 -0.817 -13.379 1.00 0.00 H new ATOM 0 HG3 LYS A 90 1.859 -0.414 -11.697 1.00 0.00 H new ATOM 0 HD2 LYS A 90 2.101 1.659 -12.876 1.00 0.00 H new ATOM 0 HD3 LYS A 90 3.738 1.155 -12.506 1.00 0.00 H new ATOM 0 HE2 LYS A 90 4.135 0.399 -14.757 1.00 0.00 H new ATOM 0 HE3 LYS A 90 2.429 0.431 -15.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 3.579 2.320 -16.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 2.447 2.834 -14.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 4.100 2.804 -14.537 1.00 0.00 H new ATOM 1348 N ALA A 91 1.122 -4.216 -13.240 1.00 0.00 N ATOM 1349 CA ALA A 91 0.169 -4.774 -14.185 1.00 0.00 C ATOM 1350 C ALA A 91 -0.948 -3.775 -14.466 1.00 0.00 C ATOM 1351 O ALA A 91 -1.444 -3.694 -15.587 1.00 0.00 O ATOM 1352 CB ALA A 91 -0.408 -6.060 -13.590 1.00 0.00 C ATOM 0 H ALA A 91 0.929 -4.496 -12.278 1.00 0.00 H new ATOM 0 HA ALA A 91 0.670 -4.993 -15.128 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -1.126 -6.493 -14.286 1.00 0.00 H new ATOM 0 HB2 ALA A 91 0.398 -6.772 -13.411 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -0.908 -5.833 -12.648 1.00 0.00 H new ATOM 1358 N ASP A 92 -1.362 -3.045 -13.429 1.00 0.00 N ATOM 1359 CA ASP A 92 -2.398 -2.023 -13.492 1.00 0.00 C ATOM 1360 C ASP A 92 -1.933 -0.849 -12.634 1.00 0.00 C ATOM 1361 O ASP A 92 -1.025 -1.020 -11.814 1.00 0.00 O ATOM 1362 CB ASP A 92 -3.725 -2.606 -12.989 1.00 0.00 C ATOM 1363 CG ASP A 92 -4.953 -1.790 -13.393 1.00 0.00 C ATOM 1364 OD1 ASP A 92 -4.776 -0.671 -13.919 1.00 0.00 O ATOM 1365 OD2 ASP A 92 -6.065 -2.315 -13.162 1.00 0.00 O ATOM 0 H ASP A 92 -0.970 -3.156 -12.494 1.00 0.00 H new ATOM 0 HA ASP A 92 -2.563 -1.681 -14.514 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -3.833 -3.621 -13.372 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -3.690 -2.678 -11.902 1.00 0.00 H new ATOM 1370 N ASP A 93 -2.537 0.329 -12.803 1.00 0.00 N ATOM 1371 CA ASP A 93 -2.199 1.518 -12.052 1.00 0.00 C ATOM 1372 C ASP A 93 -3.341 2.520 -12.117 1.00 0.00 C ATOM 1373 O ASP A 93 -4.295 2.351 -12.873 1.00 0.00 O ATOM 1374 CB ASP A 93 -0.885 2.142 -12.535 1.00 0.00 C ATOM 1375 CG ASP A 93 -0.867 2.461 -14.023 1.00 0.00 C ATOM 1376 OD1 ASP A 93 -1.507 3.469 -14.394 1.00 0.00 O ATOM 1377 OD2 ASP A 93 -0.179 1.716 -14.755 1.00 0.00 O ATOM 0 H ASP A 93 -3.286 0.476 -13.480 1.00 0.00 H new ATOM 0 HA ASP A 93 -2.048 1.229 -11.012 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -0.701 3.058 -11.974 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -0.065 1.460 -12.309 1.00 0.00 H new ATOM 1382 N LEU A 94 -3.229 3.552 -11.285 1.00 0.00 N ATOM 1383 CA LEU A 94 -4.237 4.573 -11.072 1.00 0.00 C ATOM 1384 C LEU A 94 -3.564 5.763 -10.389 1.00 0.00 C ATOM 1385 O LEU A 94 -2.606 5.562 -9.646 1.00 0.00 O ATOM 1386 CB LEU A 94 -5.308 3.924 -10.190 1.00 0.00 C ATOM 1387 CG LEU A 94 -6.295 4.871 -9.496 1.00 0.00 C ATOM 1388 CD1 LEU A 94 -7.215 5.487 -10.551 1.00 0.00 C ATOM 1389 CD2 LEU A 94 -7.099 4.062 -8.473 1.00 0.00 C ATOM 0 H LEU A 94 -2.394 3.701 -10.718 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.695 4.939 -11.991 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.879 3.228 -10.805 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -4.806 3.334 -9.423 1.00 0.00 H new ATOM 0 HG LEU A 94 -5.771 5.677 -8.981 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.921 6.162 -10.068 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -6.618 6.043 -11.274 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -7.762 4.696 -11.063 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -7.808 4.717 -7.967 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -7.641 3.266 -8.984 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.421 3.626 -7.739 1.00 0.00 H new ATOM 1401 N VAL A 95 -4.052 6.987 -10.615 1.00 0.00 N ATOM 1402 CA VAL A 95 -3.503 8.212 -10.048 1.00 0.00 C ATOM 1403 C VAL A 95 -4.585 8.994 -9.296 1.00 0.00 C ATOM 1404 O VAL A 95 -5.780 8.758 -9.491 1.00 0.00 O ATOM 1405 CB VAL A 95 -2.870 9.066 -11.163 1.00 0.00 C ATOM 1406 CG1 VAL A 95 -1.709 8.320 -11.835 1.00 0.00 C ATOM 1407 CG2 VAL A 95 -3.883 9.494 -12.235 1.00 0.00 C ATOM 0 H VAL A 95 -4.861 7.152 -11.214 1.00 0.00 H new ATOM 0 HA VAL A 95 -2.726 7.953 -9.329 1.00 0.00 H new ATOM 0 HB VAL A 95 -2.498 9.967 -10.675 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.280 8.945 -12.618 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -0.944 8.093 -11.092 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -2.077 7.392 -12.272 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -3.379 10.093 -12.994 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -4.316 8.609 -12.700 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -4.674 10.085 -11.773 1.00 0.00 H new ATOM 1417 N GLY A 96 -4.154 9.931 -8.445 1.00 0.00 N ATOM 1418 CA GLY A 96 -5.034 10.820 -7.702 1.00 0.00 C ATOM 1419 C GLY A 96 -5.711 10.124 -6.524 1.00 0.00 C ATOM 1420 O GLY A 96 -5.572 8.916 -6.323 1.00 0.00 O ATOM 0 H GLY A 96 -3.165 10.090 -8.254 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -4.460 11.671 -7.336 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -5.797 11.215 -8.373 1.00 0.00 H new ATOM 1424 N ALA A 97 -6.482 10.886 -5.739 1.00 0.00 N ATOM 1425 CA ALA A 97 -7.196 10.398 -4.559 1.00 0.00 C ATOM 1426 C ALA A 97 -8.467 9.630 -4.946 1.00 0.00 C ATOM 1427 O ALA A 97 -9.503 9.745 -4.285 1.00 0.00 O ATOM 1428 CB ALA A 97 -7.536 11.600 -3.669 1.00 0.00 C ATOM 0 H ALA A 97 -6.628 11.880 -5.913 1.00 0.00 H new ATOM 0 HA ALA A 97 -6.559 9.699 -4.017 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -8.069 11.257 -2.783 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -6.616 12.101 -3.368 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -8.164 12.297 -4.223 1.00 0.00 H new ATOM 1434 N SER A 98 -8.375 8.814 -5.994 1.00 0.00 N ATOM 1435 CA SER A 98 -9.456 8.059 -6.601 1.00 0.00 C ATOM 1436 C SER A 98 -9.795 6.825 -5.759 1.00 0.00 C ATOM 1437 O SER A 98 -9.740 5.700 -6.245 1.00 0.00 O ATOM 1438 CB SER A 98 -8.984 7.686 -8.010 1.00 0.00 C ATOM 1439 OG SER A 98 -8.449 8.832 -8.656 1.00 0.00 O ATOM 0 H SER A 98 -7.485 8.656 -6.468 1.00 0.00 H new ATOM 0 HA SER A 98 -10.375 8.643 -6.654 1.00 0.00 H new ATOM 0 HB2 SER A 98 -8.229 6.902 -7.955 1.00 0.00 H new ATOM 0 HB3 SER A 98 -9.817 7.286 -8.589 1.00 0.00 H new ATOM 0 HG SER A 98 -7.507 8.674 -8.876 1.00 0.00 H new ATOM 1445 N GLN A 99 -10.149 7.045 -4.492 1.00 0.00 N ATOM 1446 CA GLN A 99 -10.453 6.024 -3.494 1.00 0.00 C ATOM 1447 C GLN A 99 -11.468 4.996 -4.007 1.00 0.00 C ATOM 1448 O GLN A 99 -11.312 3.798 -3.781 1.00 0.00 O ATOM 1449 CB GLN A 99 -10.953 6.740 -2.235 1.00 0.00 C ATOM 1450 CG GLN A 99 -9.789 7.477 -1.554 1.00 0.00 C ATOM 1451 CD GLN A 99 -10.259 8.737 -0.841 1.00 0.00 C ATOM 1452 OE1 GLN A 99 -10.508 8.723 0.358 1.00 0.00 O ATOM 1453 NE2 GLN A 99 -10.379 9.843 -1.569 1.00 0.00 N ATOM 0 H GLN A 99 -10.235 7.990 -4.117 1.00 0.00 H new ATOM 0 HA GLN A 99 -9.553 5.452 -3.267 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -11.739 7.448 -2.497 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -11.391 6.018 -1.545 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -9.307 6.812 -0.837 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -9.039 7.740 -2.300 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -10.164 9.823 -2.566 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -10.686 10.711 -1.131 1.00 0.00 H new ATOM 1462 N ASP A 100 -12.505 5.455 -4.704 1.00 0.00 N ATOM 1463 CA ASP A 100 -13.510 4.592 -5.311 1.00 0.00 C ATOM 1464 C ASP A 100 -12.841 3.609 -6.277 1.00 0.00 C ATOM 1465 O ASP A 100 -13.070 2.400 -6.230 1.00 0.00 O ATOM 1466 CB ASP A 100 -14.554 5.460 -6.038 1.00 0.00 C ATOM 1467 CG ASP A 100 -13.980 6.261 -7.208 1.00 0.00 C ATOM 1468 OD1 ASP A 100 -12.888 6.847 -7.022 1.00 0.00 O ATOM 1469 OD2 ASP A 100 -14.626 6.250 -8.277 1.00 0.00 O ATOM 0 H ASP A 100 -12.671 6.449 -4.864 1.00 0.00 H new ATOM 0 HA ASP A 100 -14.015 4.013 -4.538 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -15.354 4.818 -6.406 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -15.002 6.149 -5.322 1.00 0.00 H new ATOM 1474 N LYS A 101 -11.980 4.130 -7.149 1.00 0.00 N ATOM 1475 CA LYS A 101 -11.286 3.325 -8.133 1.00 0.00 C ATOM 1476 C LYS A 101 -10.201 2.490 -7.437 1.00 0.00 C ATOM 1477 O LYS A 101 -9.867 1.408 -7.910 1.00 0.00 O ATOM 1478 CB LYS A 101 -10.785 4.241 -9.256 1.00 0.00 C ATOM 1479 CG LYS A 101 -10.527 3.465 -10.555 1.00 0.00 C ATOM 1480 CD LYS A 101 -10.541 4.368 -11.803 1.00 0.00 C ATOM 1481 CE LYS A 101 -11.898 5.019 -12.116 1.00 0.00 C ATOM 1482 NZ LYS A 101 -13.002 4.043 -12.141 1.00 0.00 N ATOM 0 H LYS A 101 -11.749 5.123 -7.187 1.00 0.00 H new ATOM 0 HA LYS A 101 -11.945 2.600 -8.609 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -11.520 5.024 -9.441 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -9.866 4.735 -8.939 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -9.562 2.962 -10.487 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -11.284 2.689 -10.665 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -9.798 5.155 -11.672 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -10.231 3.777 -12.665 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -12.111 5.784 -11.369 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -11.841 5.523 -13.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -13.871 4.510 -12.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -12.761 3.263 -12.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -13.154 3.666 -11.184 1.00 0.00 H new ATOM 1496 N LEU A 102 -9.675 2.956 -6.298 1.00 0.00 N ATOM 1497 CA LEU A 102 -8.743 2.194 -5.478 1.00 0.00 C ATOM 1498 C LEU A 102 -9.463 0.909 -5.054 1.00 0.00 C ATOM 1499 O LEU A 102 -8.979 -0.192 -5.309 1.00 0.00 O ATOM 1500 CB LEU A 102 -8.309 3.015 -4.248 1.00 0.00 C ATOM 1501 CG LEU A 102 -6.909 2.711 -3.705 1.00 0.00 C ATOM 1502 CD1 LEU A 102 -6.763 3.449 -2.368 1.00 0.00 C ATOM 1503 CD2 LEU A 102 -6.615 1.223 -3.510 1.00 0.00 C ATOM 0 H LEU A 102 -9.890 3.880 -5.922 1.00 0.00 H new ATOM 0 HA LEU A 102 -7.838 1.956 -6.037 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -8.357 4.073 -4.505 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -9.032 2.848 -3.450 1.00 0.00 H new ATOM 0 HG LEU A 102 -6.187 3.049 -4.448 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -5.775 3.255 -1.951 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -6.885 4.520 -2.529 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -7.526 3.097 -1.673 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -5.603 1.100 -3.123 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -7.328 0.801 -2.802 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -6.703 0.706 -4.466 1.00 0.00 H new ATOM 1515 N LYS A 103 -10.645 1.045 -4.440 1.00 0.00 N ATOM 1516 CA LYS A 103 -11.455 -0.094 -4.034 1.00 0.00 C ATOM 1517 C LYS A 103 -11.675 -1.017 -5.234 1.00 0.00 C ATOM 1518 O LYS A 103 -11.474 -2.227 -5.127 1.00 0.00 O ATOM 1519 CB LYS A 103 -12.795 0.397 -3.473 1.00 0.00 C ATOM 1520 CG LYS A 103 -12.637 1.156 -2.153 1.00 0.00 C ATOM 1521 CD LYS A 103 -13.973 1.809 -1.771 1.00 0.00 C ATOM 1522 CE LYS A 103 -13.878 2.630 -0.480 1.00 0.00 C ATOM 1523 NZ LYS A 103 -12.932 3.752 -0.609 1.00 0.00 N ATOM 0 H LYS A 103 -11.060 1.949 -4.214 1.00 0.00 H new ATOM 0 HA LYS A 103 -10.939 -0.653 -3.253 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -13.276 1.045 -4.205 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -13.456 -0.456 -3.320 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -12.316 0.474 -1.366 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -11.863 1.917 -2.250 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -14.304 2.455 -2.585 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -14.731 1.035 -1.650 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -14.864 3.015 -0.222 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -13.564 1.983 0.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -13.033 4.387 0.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -11.960 3.384 -0.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -13.135 4.278 -1.483 1.00 0.00 H new ATOM 1537 N ALA A 104 -12.065 -0.437 -6.377 1.00 0.00 N ATOM 1538 CA ALA A 104 -12.273 -1.200 -7.601 1.00 0.00 C ATOM 1539 C ALA A 104 -11.016 -2.001 -7.960 1.00 0.00 C ATOM 1540 O ALA A 104 -11.130 -3.184 -8.275 1.00 0.00 O ATOM 1541 CB ALA A 104 -12.681 -0.273 -8.749 1.00 0.00 C ATOM 0 H ALA A 104 -12.242 0.563 -6.473 1.00 0.00 H new ATOM 0 HA ALA A 104 -13.085 -1.908 -7.433 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -12.832 -0.860 -9.655 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -13.607 0.240 -8.491 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -11.895 0.462 -8.920 1.00 0.00 H new ATOM 1547 N LEU A 105 -9.826 -1.384 -7.913 1.00 0.00 N ATOM 1548 CA LEU A 105 -8.579 -2.088 -8.193 1.00 0.00 C ATOM 1549 C LEU A 105 -8.443 -3.282 -7.258 1.00 0.00 C ATOM 1550 O LEU A 105 -8.238 -4.398 -7.730 1.00 0.00 O ATOM 1551 CB LEU A 105 -7.335 -1.203 -7.996 1.00 0.00 C ATOM 1552 CG LEU A 105 -7.024 -0.186 -9.099 1.00 0.00 C ATOM 1553 CD1 LEU A 105 -5.836 0.652 -8.624 1.00 0.00 C ATOM 1554 CD2 LEU A 105 -6.616 -0.858 -10.413 1.00 0.00 C ATOM 0 H LEU A 105 -9.708 -0.397 -7.683 1.00 0.00 H new ATOM 0 HA LEU A 105 -8.627 -2.394 -9.238 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -7.450 -0.661 -7.058 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -6.469 -1.856 -7.883 1.00 0.00 H new ATOM 0 HG LEU A 105 -7.921 0.406 -9.283 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -5.584 1.390 -9.385 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -6.098 1.162 -7.697 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -4.978 0.002 -8.451 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -6.406 -0.095 -11.162 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -5.723 -1.462 -10.251 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -7.428 -1.496 -10.763 1.00 0.00 H new ATOM 1566 N VAL A 106 -8.529 -3.063 -5.940 1.00 0.00 N ATOM 1567 CA VAL A 106 -8.328 -4.173 -5.015 1.00 0.00 C ATOM 1568 C VAL A 106 -9.328 -5.289 -5.321 1.00 0.00 C ATOM 1569 O VAL A 106 -8.937 -6.448 -5.427 1.00 0.00 O ATOM 1570 CB VAL A 106 -8.387 -3.736 -3.539 1.00 0.00 C ATOM 1571 CG1 VAL A 106 -7.773 -4.863 -2.697 1.00 0.00 C ATOM 1572 CG2 VAL A 106 -7.566 -2.474 -3.251 1.00 0.00 C ATOM 0 H VAL A 106 -8.729 -2.161 -5.507 1.00 0.00 H new ATOM 0 HA VAL A 106 -7.319 -4.556 -5.166 1.00 0.00 H new ATOM 0 HB VAL A 106 -9.430 -3.528 -3.302 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -7.799 -4.585 -1.643 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -8.344 -5.780 -2.845 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -6.740 -5.025 -3.004 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -7.649 -2.219 -2.195 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -6.520 -2.656 -3.499 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -7.944 -1.649 -3.854 1.00 0.00 H new ATOM 1582 N ALA A 107 -10.601 -4.942 -5.509 1.00 0.00 N ATOM 1583 CA ALA A 107 -11.643 -5.914 -5.820 1.00 0.00 C ATOM 1584 C ALA A 107 -11.280 -6.717 -7.076 1.00 0.00 C ATOM 1585 O ALA A 107 -11.258 -7.944 -7.045 1.00 0.00 O ATOM 1586 CB ALA A 107 -12.982 -5.190 -5.998 1.00 0.00 C ATOM 0 H ALA A 107 -10.936 -3.980 -5.450 1.00 0.00 H new ATOM 0 HA ALA A 107 -11.732 -6.619 -4.993 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -13.760 -5.917 -6.230 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -13.238 -4.666 -5.077 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -12.901 -4.471 -6.814 1.00 0.00 H new ATOM 1592 N LYS A 108 -10.994 -6.018 -8.177 1.00 0.00 N ATOM 1593 CA LYS A 108 -10.626 -6.608 -9.457 1.00 0.00 C ATOM 1594 C LYS A 108 -9.437 -7.551 -9.313 1.00 0.00 C ATOM 1595 O LYS A 108 -9.490 -8.708 -9.722 1.00 0.00 O ATOM 1596 CB LYS A 108 -10.306 -5.459 -10.439 1.00 0.00 C ATOM 1597 CG LYS A 108 -9.491 -5.854 -11.685 1.00 0.00 C ATOM 1598 CD LYS A 108 -9.197 -4.650 -12.591 1.00 0.00 C ATOM 1599 CE LYS A 108 -10.452 -4.095 -13.276 1.00 0.00 C ATOM 1600 NZ LYS A 108 -10.102 -3.041 -14.244 1.00 0.00 N ATOM 0 H LYS A 108 -11.014 -4.998 -8.199 1.00 0.00 H new ATOM 0 HA LYS A 108 -11.454 -7.206 -9.838 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -11.245 -5.014 -10.768 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -9.759 -4.686 -9.899 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -8.551 -6.310 -11.373 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -10.038 -6.608 -12.251 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -8.734 -3.861 -11.998 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -8.474 -4.943 -13.352 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -10.979 -4.901 -13.786 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -11.133 -3.693 -12.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -10.968 -2.682 -14.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -9.620 -2.263 -13.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -9.471 -3.434 -14.972 1.00 0.00 H new ATOM 1614 N HIS A 109 -8.341 -7.030 -8.774 1.00 0.00 N ATOM 1615 CA HIS A 109 -7.091 -7.760 -8.729 1.00 0.00 C ATOM 1616 C HIS A 109 -7.107 -8.866 -7.674 1.00 0.00 C ATOM 1617 O HIS A 109 -6.448 -9.884 -7.870 1.00 0.00 O ATOM 1618 CB HIS A 109 -5.953 -6.749 -8.597 1.00 0.00 C ATOM 1619 CG HIS A 109 -5.807 -5.973 -9.882 1.00 0.00 C ATOM 1620 ND1 HIS A 109 -5.263 -6.566 -11.023 1.00 0.00 N ATOM 1621 CD2 HIS A 109 -6.214 -4.705 -10.201 1.00 0.00 C ATOM 1622 CE1 HIS A 109 -5.380 -5.641 -11.980 1.00 0.00 C ATOM 1623 NE2 HIS A 109 -5.944 -4.511 -11.535 1.00 0.00 N ATOM 0 H HIS A 109 -8.299 -6.098 -8.361 1.00 0.00 H new ATOM 0 HA HIS A 109 -6.931 -8.310 -9.656 1.00 0.00 H new ATOM 0 HB2 HIS A 109 -6.154 -6.067 -7.771 1.00 0.00 H new ATOM 0 HB3 HIS A 109 -5.021 -7.265 -8.365 1.00 0.00 H new ATOM 0 HD2 HIS A 109 -6.664 -3.989 -9.529 1.00 0.00 H new ATOM 0 HE1 HIS A 109 -5.056 -5.788 -13.000 1.00 0.00 H new ATOM 0 HE2 HIS A 109 -6.136 -3.670 -12.080 1.00 0.00 H new ATOM 1631 N ALA A 110 -7.884 -8.737 -6.594 1.00 0.00 N ATOM 1632 CA ALA A 110 -8.014 -9.792 -5.589 1.00 0.00 C ATOM 1633 C ALA A 110 -9.062 -10.828 -6.017 1.00 0.00 C ATOM 1634 O ALA A 110 -9.858 -11.283 -5.198 1.00 0.00 O ATOM 1635 CB ALA A 110 -8.379 -9.166 -4.237 1.00 0.00 C ATOM 0 H ALA A 110 -8.437 -7.903 -6.394 1.00 0.00 H new ATOM 0 HA ALA A 110 -7.061 -10.312 -5.492 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -8.476 -9.951 -3.487 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -7.596 -8.470 -3.935 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -9.324 -8.631 -4.327 1.00 0.00 H new ATOM 1641 N ALA A 111 -9.068 -11.210 -7.298 1.00 0.00 N ATOM 1642 CA ALA A 111 -10.004 -12.191 -7.832 1.00 0.00 C ATOM 1643 C ALA A 111 -9.799 -13.578 -7.215 1.00 0.00 C ATOM 1644 O ALA A 111 -10.755 -14.338 -7.074 1.00 0.00 O ATOM 1645 CB ALA A 111 -9.845 -12.262 -9.352 1.00 0.00 C ATOM 0 H ALA A 111 -8.418 -10.842 -7.993 1.00 0.00 H new ATOM 0 HA ALA A 111 -11.014 -11.871 -7.575 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -10.543 -12.995 -9.757 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -10.053 -11.284 -9.786 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -8.825 -12.558 -9.598 1.00 0.00 H new