USER MOD reduce.3.24.130724 H: found=0, std=0, add=768, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 768 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 20 GLN : amide:sc= -0.312 X(o=-0.31,f=-0.026) USER MOD Set 1.2: A 90 TYR OH : rot 180:sc= 0.00151 USER MOD Set 2.1: A 14 HIS : no HE2:sc= -6.78! C(o=-7.1!,f=-11!) USER MOD Set 2.2: A 49 SER OG : rot 86:sc= -0.333 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ -143:sc= 0.535 (180deg=-0.0704) USER MOD Single : A 11 LYS NZ :NH3+ -161:sc= -0.41 (180deg=-0.426) USER MOD Single : A 12 CYS SG : rot 160:sc= -10.2! USER MOD Single : A 13 SER OG : rot 64:sc= 0.813 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0135) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 161:sc= 0.0437 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 161:sc= -0.0138 (180deg=-0.175) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -166:sc= -0.0186 (180deg=-0.17) USER MOD Single : A 44 SER OG : rot -151:sc= -7.27! USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot -109:sc= 1.07 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 MET CE :methyl -156:sc= -4.09 (180deg=-4.52!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 SER OG : rot -74:sc= -6.73! USER MOD Single : A 85 LYS NZ :NH3+ 172:sc= 0.0127 (180deg=0.0064) USER MOD Single : A 86 SER OG : rot 130:sc= -0.801 USER MOD Single : A 91 HIS : no HE2:sc= -11.8! C(o=-12!,f=-13!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.918 18.612 10.474 1.00 0.00 N ATOM 2 CA GLY A 1 14.215 18.098 10.995 1.00 0.00 C ATOM 3 C GLY A 1 15.148 17.646 9.887 1.00 0.00 C ATOM 4 O GLY A 1 15.931 18.443 9.370 1.00 0.00 O ATOM 0 H1 GLY A 1 12.317 18.908 11.270 1.00 0.00 H new ATOM 0 H2 GLY A 1 13.092 19.426 9.851 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.438 17.862 9.937 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.702 18.878 11.580 1.00 0.00 H new ATOM 0 HA3 GLY A 1 14.027 17.263 11.670 1.00 0.00 H new ATOM 10 N PRO A 2 15.090 16.360 9.498 1.00 0.00 N ATOM 11 CA PRO A 2 15.945 15.817 8.438 1.00 0.00 C ATOM 12 C PRO A 2 15.879 16.645 7.160 1.00 0.00 C ATOM 13 O PRO A 2 14.969 17.456 6.979 1.00 0.00 O ATOM 14 CB PRO A 2 15.370 14.418 8.199 1.00 0.00 C ATOM 15 CG PRO A 2 14.714 14.054 9.485 1.00 0.00 C ATOM 16 CD PRO A 2 14.186 15.340 10.059 1.00 0.00 C ATOM 0 HA PRO A 2 16.997 15.817 8.723 1.00 0.00 H new ATOM 0 HB2 PRO A 2 14.655 14.419 7.376 1.00 0.00 H new ATOM 0 HB3 PRO A 2 16.154 13.707 7.939 1.00 0.00 H new ATOM 0 HG2 PRO A 2 13.908 13.339 9.323 1.00 0.00 H new ATOM 0 HG3 PRO A 2 15.424 13.585 10.166 1.00 0.00 H new ATOM 0 HD2 PRO A 2 13.151 15.516 9.766 1.00 0.00 H new ATOM 0 HD3 PRO A 2 14.213 15.335 11.149 1.00 0.00 H new ATOM 24 N MET A 3 16.848 16.437 6.274 1.00 0.00 N ATOM 25 CA MET A 3 16.900 17.166 5.011 1.00 0.00 C ATOM 26 C MET A 3 17.341 16.250 3.873 1.00 0.00 C ATOM 27 O MET A 3 18.482 15.792 3.840 1.00 0.00 O ATOM 28 CB MET A 3 17.854 18.357 5.125 1.00 0.00 C ATOM 29 CG MET A 3 17.253 19.666 4.636 1.00 0.00 C ATOM 30 SD MET A 3 17.957 21.104 5.464 1.00 0.00 S ATOM 31 CE MET A 3 17.362 22.424 4.409 1.00 0.00 C ATOM 0 H MET A 3 17.608 15.770 6.407 1.00 0.00 H new ATOM 0 HA MET A 3 15.898 17.533 4.789 1.00 0.00 H new ATOM 0 HB2 MET A 3 18.156 18.472 6.166 1.00 0.00 H new ATOM 0 HB3 MET A 3 18.757 18.145 4.553 1.00 0.00 H new ATOM 0 HG2 MET A 3 17.413 19.756 3.561 1.00 0.00 H new ATOM 0 HG3 MET A 3 16.175 19.650 4.798 1.00 0.00 H new ATOM 0 HE1 MET A 3 17.715 23.382 4.791 1.00 0.00 H new ATOM 0 HE2 MET A 3 17.736 22.277 3.396 1.00 0.00 H new ATOM 0 HE3 MET A 3 16.272 22.417 4.397 1.00 0.00 H new ATOM 41 N GLY A 4 16.427 15.986 2.944 1.00 0.00 N ATOM 42 CA GLY A 4 16.742 15.126 1.819 1.00 0.00 C ATOM 43 C GLY A 4 16.090 13.762 1.931 1.00 0.00 C ATOM 44 O GLY A 4 16.697 12.746 1.594 1.00 0.00 O ATOM 0 H GLY A 4 15.475 16.352 2.951 1.00 0.00 H new ATOM 0 HA2 GLY A 4 16.416 15.606 0.896 1.00 0.00 H new ATOM 0 HA3 GLY A 4 17.823 15.004 1.750 1.00 0.00 H new ATOM 48 N SER A 5 14.847 13.739 2.405 1.00 0.00 N ATOM 49 CA SER A 5 14.113 12.489 2.560 1.00 0.00 C ATOM 50 C SER A 5 13.789 11.878 1.202 1.00 0.00 C ATOM 51 O SER A 5 13.284 12.558 0.307 1.00 0.00 O ATOM 52 CB SER A 5 12.821 12.727 3.346 1.00 0.00 C ATOM 53 OG SER A 5 13.025 12.520 4.734 1.00 0.00 O ATOM 0 H SER A 5 14.329 14.571 2.688 1.00 0.00 H new ATOM 0 HA SER A 5 14.743 11.792 3.112 1.00 0.00 H new ATOM 0 HB2 SER A 5 12.469 13.744 3.174 1.00 0.00 H new ATOM 0 HB3 SER A 5 12.042 12.055 2.985 1.00 0.00 H new ATOM 0 HG SER A 5 12.186 12.680 5.215 1.00 0.00 H new ATOM 59 N MET A 6 14.081 10.591 1.053 1.00 0.00 N ATOM 60 CA MET A 6 13.822 9.887 -0.199 1.00 0.00 C ATOM 61 C MET A 6 12.692 8.872 -0.036 1.00 0.00 C ATOM 62 O MET A 6 12.049 8.486 -1.012 1.00 0.00 O ATOM 63 CB MET A 6 15.092 9.185 -0.685 1.00 0.00 C ATOM 64 CG MET A 6 15.518 9.603 -2.084 1.00 0.00 C ATOM 65 SD MET A 6 17.308 9.722 -2.259 1.00 0.00 S ATOM 66 CE MET A 6 17.484 9.581 -4.036 1.00 0.00 C ATOM 0 H MET A 6 14.497 10.013 1.783 1.00 0.00 H new ATOM 0 HA MET A 6 13.515 10.623 -0.942 1.00 0.00 H new ATOM 0 HB2 MET A 6 15.903 9.396 0.012 1.00 0.00 H new ATOM 0 HB3 MET A 6 14.931 8.107 -0.670 1.00 0.00 H new ATOM 0 HG2 MET A 6 15.133 8.883 -2.807 1.00 0.00 H new ATOM 0 HG3 MET A 6 15.069 10.567 -2.324 1.00 0.00 H new ATOM 0 HE1 MET A 6 18.539 9.637 -4.303 1.00 0.00 H new ATOM 0 HE2 MET A 6 17.076 8.626 -4.367 1.00 0.00 H new ATOM 0 HE3 MET A 6 16.944 10.394 -4.521 1.00 0.00 H new ATOM 76 N ALA A 7 12.454 8.443 1.200 1.00 0.00 N ATOM 77 CA ALA A 7 11.401 7.473 1.481 1.00 0.00 C ATOM 78 C ALA A 7 10.116 8.166 1.926 1.00 0.00 C ATOM 79 O ALA A 7 9.318 7.593 2.667 1.00 0.00 O ATOM 80 CB ALA A 7 11.861 6.483 2.540 1.00 0.00 C ATOM 0 H ALA A 7 12.975 8.751 2.021 1.00 0.00 H new ATOM 0 HA ALA A 7 11.190 6.931 0.559 1.00 0.00 H new ATOM 0 HB1 ALA A 7 11.064 5.766 2.738 1.00 0.00 H new ATOM 0 HB2 ALA A 7 12.745 5.954 2.184 1.00 0.00 H new ATOM 0 HB3 ALA A 7 12.104 7.019 3.458 1.00 0.00 H new ATOM 86 N ASP A 8 9.918 9.397 1.463 1.00 0.00 N ATOM 87 CA ASP A 8 8.723 10.160 1.811 1.00 0.00 C ATOM 88 C ASP A 8 7.459 9.386 1.440 1.00 0.00 C ATOM 89 O ASP A 8 6.386 9.626 1.993 1.00 0.00 O ATOM 90 CB ASP A 8 8.738 11.518 1.104 1.00 0.00 C ATOM 91 CG ASP A 8 7.517 12.357 1.429 1.00 0.00 C ATOM 92 OD1 ASP A 8 7.206 12.512 2.629 1.00 0.00 O ATOM 93 OD2 ASP A 8 6.872 12.857 0.485 1.00 0.00 O ATOM 0 H ASP A 8 10.568 9.887 0.848 1.00 0.00 H new ATOM 0 HA ASP A 8 8.722 10.323 2.889 1.00 0.00 H new ATOM 0 HB2 ASP A 8 9.637 12.064 1.392 1.00 0.00 H new ATOM 0 HB3 ASP A 8 8.791 11.362 0.027 1.00 0.00 H new ATOM 98 N LYS A 9 7.596 8.463 0.491 1.00 0.00 N ATOM 99 CA LYS A 9 6.486 7.658 0.030 1.00 0.00 C ATOM 100 C LYS A 9 6.271 6.456 0.932 1.00 0.00 C ATOM 101 O LYS A 9 7.131 6.101 1.737 1.00 0.00 O ATOM 102 CB LYS A 9 6.777 7.173 -1.387 1.00 0.00 C ATOM 103 CG LYS A 9 6.532 8.209 -2.468 1.00 0.00 C ATOM 104 CD LYS A 9 7.322 9.480 -2.219 1.00 0.00 C ATOM 105 CE LYS A 9 6.519 10.474 -1.403 1.00 0.00 C ATOM 106 NZ LYS A 9 6.363 11.777 -2.108 1.00 0.00 N ATOM 0 H LYS A 9 8.480 8.258 0.026 1.00 0.00 H new ATOM 0 HA LYS A 9 5.584 8.269 0.048 1.00 0.00 H new ATOM 0 HB2 LYS A 9 7.816 6.849 -1.441 1.00 0.00 H new ATOM 0 HB3 LYS A 9 6.159 6.299 -1.592 1.00 0.00 H new ATOM 0 HG2 LYS A 9 6.807 7.794 -3.438 1.00 0.00 H new ATOM 0 HG3 LYS A 9 5.469 8.445 -2.512 1.00 0.00 H new ATOM 0 HD2 LYS A 9 8.247 9.239 -1.696 1.00 0.00 H new ATOM 0 HD3 LYS A 9 7.602 9.930 -3.172 1.00 0.00 H new ATOM 0 HE2 LYS A 9 5.535 10.057 -1.190 1.00 0.00 H new ATOM 0 HE3 LYS A 9 7.011 10.637 -0.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 6.410 12.553 -1.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 7.126 11.888 -2.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 5.444 11.801 -2.594 1.00 0.00 H new ATOM 120 N ILE A 10 5.120 5.821 0.770 1.00 0.00 N ATOM 121 CA ILE A 10 4.784 4.646 1.545 1.00 0.00 C ATOM 122 C ILE A 10 4.772 3.442 0.633 1.00 0.00 C ATOM 123 O ILE A 10 4.307 3.510 -0.504 1.00 0.00 O ATOM 124 CB ILE A 10 3.418 4.755 2.255 1.00 0.00 C ATOM 125 CG1 ILE A 10 2.963 6.208 2.339 1.00 0.00 C ATOM 126 CG2 ILE A 10 3.494 4.144 3.648 1.00 0.00 C ATOM 127 CD1 ILE A 10 1.533 6.360 2.804 1.00 0.00 C ATOM 0 H ILE A 10 4.402 6.105 0.104 1.00 0.00 H new ATOM 0 HA ILE A 10 5.541 4.548 2.323 1.00 0.00 H new ATOM 0 HB ILE A 10 2.685 4.201 1.668 1.00 0.00 H new ATOM 0 HG12 ILE A 10 3.619 6.748 3.021 1.00 0.00 H new ATOM 0 HG13 ILE A 10 3.070 6.673 1.359 1.00 0.00 H new ATOM 0 HG21 ILE A 10 2.523 4.229 4.136 1.00 0.00 H new ATOM 0 HG22 ILE A 10 3.770 3.093 3.570 1.00 0.00 H new ATOM 0 HG23 ILE A 10 4.243 4.673 4.237 1.00 0.00 H new ATOM 0 HD11 ILE A 10 1.273 7.418 2.842 1.00 0.00 H new ATOM 0 HD12 ILE A 10 0.868 5.847 2.109 1.00 0.00 H new ATOM 0 HD13 ILE A 10 1.425 5.924 3.797 1.00 0.00 H new ATOM 139 N LYS A 11 5.309 2.357 1.126 1.00 0.00 N ATOM 140 CA LYS A 11 5.393 1.137 0.352 1.00 0.00 C ATOM 141 C LYS A 11 4.387 0.114 0.858 1.00 0.00 C ATOM 142 O LYS A 11 4.622 -0.567 1.854 1.00 0.00 O ATOM 143 CB LYS A 11 6.823 0.605 0.407 1.00 0.00 C ATOM 144 CG LYS A 11 7.875 1.707 0.258 1.00 0.00 C ATOM 145 CD LYS A 11 8.913 1.640 1.366 1.00 0.00 C ATOM 146 CE LYS A 11 10.179 0.936 0.903 1.00 0.00 C ATOM 147 NZ LYS A 11 11.403 1.706 1.257 1.00 0.00 N ATOM 0 H LYS A 11 5.698 2.289 2.066 1.00 0.00 H new ATOM 0 HA LYS A 11 5.143 1.342 -0.689 1.00 0.00 H new ATOM 0 HB2 LYS A 11 6.977 0.089 1.354 1.00 0.00 H new ATOM 0 HB3 LYS A 11 6.962 -0.132 -0.384 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.368 1.613 -0.710 1.00 0.00 H new ATOM 0 HG3 LYS A 11 7.387 2.682 0.274 1.00 0.00 H new ATOM 0 HD2 LYS A 11 9.157 2.649 1.698 1.00 0.00 H new ATOM 0 HD3 LYS A 11 8.496 1.114 2.225 1.00 0.00 H new ATOM 0 HE2 LYS A 11 10.230 -0.055 1.355 1.00 0.00 H new ATOM 0 HE3 LYS A 11 10.140 0.792 -0.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 12.198 1.385 0.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 11.236 2.719 1.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 11.632 1.553 2.260 1.00 0.00 H new ATOM 161 N CYS A 12 3.248 0.041 0.172 1.00 0.00 N ATOM 162 CA CYS A 12 2.172 -0.865 0.552 1.00 0.00 C ATOM 163 C CYS A 12 1.745 -1.734 -0.633 1.00 0.00 C ATOM 164 O CYS A 12 2.297 -1.625 -1.724 1.00 0.00 O ATOM 165 CB CYS A 12 0.987 -0.044 1.077 1.00 0.00 C ATOM 166 SG CYS A 12 -0.080 -0.898 2.257 1.00 0.00 S ATOM 0 H CYS A 12 3.048 0.604 -0.655 1.00 0.00 H new ATOM 0 HA CYS A 12 2.527 -1.533 1.337 1.00 0.00 H new ATOM 0 HB2 CYS A 12 1.373 0.860 1.549 1.00 0.00 H new ATOM 0 HB3 CYS A 12 0.381 0.273 0.228 1.00 0.00 H new ATOM 0 HG CYS A 12 -0.760 -0.024 2.938 1.00 0.00 H new ATOM 172 N SER A 13 0.766 -2.603 -0.403 1.00 0.00 N ATOM 173 CA SER A 13 0.253 -3.493 -1.439 1.00 0.00 C ATOM 174 C SER A 13 -1.242 -3.250 -1.640 1.00 0.00 C ATOM 175 O SER A 13 -1.894 -2.640 -0.794 1.00 0.00 O ATOM 176 CB SER A 13 0.501 -4.954 -1.057 1.00 0.00 C ATOM 177 OG SER A 13 -0.315 -5.827 -1.820 1.00 0.00 O ATOM 0 H SER A 13 0.308 -2.710 0.502 1.00 0.00 H new ATOM 0 HA SER A 13 0.777 -3.284 -2.372 1.00 0.00 H new ATOM 0 HB2 SER A 13 1.551 -5.201 -1.215 1.00 0.00 H new ATOM 0 HB3 SER A 13 0.297 -5.095 0.004 1.00 0.00 H new ATOM 0 HG SER A 13 -0.065 -5.765 -2.766 1.00 0.00 H new ATOM 183 N HIS A 14 -1.786 -3.721 -2.761 1.00 0.00 N ATOM 184 CA HIS A 14 -3.209 -3.532 -3.045 1.00 0.00 C ATOM 185 C HIS A 14 -3.885 -4.834 -3.466 1.00 0.00 C ATOM 186 O HIS A 14 -3.260 -5.709 -4.062 1.00 0.00 O ATOM 187 CB HIS A 14 -3.403 -2.461 -4.125 1.00 0.00 C ATOM 188 CG HIS A 14 -2.980 -2.889 -5.500 1.00 0.00 C ATOM 189 ND1 HIS A 14 -2.296 -4.060 -5.754 1.00 0.00 N ATOM 190 CD2 HIS A 14 -3.153 -2.289 -6.703 1.00 0.00 C ATOM 191 CE1 HIS A 14 -2.067 -4.160 -7.052 1.00 0.00 C ATOM 192 NE2 HIS A 14 -2.577 -3.101 -7.648 1.00 0.00 N ATOM 0 H HIS A 14 -1.271 -4.230 -3.480 1.00 0.00 H new ATOM 0 HA HIS A 14 -3.682 -3.199 -2.122 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -4.455 -2.176 -4.153 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -2.839 -1.572 -3.844 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -2.012 -4.742 -5.050 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -3.651 -1.348 -6.884 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -1.550 -4.972 -7.541 1.00 0.00 H new ATOM 201 N ILE A 15 -5.173 -4.946 -3.145 1.00 0.00 N ATOM 202 CA ILE A 15 -5.952 -6.133 -3.481 1.00 0.00 C ATOM 203 C ILE A 15 -7.445 -5.802 -3.558 1.00 0.00 C ATOM 204 O ILE A 15 -7.994 -5.164 -2.659 1.00 0.00 O ATOM 205 CB ILE A 15 -5.720 -7.262 -2.447 1.00 0.00 C ATOM 206 CG1 ILE A 15 -4.309 -7.842 -2.589 1.00 0.00 C ATOM 207 CG2 ILE A 15 -6.761 -8.366 -2.601 1.00 0.00 C ATOM 208 CD1 ILE A 15 -3.276 -7.157 -1.723 1.00 0.00 C ATOM 0 H ILE A 15 -5.699 -4.225 -2.651 1.00 0.00 H new ATOM 0 HA ILE A 15 -5.616 -6.480 -4.458 1.00 0.00 H new ATOM 0 HB ILE A 15 -5.822 -6.831 -1.451 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.335 -8.902 -2.337 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -4.000 -7.770 -3.632 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -6.575 -9.147 -1.863 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -7.757 -7.951 -2.447 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -6.695 -8.791 -3.603 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.303 -7.623 -1.879 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -3.219 -6.102 -1.990 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.560 -7.251 -0.675 1.00 0.00 H new ATOM 220 N LEU A 16 -8.100 -6.239 -4.637 1.00 0.00 N ATOM 221 CA LEU A 16 -9.530 -5.983 -4.820 1.00 0.00 C ATOM 222 C LEU A 16 -10.313 -7.275 -4.997 1.00 0.00 C ATOM 223 O LEU A 16 -9.889 -8.178 -5.717 1.00 0.00 O ATOM 224 CB LEU A 16 -9.777 -5.090 -6.039 1.00 0.00 C ATOM 225 CG LEU A 16 -9.795 -3.593 -5.754 1.00 0.00 C ATOM 226 CD1 LEU A 16 -10.862 -3.254 -4.727 1.00 0.00 C ATOM 227 CD2 LEU A 16 -8.425 -3.139 -5.288 1.00 0.00 C ATOM 0 H LEU A 16 -7.665 -6.769 -5.393 1.00 0.00 H new ATOM 0 HA LEU A 16 -9.874 -5.478 -3.918 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -9.004 -5.293 -6.781 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -10.730 -5.370 -6.487 1.00 0.00 H new ATOM 0 HG LEU A 16 -10.041 -3.062 -6.674 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -10.857 -2.180 -4.538 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -11.840 -3.552 -5.106 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -10.656 -3.786 -3.799 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -8.446 -2.068 -5.086 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -8.154 -3.674 -4.378 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -7.689 -3.348 -6.064 1.00 0.00 H new ATOM 239 N VAL A 17 -11.473 -7.338 -4.351 1.00 0.00 N ATOM 240 CA VAL A 17 -12.346 -8.497 -4.443 1.00 0.00 C ATOM 241 C VAL A 17 -13.804 -8.063 -4.304 1.00 0.00 C ATOM 242 O VAL A 17 -14.135 -7.264 -3.427 1.00 0.00 O ATOM 243 CB VAL A 17 -12.005 -9.542 -3.366 1.00 0.00 C ATOM 244 CG1 VAL A 17 -10.537 -9.938 -3.460 1.00 0.00 C ATOM 245 CG2 VAL A 17 -12.335 -9.012 -1.976 1.00 0.00 C ATOM 0 H VAL A 17 -11.830 -6.592 -3.754 1.00 0.00 H new ATOM 0 HA VAL A 17 -12.195 -8.957 -5.420 1.00 0.00 H new ATOM 0 HB VAL A 17 -12.613 -10.430 -3.540 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -10.310 -10.678 -2.692 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -10.337 -10.363 -4.444 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -9.912 -9.057 -3.311 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -12.086 -9.767 -1.230 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -11.757 -8.108 -1.784 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -13.399 -8.781 -1.918 1.00 0.00 H new ATOM 255 N LYS A 18 -14.671 -8.572 -5.175 1.00 0.00 N ATOM 256 CA LYS A 18 -16.082 -8.199 -5.131 1.00 0.00 C ATOM 257 C LYS A 18 -16.767 -8.779 -3.899 1.00 0.00 C ATOM 258 O LYS A 18 -17.612 -8.127 -3.286 1.00 0.00 O ATOM 259 CB LYS A 18 -16.798 -8.659 -6.403 1.00 0.00 C ATOM 260 CG LYS A 18 -17.135 -7.525 -7.356 1.00 0.00 C ATOM 261 CD LYS A 18 -15.952 -7.173 -8.243 1.00 0.00 C ATOM 262 CE LYS A 18 -16.395 -6.429 -9.491 1.00 0.00 C ATOM 263 NZ LYS A 18 -16.899 -7.358 -10.540 1.00 0.00 N ATOM 0 H LYS A 18 -14.426 -9.235 -5.911 1.00 0.00 H new ATOM 0 HA LYS A 18 -16.139 -7.112 -5.069 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -16.170 -9.383 -6.921 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -17.717 -9.175 -6.126 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -17.984 -7.810 -7.977 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -17.438 -6.647 -6.786 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -15.246 -6.559 -7.683 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -15.426 -8.084 -8.528 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -17.177 -5.716 -9.231 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -15.558 -5.853 -9.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -17.192 -6.812 -11.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -16.145 -8.022 -10.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -17.713 -7.889 -10.171 1.00 0.00 H new ATOM 277 N LYS A 19 -16.379 -9.991 -3.518 1.00 0.00 N ATOM 278 CA LYS A 19 -16.942 -10.621 -2.341 1.00 0.00 C ATOM 279 C LYS A 19 -16.396 -9.923 -1.100 1.00 0.00 C ATOM 280 O LYS A 19 -15.462 -10.395 -0.452 1.00 0.00 O ATOM 281 CB LYS A 19 -16.632 -12.119 -2.336 1.00 0.00 C ATOM 282 CG LYS A 19 -15.258 -12.481 -2.882 1.00 0.00 C ATOM 283 CD LYS A 19 -14.676 -13.689 -2.166 1.00 0.00 C ATOM 284 CE LYS A 19 -14.681 -14.923 -3.054 1.00 0.00 C ATOM 285 NZ LYS A 19 -16.063 -15.331 -3.431 1.00 0.00 N ATOM 0 H LYS A 19 -15.680 -10.550 -4.007 1.00 0.00 H new ATOM 0 HA LYS A 19 -18.027 -10.522 -2.346 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -16.712 -12.490 -1.314 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -17.390 -12.636 -2.924 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -15.333 -12.690 -3.949 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -14.585 -11.631 -2.770 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -13.655 -13.470 -1.853 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -15.251 -13.889 -1.262 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -14.103 -14.723 -3.956 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -14.189 -15.745 -2.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -16.027 -16.214 -3.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -16.628 -15.481 -2.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -16.501 -14.584 -4.007 1.00 0.00 H new ATOM 299 N GLN A 20 -16.973 -8.761 -0.816 1.00 0.00 N ATOM 300 CA GLN A 20 -16.557 -7.915 0.297 1.00 0.00 C ATOM 301 C GLN A 20 -16.370 -8.683 1.598 1.00 0.00 C ATOM 302 O GLN A 20 -15.600 -8.255 2.458 1.00 0.00 O ATOM 303 CB GLN A 20 -17.564 -6.785 0.506 1.00 0.00 C ATOM 304 CG GLN A 20 -18.998 -7.266 0.652 1.00 0.00 C ATOM 305 CD GLN A 20 -19.418 -7.415 2.101 1.00 0.00 C ATOM 306 OE1 GLN A 20 -19.911 -8.466 2.511 1.00 0.00 O ATOM 307 NE2 GLN A 20 -19.224 -6.360 2.886 1.00 0.00 N ATOM 0 H GLN A 20 -17.748 -8.376 -1.356 1.00 0.00 H new ATOM 0 HA GLN A 20 -15.583 -7.506 0.026 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -17.286 -6.222 1.397 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -17.505 -6.097 -0.337 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -19.666 -6.563 0.154 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -19.109 -8.224 0.145 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -18.812 -5.509 2.504 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -19.487 -6.402 3.871 1.00 0.00 H new ATOM 316 N GLY A 21 -17.054 -9.805 1.756 1.00 0.00 N ATOM 317 CA GLY A 21 -16.897 -10.556 2.981 1.00 0.00 C ATOM 318 C GLY A 21 -15.505 -11.133 3.086 1.00 0.00 C ATOM 319 O GLY A 21 -14.946 -11.250 4.178 1.00 0.00 O ATOM 0 H GLY A 21 -17.701 -10.202 1.075 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -17.092 -9.909 3.836 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -17.632 -11.360 3.016 1.00 0.00 H new ATOM 323 N GLU A 22 -14.927 -11.451 1.938 1.00 0.00 N ATOM 324 CA GLU A 22 -13.578 -11.980 1.893 1.00 0.00 C ATOM 325 C GLU A 22 -12.581 -10.892 2.260 1.00 0.00 C ATOM 326 O GLU A 22 -11.602 -11.135 2.961 1.00 0.00 O ATOM 327 CB GLU A 22 -13.284 -12.541 0.502 1.00 0.00 C ATOM 328 CG GLU A 22 -12.954 -11.502 -0.552 1.00 0.00 C ATOM 329 CD GLU A 22 -11.662 -11.814 -1.282 1.00 0.00 C ATOM 330 OE1 GLU A 22 -11.706 -12.581 -2.269 1.00 0.00 O ATOM 331 OE2 GLU A 22 -10.607 -11.290 -0.873 1.00 0.00 O ATOM 0 H GLU A 22 -15.373 -11.351 1.026 1.00 0.00 H new ATOM 0 HA GLU A 22 -13.484 -12.790 2.617 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -12.450 -13.238 0.577 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -14.149 -13.114 0.168 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -13.771 -11.445 -1.272 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -12.875 -10.522 -0.081 1.00 0.00 H new ATOM 338 N ALA A 23 -12.854 -9.685 1.779 1.00 0.00 N ATOM 339 CA ALA A 23 -12.003 -8.536 2.048 1.00 0.00 C ATOM 340 C ALA A 23 -11.704 -8.434 3.542 1.00 0.00 C ATOM 341 O ALA A 23 -10.585 -8.118 3.946 1.00 0.00 O ATOM 342 CB ALA A 23 -12.664 -7.260 1.539 1.00 0.00 C ATOM 0 H ALA A 23 -13.665 -9.478 1.196 1.00 0.00 H new ATOM 0 HA ALA A 23 -11.058 -8.667 1.520 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -12.017 -6.408 1.746 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -12.827 -7.339 0.464 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -13.621 -7.120 2.042 1.00 0.00 H new ATOM 348 N LEU A 24 -12.717 -8.715 4.358 1.00 0.00 N ATOM 349 CA LEU A 24 -12.570 -8.674 5.807 1.00 0.00 C ATOM 350 C LEU A 24 -11.759 -9.863 6.312 1.00 0.00 C ATOM 351 O LEU A 24 -11.090 -9.778 7.338 1.00 0.00 O ATOM 352 CB LEU A 24 -13.943 -8.648 6.485 1.00 0.00 C ATOM 353 CG LEU A 24 -14.067 -7.671 7.654 1.00 0.00 C ATOM 354 CD1 LEU A 24 -13.091 -8.036 8.763 1.00 0.00 C ATOM 355 CD2 LEU A 24 -13.832 -6.243 7.183 1.00 0.00 C ATOM 0 H LEU A 24 -13.650 -8.974 4.037 1.00 0.00 H new ATOM 0 HA LEU A 24 -12.032 -7.761 6.062 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -14.696 -8.395 5.738 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -14.174 -9.651 6.843 1.00 0.00 H new ATOM 0 HG LEU A 24 -15.079 -7.739 8.053 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -13.195 -7.329 9.586 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -13.306 -9.043 9.120 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -12.072 -7.998 8.378 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -13.924 -5.561 8.028 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -12.832 -6.160 6.757 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -14.571 -5.983 6.425 1.00 0.00 H new ATOM 367 N ALA A 25 -11.841 -10.978 5.595 1.00 0.00 N ATOM 368 CA ALA A 25 -11.125 -12.189 5.982 1.00 0.00 C ATOM 369 C ALA A 25 -9.681 -12.177 5.483 1.00 0.00 C ATOM 370 O ALA A 25 -8.778 -12.661 6.165 1.00 0.00 O ATOM 371 CB ALA A 25 -11.851 -13.417 5.456 1.00 0.00 C ATOM 0 H ALA A 25 -12.395 -11.069 4.744 1.00 0.00 H new ATOM 0 HA ALA A 25 -11.098 -12.224 7.071 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -11.308 -14.315 5.751 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -12.858 -13.450 5.871 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -11.908 -13.368 4.369 1.00 0.00 H new ATOM 377 N VAL A 26 -9.468 -11.628 4.291 1.00 0.00 N ATOM 378 CA VAL A 26 -8.133 -11.568 3.710 1.00 0.00 C ATOM 379 C VAL A 26 -7.165 -10.838 4.629 1.00 0.00 C ATOM 380 O VAL A 26 -5.986 -11.169 4.681 1.00 0.00 O ATOM 381 CB VAL A 26 -8.129 -10.891 2.320 1.00 0.00 C ATOM 382 CG1 VAL A 26 -9.315 -11.357 1.490 1.00 0.00 C ATOM 383 CG2 VAL A 26 -8.117 -9.373 2.448 1.00 0.00 C ATOM 0 H VAL A 26 -10.201 -11.220 3.711 1.00 0.00 H new ATOM 0 HA VAL A 26 -7.806 -12.601 3.588 1.00 0.00 H new ATOM 0 HB VAL A 26 -7.216 -11.188 1.804 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -9.292 -10.868 0.516 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -9.263 -12.437 1.355 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -10.242 -11.100 2.003 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.114 -8.924 1.455 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -9.004 -9.047 2.991 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.224 -9.061 2.990 1.00 0.00 H new ATOM 393 N GLN A 27 -7.663 -9.846 5.359 1.00 0.00 N ATOM 394 CA GLN A 27 -6.811 -9.096 6.270 1.00 0.00 C ATOM 395 C GLN A 27 -6.210 -10.042 7.307 1.00 0.00 C ATOM 396 O GLN A 27 -4.998 -10.064 7.511 1.00 0.00 O ATOM 397 CB GLN A 27 -7.593 -7.943 6.930 1.00 0.00 C ATOM 398 CG GLN A 27 -8.481 -8.348 8.095 1.00 0.00 C ATOM 399 CD GLN A 27 -8.747 -7.200 9.049 1.00 0.00 C ATOM 400 OE1 GLN A 27 -8.494 -7.302 10.249 1.00 0.00 O ATOM 401 NE2 GLN A 27 -9.261 -6.095 8.519 1.00 0.00 N ATOM 0 H GLN A 27 -8.638 -9.547 5.338 1.00 0.00 H new ATOM 0 HA GLN A 27 -5.994 -8.644 5.708 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -6.881 -7.195 7.279 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -8.212 -7.464 6.171 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -9.429 -8.724 7.711 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -8.010 -9.167 8.639 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -9.456 -6.052 7.519 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -9.461 -5.290 9.113 1.00 0.00 H new ATOM 410 N GLU A 28 -7.066 -10.843 7.933 1.00 0.00 N ATOM 411 CA GLU A 28 -6.627 -11.818 8.923 1.00 0.00 C ATOM 412 C GLU A 28 -5.920 -12.989 8.239 1.00 0.00 C ATOM 413 O GLU A 28 -5.074 -13.660 8.833 1.00 0.00 O ATOM 414 CB GLU A 28 -7.827 -12.313 9.746 1.00 0.00 C ATOM 415 CG GLU A 28 -8.522 -13.542 9.173 1.00 0.00 C ATOM 416 CD GLU A 28 -8.072 -14.828 9.837 1.00 0.00 C ATOM 417 OE1 GLU A 28 -8.144 -14.911 11.083 1.00 0.00 O ATOM 418 OE2 GLU A 28 -7.649 -15.753 9.113 1.00 0.00 O ATOM 0 H GLU A 28 -8.073 -10.835 7.770 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.918 -11.339 9.599 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -7.489 -12.541 10.757 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -8.554 -11.505 9.827 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.600 -13.434 9.292 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.324 -13.601 8.103 1.00 0.00 H new ATOM 425 N ARG A 29 -6.297 -13.231 6.986 1.00 0.00 N ATOM 426 CA ARG A 29 -5.738 -14.320 6.193 1.00 0.00 C ATOM 427 C ARG A 29 -4.354 -13.972 5.653 1.00 0.00 C ATOM 428 O ARG A 29 -3.494 -14.840 5.512 1.00 0.00 O ATOM 429 CB ARG A 29 -6.683 -14.629 5.031 1.00 0.00 C ATOM 430 CG ARG A 29 -6.529 -16.024 4.456 1.00 0.00 C ATOM 431 CD ARG A 29 -7.037 -17.085 5.418 1.00 0.00 C ATOM 432 NE ARG A 29 -7.687 -18.191 4.717 1.00 0.00 N ATOM 433 CZ ARG A 29 -8.536 -19.039 5.293 1.00 0.00 C ATOM 434 NH1 ARG A 29 -8.838 -18.917 6.579 1.00 0.00 N ATOM 435 NH2 ARG A 29 -9.083 -20.013 4.580 1.00 0.00 N ATOM 0 H ARG A 29 -6.998 -12.678 6.493 1.00 0.00 H new ATOM 0 HA ARG A 29 -5.632 -15.193 6.837 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -7.711 -14.500 5.370 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.515 -13.901 4.238 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -7.076 -16.093 3.516 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -5.479 -16.211 4.229 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -6.205 -17.468 6.008 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -7.742 -16.634 6.117 1.00 0.00 H new ATOM 0 HE ARG A 29 -7.477 -18.321 3.727 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -8.419 -18.170 7.133 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -9.489 -19.570 7.014 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -8.853 -20.112 3.591 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -9.734 -20.664 5.020 1.00 0.00 H new ATOM 449 N LEU A 30 -4.153 -12.698 5.338 1.00 0.00 N ATOM 450 CA LEU A 30 -2.885 -12.224 4.796 1.00 0.00 C ATOM 451 C LEU A 30 -1.714 -12.632 5.689 1.00 0.00 C ATOM 452 O LEU A 30 -0.806 -13.337 5.250 1.00 0.00 O ATOM 453 CB LEU A 30 -2.932 -10.702 4.630 1.00 0.00 C ATOM 454 CG LEU A 30 -1.915 -10.116 3.647 1.00 0.00 C ATOM 455 CD1 LEU A 30 -0.500 -10.486 4.061 1.00 0.00 C ATOM 456 CD2 LEU A 30 -2.209 -10.590 2.228 1.00 0.00 C ATOM 0 H LEU A 30 -4.858 -11.969 5.450 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.731 -12.686 3.821 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.933 -10.420 4.302 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.775 -10.242 5.606 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.001 -9.030 3.666 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.210 -10.061 3.351 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -0.297 -10.092 5.057 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.396 -11.571 4.072 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.476 -10.164 1.543 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.153 -11.678 2.189 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.209 -10.268 1.937 1.00 0.00 H new ATOM 468 N LYS A 31 -1.745 -12.193 6.942 1.00 0.00 N ATOM 469 CA LYS A 31 -0.686 -12.524 7.894 1.00 0.00 C ATOM 470 C LYS A 31 -0.764 -13.986 8.323 1.00 0.00 C ATOM 471 O LYS A 31 0.137 -14.492 8.992 1.00 0.00 O ATOM 472 CB LYS A 31 -0.774 -11.622 9.124 1.00 0.00 C ATOM 473 CG LYS A 31 -2.127 -11.656 9.812 1.00 0.00 C ATOM 474 CD LYS A 31 -2.851 -10.324 9.691 1.00 0.00 C ATOM 475 CE LYS A 31 -2.985 -9.636 11.042 1.00 0.00 C ATOM 476 NZ LYS A 31 -4.308 -8.970 11.198 1.00 0.00 N ATOM 0 H LYS A 31 -2.489 -11.609 7.324 1.00 0.00 H new ATOM 0 HA LYS A 31 0.269 -12.362 7.395 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -0.006 -11.920 9.838 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.553 -10.597 8.828 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.739 -12.444 9.374 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.994 -11.904 10.865 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.308 -9.675 9.004 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.841 -10.484 9.264 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -2.852 -10.369 11.837 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -2.191 -8.897 11.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -4.493 -8.798 12.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.303 -8.064 10.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -5.053 -9.582 10.809 1.00 0.00 H new ATOM 490 N ALA A 32 -1.847 -14.661 7.946 1.00 0.00 N ATOM 491 CA ALA A 32 -2.039 -16.058 8.306 1.00 0.00 C ATOM 492 C ALA A 32 -0.879 -16.921 7.825 1.00 0.00 C ATOM 493 O ALA A 32 -0.641 -18.009 8.350 1.00 0.00 O ATOM 494 CB ALA A 32 -3.351 -16.570 7.730 1.00 0.00 C ATOM 0 H ALA A 32 -2.604 -14.261 7.391 1.00 0.00 H new ATOM 0 HA ALA A 32 -2.075 -16.124 9.393 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.485 -17.616 8.005 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.177 -15.981 8.128 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -3.331 -16.480 6.644 1.00 0.00 H new ATOM 500 N GLY A 33 -0.164 -16.432 6.820 1.00 0.00 N ATOM 501 CA GLY A 33 0.953 -17.167 6.278 1.00 0.00 C ATOM 502 C GLY A 33 1.171 -16.882 4.804 1.00 0.00 C ATOM 503 O GLY A 33 2.240 -17.167 4.262 1.00 0.00 O ATOM 0 H GLY A 33 -0.342 -15.534 6.371 1.00 0.00 H new ATOM 0 HA2 GLY A 33 1.856 -16.912 6.832 1.00 0.00 H new ATOM 0 HA3 GLY A 33 0.784 -18.235 6.418 1.00 0.00 H new ATOM 507 N GLU A 34 0.157 -16.316 4.153 1.00 0.00 N ATOM 508 CA GLU A 34 0.250 -15.994 2.734 1.00 0.00 C ATOM 509 C GLU A 34 0.876 -14.619 2.534 1.00 0.00 C ATOM 510 O GLU A 34 0.853 -13.779 3.434 1.00 0.00 O ATOM 511 CB GLU A 34 -1.132 -16.040 2.080 1.00 0.00 C ATOM 512 CG GLU A 34 -2.150 -15.128 2.742 1.00 0.00 C ATOM 513 CD GLU A 34 -3.480 -15.109 2.013 1.00 0.00 C ATOM 514 OE1 GLU A 34 -3.532 -15.584 0.859 1.00 0.00 O ATOM 515 OE2 GLU A 34 -4.470 -14.622 2.598 1.00 0.00 O ATOM 0 H GLU A 34 -0.734 -16.072 4.585 1.00 0.00 H new ATOM 0 HA GLU A 34 0.887 -16.740 2.259 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.037 -15.763 1.030 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.503 -17.064 2.107 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -2.309 -15.453 3.770 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -1.750 -14.115 2.786 1.00 0.00 H new ATOM 522 N LYS A 35 1.437 -14.397 1.352 1.00 0.00 N ATOM 523 CA LYS A 35 2.073 -13.124 1.036 1.00 0.00 C ATOM 524 C LYS A 35 1.146 -12.237 0.216 1.00 0.00 C ATOM 525 O LYS A 35 0.414 -12.716 -0.650 1.00 0.00 O ATOM 526 CB LYS A 35 3.380 -13.358 0.277 1.00 0.00 C ATOM 527 CG LYS A 35 4.168 -12.085 0.017 1.00 0.00 C ATOM 528 CD LYS A 35 5.292 -11.910 1.026 1.00 0.00 C ATOM 529 CE LYS A 35 6.610 -12.447 0.492 1.00 0.00 C ATOM 530 NZ LYS A 35 7.159 -11.588 -0.593 1.00 0.00 N ATOM 0 H LYS A 35 1.465 -15.082 0.596 1.00 0.00 H new ATOM 0 HA LYS A 35 2.292 -12.615 1.975 1.00 0.00 H new ATOM 0 HB2 LYS A 35 4.001 -14.051 0.845 1.00 0.00 H new ATOM 0 HB3 LYS A 35 3.156 -13.838 -0.676 1.00 0.00 H new ATOM 0 HG2 LYS A 35 4.583 -12.112 -0.991 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.499 -11.226 0.063 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.401 -10.853 1.271 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.036 -12.427 1.951 1.00 0.00 H new ATOM 0 HE2 LYS A 35 7.333 -12.511 1.306 1.00 0.00 H new ATOM 0 HE3 LYS A 35 6.464 -13.459 0.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 8.174 -11.782 -0.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.663 -11.794 -1.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 7.024 -10.587 -0.345 1.00 0.00 H new ATOM 544 N PHE A 36 1.189 -10.938 0.495 1.00 0.00 N ATOM 545 CA PHE A 36 0.361 -9.971 -0.216 1.00 0.00 C ATOM 546 C PHE A 36 0.442 -10.193 -1.723 1.00 0.00 C ATOM 547 O PHE A 36 -0.507 -9.911 -2.456 1.00 0.00 O ATOM 548 CB PHE A 36 0.802 -8.545 0.124 1.00 0.00 C ATOM 549 CG PHE A 36 2.293 -8.377 0.206 1.00 0.00 C ATOM 550 CD1 PHE A 36 3.074 -8.443 -0.937 1.00 0.00 C ATOM 551 CD2 PHE A 36 2.913 -8.157 1.425 1.00 0.00 C ATOM 552 CE1 PHE A 36 4.446 -8.289 -0.866 1.00 0.00 C ATOM 553 CE2 PHE A 36 4.285 -8.004 1.503 1.00 0.00 C ATOM 554 CZ PHE A 36 5.051 -8.069 0.356 1.00 0.00 C ATOM 0 H PHE A 36 1.791 -10.530 1.211 1.00 0.00 H new ATOM 0 HA PHE A 36 -0.673 -10.111 0.100 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.409 -7.863 -0.630 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.360 -8.255 1.077 1.00 0.00 H new ATOM 0 HD1 PHE A 36 2.605 -8.617 -1.894 1.00 0.00 H new ATOM 0 HD2 PHE A 36 2.318 -8.104 2.325 1.00 0.00 H new ATOM 0 HE1 PHE A 36 5.044 -8.341 -1.764 1.00 0.00 H new ATOM 0 HE2 PHE A 36 4.757 -7.834 2.460 1.00 0.00 H new ATOM 0 HZ PHE A 36 6.123 -7.948 0.414 1.00 0.00 H new ATOM 564 N GLY A 37 1.583 -10.703 -2.176 1.00 0.00 N ATOM 565 CA GLY A 37 1.771 -10.961 -3.587 1.00 0.00 C ATOM 566 C GLY A 37 0.866 -12.058 -4.102 1.00 0.00 C ATOM 567 O GLY A 37 0.341 -11.970 -5.213 1.00 0.00 O ATOM 0 H GLY A 37 2.381 -10.942 -1.587 1.00 0.00 H new ATOM 0 HA2 GLY A 37 1.583 -10.046 -4.148 1.00 0.00 H new ATOM 0 HA3 GLY A 37 2.810 -11.237 -3.767 1.00 0.00 H new ATOM 571 N LYS A 38 0.678 -13.092 -3.293 1.00 0.00 N ATOM 572 CA LYS A 38 -0.175 -14.210 -3.672 1.00 0.00 C ATOM 573 C LYS A 38 -1.599 -13.739 -3.937 1.00 0.00 C ATOM 574 O LYS A 38 -2.176 -14.039 -4.981 1.00 0.00 O ATOM 575 CB LYS A 38 -0.171 -15.277 -2.576 1.00 0.00 C ATOM 576 CG LYS A 38 -0.958 -16.526 -2.938 1.00 0.00 C ATOM 577 CD LYS A 38 -0.350 -17.771 -2.312 1.00 0.00 C ATOM 578 CE LYS A 38 -1.014 -18.111 -0.987 1.00 0.00 C ATOM 579 NZ LYS A 38 -1.670 -19.447 -1.021 1.00 0.00 N ATOM 0 H LYS A 38 1.105 -13.180 -2.371 1.00 0.00 H new ATOM 0 HA LYS A 38 0.221 -14.644 -4.590 1.00 0.00 H new ATOM 0 HB2 LYS A 38 0.859 -15.558 -2.358 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -0.585 -14.849 -1.663 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -1.990 -16.416 -2.604 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -0.985 -16.639 -4.022 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -0.453 -18.612 -2.998 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.718 -17.616 -2.156 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -0.268 -18.093 -0.192 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -1.755 -17.349 -0.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -2.111 -19.641 -0.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -2.399 -19.457 -1.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -0.959 -20.178 -1.225 1.00 0.00 H new ATOM 593 N LEU A 39 -2.157 -12.991 -2.986 1.00 0.00 N ATOM 594 CA LEU A 39 -3.516 -12.472 -3.113 1.00 0.00 C ATOM 595 C LEU A 39 -3.683 -11.710 -4.424 1.00 0.00 C ATOM 596 O LEU A 39 -4.747 -11.743 -5.039 1.00 0.00 O ATOM 597 CB LEU A 39 -3.858 -11.541 -1.943 1.00 0.00 C ATOM 598 CG LEU A 39 -3.950 -12.199 -0.556 1.00 0.00 C ATOM 599 CD1 LEU A 39 -4.884 -13.396 -0.589 1.00 0.00 C ATOM 600 CD2 LEU A 39 -2.577 -12.610 -0.048 1.00 0.00 C ATOM 0 H LEU A 39 -1.687 -12.731 -2.119 1.00 0.00 H new ATOM 0 HA LEU A 39 -4.195 -13.325 -3.102 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.105 -10.754 -1.900 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.811 -11.058 -2.157 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.357 -11.460 0.134 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.934 -13.846 0.403 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.880 -13.072 -0.891 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.509 -14.130 -1.302 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.676 -13.072 0.934 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.131 -13.323 -0.741 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.939 -11.730 0.028 1.00 0.00 H new ATOM 612 N ALA A 40 -2.622 -11.027 -4.846 1.00 0.00 N ATOM 613 CA ALA A 40 -2.651 -10.253 -6.083 1.00 0.00 C ATOM 614 C ALA A 40 -3.141 -11.112 -7.244 1.00 0.00 C ATOM 615 O ALA A 40 -4.081 -10.752 -7.954 1.00 0.00 O ATOM 616 CB ALA A 40 -1.270 -9.690 -6.380 1.00 0.00 C ATOM 0 H ALA A 40 -1.732 -10.994 -4.349 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.347 -9.423 -5.958 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -1.303 -9.114 -7.305 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -0.957 -9.043 -5.561 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.559 -10.509 -6.487 1.00 0.00 H new ATOM 622 N LYS A 41 -2.503 -12.252 -7.420 1.00 0.00 N ATOM 623 CA LYS A 41 -2.867 -13.187 -8.472 1.00 0.00 C ATOM 624 C LYS A 41 -3.978 -14.135 -8.013 1.00 0.00 C ATOM 625 O LYS A 41 -4.663 -14.745 -8.834 1.00 0.00 O ATOM 626 CB LYS A 41 -1.645 -13.992 -8.911 1.00 0.00 C ATOM 627 CG LYS A 41 -0.407 -13.140 -9.151 1.00 0.00 C ATOM 628 CD LYS A 41 0.670 -13.415 -8.114 1.00 0.00 C ATOM 629 CE LYS A 41 1.953 -12.661 -8.429 1.00 0.00 C ATOM 630 NZ LYS A 41 2.605 -13.169 -9.669 1.00 0.00 N ATOM 0 H LYS A 41 -1.720 -12.558 -6.842 1.00 0.00 H new ATOM 0 HA LYS A 41 -3.240 -12.609 -9.318 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -1.420 -14.739 -8.149 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -1.886 -14.533 -9.826 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -0.014 -13.341 -10.147 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -0.679 -12.085 -9.123 1.00 0.00 H new ATOM 0 HD2 LYS A 41 0.309 -13.125 -7.127 1.00 0.00 H new ATOM 0 HD3 LYS A 41 0.875 -14.485 -8.076 1.00 0.00 H new ATOM 0 HE2 LYS A 41 1.732 -11.600 -8.544 1.00 0.00 H new ATOM 0 HE3 LYS A 41 2.644 -12.754 -7.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 3.578 -12.805 -9.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 2.624 -14.209 -9.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 2.068 -12.848 -10.500 1.00 0.00 H new ATOM 644 N GLU A 42 -4.105 -14.304 -6.696 1.00 0.00 N ATOM 645 CA GLU A 42 -5.083 -15.238 -6.131 1.00 0.00 C ATOM 646 C GLU A 42 -6.529 -14.729 -6.174 1.00 0.00 C ATOM 647 O GLU A 42 -7.354 -15.279 -6.904 1.00 0.00 O ATOM 648 CB GLU A 42 -4.690 -15.582 -4.694 1.00 0.00 C ATOM 649 CG GLU A 42 -4.264 -17.029 -4.510 1.00 0.00 C ATOM 650 CD GLU A 42 -5.440 -17.986 -4.499 1.00 0.00 C ATOM 651 OE1 GLU A 42 -6.331 -17.843 -5.364 1.00 0.00 O ATOM 652 OE2 GLU A 42 -5.472 -18.877 -3.624 1.00 0.00 O ATOM 0 H GLU A 42 -3.545 -13.809 -6.002 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.061 -16.128 -6.760 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.874 -14.929 -4.383 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.533 -15.374 -4.036 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.581 -17.308 -5.312 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.713 -17.126 -3.575 1.00 0.00 H new ATOM 659 N LEU A 43 -6.851 -13.696 -5.393 1.00 0.00 N ATOM 660 CA LEU A 43 -8.222 -13.173 -5.376 1.00 0.00 C ATOM 661 C LEU A 43 -8.299 -11.722 -5.829 1.00 0.00 C ATOM 662 O LEU A 43 -9.390 -11.201 -6.063 1.00 0.00 O ATOM 663 CB LEU A 43 -8.865 -13.315 -3.989 1.00 0.00 C ATOM 664 CG LEU A 43 -7.938 -13.125 -2.785 1.00 0.00 C ATOM 665 CD1 LEU A 43 -7.041 -14.337 -2.608 1.00 0.00 C ATOM 666 CD2 LEU A 43 -7.112 -11.853 -2.927 1.00 0.00 C ATOM 0 H LEU A 43 -6.199 -13.212 -4.776 1.00 0.00 H new ATOM 0 HA LEU A 43 -8.780 -13.779 -6.090 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -9.676 -12.591 -3.913 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -9.315 -14.306 -3.921 1.00 0.00 H new ATOM 0 HG LEU A 43 -8.555 -13.023 -1.893 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -6.389 -14.185 -1.748 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -7.655 -15.223 -2.446 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -6.435 -14.475 -3.503 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.462 -11.742 -2.059 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -6.504 -11.913 -3.830 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -7.778 -10.993 -2.994 1.00 0.00 H new ATOM 678 N SER A 44 -7.154 -11.066 -5.960 1.00 0.00 N ATOM 679 CA SER A 44 -7.138 -9.677 -6.393 1.00 0.00 C ATOM 680 C SER A 44 -7.685 -9.567 -7.810 1.00 0.00 C ATOM 681 O SER A 44 -7.239 -10.270 -8.716 1.00 0.00 O ATOM 682 CB SER A 44 -5.715 -9.150 -6.328 1.00 0.00 C ATOM 683 OG SER A 44 -5.492 -8.428 -5.136 1.00 0.00 O ATOM 0 H SER A 44 -6.235 -11.468 -5.775 1.00 0.00 H new ATOM 0 HA SER A 44 -7.770 -9.080 -5.735 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.013 -9.982 -6.389 1.00 0.00 H new ATOM 0 HB3 SER A 44 -5.523 -8.507 -7.187 1.00 0.00 H new ATOM 0 HG SER A 44 -4.807 -7.745 -5.291 1.00 0.00 H new ATOM 689 N ILE A 45 -8.688 -8.711 -7.984 1.00 0.00 N ATOM 690 CA ILE A 45 -9.333 -8.547 -9.280 1.00 0.00 C ATOM 691 C ILE A 45 -8.989 -7.229 -9.972 1.00 0.00 C ATOM 692 O ILE A 45 -9.061 -7.133 -11.197 1.00 0.00 O ATOM 693 CB ILE A 45 -10.860 -8.622 -9.106 1.00 0.00 C ATOM 694 CG1 ILE A 45 -11.350 -7.486 -8.206 1.00 0.00 C ATOM 695 CG2 ILE A 45 -11.244 -9.961 -8.501 1.00 0.00 C ATOM 696 CD1 ILE A 45 -12.715 -6.960 -8.577 1.00 0.00 C ATOM 0 H ILE A 45 -9.070 -8.122 -7.244 1.00 0.00 H new ATOM 0 HA ILE A 45 -8.960 -9.353 -9.912 1.00 0.00 H new ATOM 0 HB ILE A 45 -11.330 -8.521 -10.084 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -11.374 -7.837 -7.174 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -10.632 -6.667 -8.247 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -12.326 -10.009 -8.380 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -10.917 -10.765 -9.160 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -10.765 -10.071 -7.528 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -12.994 -6.157 -7.894 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -12.692 -6.577 -9.597 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -13.446 -7.765 -8.508 1.00 0.00 H new ATOM 708 N ASP A 46 -8.652 -6.207 -9.196 1.00 0.00 N ATOM 709 CA ASP A 46 -8.346 -4.900 -9.775 1.00 0.00 C ATOM 710 C ASP A 46 -7.009 -4.338 -9.309 1.00 0.00 C ATOM 711 O ASP A 46 -6.902 -3.805 -8.204 1.00 0.00 O ATOM 712 CB ASP A 46 -9.461 -3.909 -9.439 1.00 0.00 C ATOM 713 CG ASP A 46 -9.391 -2.653 -10.285 1.00 0.00 C ATOM 714 OD1 ASP A 46 -9.666 -2.741 -11.500 1.00 0.00 O ATOM 715 OD2 ASP A 46 -9.062 -1.584 -9.732 1.00 0.00 O ATOM 0 H ASP A 46 -8.583 -6.253 -8.179 1.00 0.00 H new ATOM 0 HA ASP A 46 -8.275 -5.044 -10.853 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -10.428 -4.390 -9.587 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -9.397 -3.638 -8.385 1.00 0.00 H new ATOM 720 N GLY A 47 -6.002 -4.420 -10.170 1.00 0.00 N ATOM 721 CA GLY A 47 -4.706 -3.868 -9.836 1.00 0.00 C ATOM 722 C GLY A 47 -3.661 -4.122 -10.903 1.00 0.00 C ATOM 723 O GLY A 47 -3.619 -5.197 -11.505 1.00 0.00 O ATOM 0 H GLY A 47 -6.060 -4.857 -11.090 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -4.804 -2.794 -9.680 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -4.366 -4.297 -8.893 1.00 0.00 H new ATOM 727 N GLY A 48 -2.787 -3.145 -11.108 1.00 0.00 N ATOM 728 CA GLY A 48 -1.727 -3.296 -12.083 1.00 0.00 C ATOM 729 C GLY A 48 -0.570 -4.069 -11.500 1.00 0.00 C ATOM 730 O GLY A 48 0.128 -4.803 -12.202 1.00 0.00 O ATOM 0 H GLY A 48 -2.794 -2.251 -10.616 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -2.108 -3.812 -12.964 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -1.386 -2.314 -12.411 1.00 0.00 H new ATOM 734 N SER A 49 -0.387 -3.913 -10.196 1.00 0.00 N ATOM 735 CA SER A 49 0.670 -4.604 -9.487 1.00 0.00 C ATOM 736 C SER A 49 0.307 -6.067 -9.250 1.00 0.00 C ATOM 737 O SER A 49 1.035 -6.780 -8.563 1.00 0.00 O ATOM 738 CB SER A 49 0.955 -3.912 -8.153 1.00 0.00 C ATOM 739 OG SER A 49 0.594 -2.543 -8.201 1.00 0.00 O ATOM 0 H SER A 49 -0.963 -3.309 -9.609 1.00 0.00 H new ATOM 0 HA SER A 49 1.567 -4.570 -10.105 1.00 0.00 H new ATOM 0 HB2 SER A 49 0.402 -4.409 -7.356 1.00 0.00 H new ATOM 0 HB3 SER A 49 2.014 -4.004 -7.911 1.00 0.00 H new ATOM 0 HG SER A 49 -0.355 -2.447 -7.976 1.00 0.00 H new ATOM 745 N ALA A 50 -0.794 -6.535 -9.845 1.00 0.00 N ATOM 746 CA ALA A 50 -1.183 -7.929 -9.695 1.00 0.00 C ATOM 747 C ALA A 50 -0.121 -8.801 -10.337 1.00 0.00 C ATOM 748 O ALA A 50 0.063 -9.964 -9.977 1.00 0.00 O ATOM 749 CB ALA A 50 -2.547 -8.186 -10.318 1.00 0.00 C ATOM 0 H ALA A 50 -1.419 -5.975 -10.425 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.263 -8.172 -8.635 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.813 -9.235 -10.192 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.294 -7.561 -9.829 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.513 -7.946 -11.381 1.00 0.00 H new ATOM 755 N LYS A 51 0.594 -8.199 -11.278 1.00 0.00 N ATOM 756 CA LYS A 51 1.670 -8.859 -11.982 1.00 0.00 C ATOM 757 C LYS A 51 2.982 -8.669 -11.223 1.00 0.00 C ATOM 758 O LYS A 51 3.945 -9.409 -11.419 1.00 0.00 O ATOM 759 CB LYS A 51 1.778 -8.264 -13.380 1.00 0.00 C ATOM 760 CG LYS A 51 0.766 -8.827 -14.362 1.00 0.00 C ATOM 761 CD LYS A 51 1.161 -10.213 -14.846 1.00 0.00 C ATOM 762 CE LYS A 51 0.194 -11.276 -14.347 1.00 0.00 C ATOM 763 NZ LYS A 51 0.651 -12.650 -14.690 1.00 0.00 N ATOM 0 H LYS A 51 0.438 -7.235 -11.571 1.00 0.00 H new ATOM 0 HA LYS A 51 1.466 -9.927 -12.055 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.648 -7.184 -13.317 1.00 0.00 H new ATOM 0 HB3 LYS A 51 2.782 -8.442 -13.765 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -0.214 -8.873 -13.888 1.00 0.00 H new ATOM 0 HG3 LYS A 51 0.676 -8.156 -15.216 1.00 0.00 H new ATOM 0 HD2 LYS A 51 1.186 -10.225 -15.936 1.00 0.00 H new ATOM 0 HD3 LYS A 51 2.169 -10.446 -14.502 1.00 0.00 H new ATOM 0 HE2 LYS A 51 0.086 -11.189 -13.266 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -0.791 -11.103 -14.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -0.036 -13.344 -14.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 0.730 -12.742 -15.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 1.579 -12.826 -14.255 1.00 0.00 H new ATOM 777 N ARG A 52 2.999 -7.657 -10.358 1.00 0.00 N ATOM 778 CA ARG A 52 4.168 -7.327 -9.555 1.00 0.00 C ATOM 779 C ARG A 52 3.987 -7.777 -8.106 1.00 0.00 C ATOM 780 O ARG A 52 4.598 -7.217 -7.200 1.00 0.00 O ATOM 781 CB ARG A 52 4.414 -5.822 -9.596 1.00 0.00 C ATOM 782 CG ARG A 52 4.564 -5.267 -11.004 1.00 0.00 C ATOM 783 CD ARG A 52 5.527 -4.092 -11.041 1.00 0.00 C ATOM 784 NE ARG A 52 6.321 -4.077 -12.268 1.00 0.00 N ATOM 785 CZ ARG A 52 6.929 -2.993 -12.747 1.00 0.00 C ATOM 786 NH1 ARG A 52 6.839 -1.834 -12.105 1.00 0.00 N ATOM 787 NH2 ARG A 52 7.628 -3.069 -13.870 1.00 0.00 N ATOM 0 H ARG A 52 2.200 -7.044 -10.196 1.00 0.00 H new ATOM 0 HA ARG A 52 5.027 -7.853 -9.973 1.00 0.00 H new ATOM 0 HB2 ARG A 52 3.587 -5.314 -9.100 1.00 0.00 H new ATOM 0 HB3 ARG A 52 5.315 -5.594 -9.027 1.00 0.00 H new ATOM 0 HG2 ARG A 52 4.922 -6.053 -11.669 1.00 0.00 H new ATOM 0 HG3 ARG A 52 3.590 -4.952 -11.378 1.00 0.00 H new ATOM 0 HD2 ARG A 52 4.967 -3.161 -10.960 1.00 0.00 H new ATOM 0 HD3 ARG A 52 6.192 -4.140 -10.179 1.00 0.00 H new ATOM 0 HE ARG A 52 6.415 -4.949 -12.789 1.00 0.00 H new ATOM 0 HH11 ARG A 52 6.302 -1.770 -11.240 1.00 0.00 H new ATOM 0 HH12 ARG A 52 7.307 -1.007 -12.477 1.00 0.00 H new ATOM 0 HH21 ARG A 52 7.700 -3.957 -14.367 1.00 0.00 H new ATOM 0 HH22 ARG A 52 8.094 -2.240 -14.238 1.00 0.00 H new ATOM 801 N ASP A 53 3.136 -8.779 -7.901 1.00 0.00 N ATOM 802 CA ASP A 53 2.859 -9.312 -6.568 1.00 0.00 C ATOM 803 C ASP A 53 2.235 -8.252 -5.656 1.00 0.00 C ATOM 804 O ASP A 53 2.552 -8.163 -4.471 1.00 0.00 O ATOM 805 CB ASP A 53 4.130 -9.925 -5.948 1.00 0.00 C ATOM 806 CG ASP A 53 5.033 -8.928 -5.237 1.00 0.00 C ATOM 807 OD1 ASP A 53 4.761 -8.610 -4.061 1.00 0.00 O ATOM 808 OD2 ASP A 53 6.026 -8.485 -5.851 1.00 0.00 O ATOM 0 H ASP A 53 2.621 -9.243 -8.649 1.00 0.00 H new ATOM 0 HA ASP A 53 2.124 -10.110 -6.672 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.835 -10.698 -5.239 1.00 0.00 H new ATOM 0 HB3 ASP A 53 4.702 -10.416 -6.735 1.00 0.00 H new ATOM 813 N GLY A 54 1.323 -7.468 -6.218 1.00 0.00 N ATOM 814 CA GLY A 54 0.640 -6.438 -5.454 1.00 0.00 C ATOM 815 C GLY A 54 1.588 -5.499 -4.737 1.00 0.00 C ATOM 816 O GLY A 54 1.259 -4.970 -3.676 1.00 0.00 O ATOM 0 H GLY A 54 1.042 -7.527 -7.197 1.00 0.00 H new ATOM 0 HA2 GLY A 54 0.004 -5.860 -6.124 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -0.015 -6.911 -4.722 1.00 0.00 H new ATOM 820 N SER A 55 2.762 -5.288 -5.317 1.00 0.00 N ATOM 821 CA SER A 55 3.757 -4.404 -4.723 1.00 0.00 C ATOM 822 C SER A 55 3.556 -2.967 -5.194 1.00 0.00 C ATOM 823 O SER A 55 4.191 -2.524 -6.152 1.00 0.00 O ATOM 824 CB SER A 55 5.167 -4.876 -5.071 1.00 0.00 C ATOM 825 OG SER A 55 5.348 -4.955 -6.474 1.00 0.00 O ATOM 0 H SER A 55 3.049 -5.716 -6.197 1.00 0.00 H new ATOM 0 HA SER A 55 3.632 -4.434 -3.641 1.00 0.00 H new ATOM 0 HB2 SER A 55 5.899 -4.190 -4.645 1.00 0.00 H new ATOM 0 HB3 SER A 55 5.348 -5.853 -4.623 1.00 0.00 H new ATOM 0 HG SER A 55 5.406 -5.895 -6.744 1.00 0.00 H new ATOM 831 N LEU A 56 2.674 -2.246 -4.513 1.00 0.00 N ATOM 832 CA LEU A 56 2.393 -0.857 -4.858 1.00 0.00 C ATOM 833 C LEU A 56 3.664 -0.020 -4.793 1.00 0.00 C ATOM 834 O LEU A 56 3.827 0.943 -5.542 1.00 0.00 O ATOM 835 CB LEU A 56 1.334 -0.280 -3.913 1.00 0.00 C ATOM 836 CG LEU A 56 -0.095 -0.779 -4.143 1.00 0.00 C ATOM 837 CD1 LEU A 56 -1.081 0.070 -3.358 1.00 0.00 C ATOM 838 CD2 LEU A 56 -0.444 -0.773 -5.626 1.00 0.00 C ATOM 0 H LEU A 56 2.141 -2.600 -3.719 1.00 0.00 H new ATOM 0 HA LEU A 56 2.011 -0.827 -5.878 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.621 -0.513 -2.888 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.341 0.806 -4.007 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.159 -1.808 -3.788 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.093 -0.295 -3.530 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.849 0.008 -2.295 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.009 1.107 -3.685 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.464 -1.132 -5.761 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.362 0.242 -6.015 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.244 -1.425 -6.164 1.00 0.00 H new ATOM 850 N GLY A 57 4.564 -0.397 -3.892 1.00 0.00 N ATOM 851 CA GLY A 57 5.813 0.324 -3.745 1.00 0.00 C ATOM 852 C GLY A 57 5.621 1.694 -3.128 1.00 0.00 C ATOM 853 O GLY A 57 4.538 2.015 -2.637 1.00 0.00 O ATOM 0 H GLY A 57 4.450 -1.190 -3.261 1.00 0.00 H new ATOM 0 HA2 GLY A 57 6.494 -0.258 -3.125 1.00 0.00 H new ATOM 0 HA3 GLY A 57 6.284 0.432 -4.722 1.00 0.00 H new ATOM 857 N TYR A 58 6.676 2.502 -3.142 1.00 0.00 N ATOM 858 CA TYR A 58 6.615 3.843 -2.564 1.00 0.00 C ATOM 859 C TYR A 58 5.567 4.706 -3.255 1.00 0.00 C ATOM 860 O TYR A 58 5.675 5.010 -4.443 1.00 0.00 O ATOM 861 CB TYR A 58 7.970 4.568 -2.634 1.00 0.00 C ATOM 862 CG TYR A 58 9.172 3.667 -2.826 1.00 0.00 C ATOM 863 CD1 TYR A 58 9.594 3.300 -4.099 1.00 0.00 C ATOM 864 CD2 TYR A 58 9.890 3.190 -1.736 1.00 0.00 C ATOM 865 CE1 TYR A 58 10.693 2.482 -4.280 1.00 0.00 C ATOM 866 CE2 TYR A 58 10.991 2.371 -1.911 1.00 0.00 C ATOM 867 CZ TYR A 58 11.387 2.021 -3.183 1.00 0.00 C ATOM 868 OH TYR A 58 12.482 1.207 -3.361 1.00 0.00 O ATOM 0 H TYR A 58 7.580 2.255 -3.545 1.00 0.00 H new ATOM 0 HA TYR A 58 6.341 3.702 -1.518 1.00 0.00 H new ATOM 0 HB2 TYR A 58 7.939 5.285 -3.454 1.00 0.00 H new ATOM 0 HB3 TYR A 58 8.107 5.139 -1.716 1.00 0.00 H new ATOM 0 HD1 TYR A 58 9.053 3.661 -4.962 1.00 0.00 H new ATOM 0 HD2 TYR A 58 9.584 3.463 -0.737 1.00 0.00 H new ATOM 0 HE1 TYR A 58 11.006 2.206 -5.276 1.00 0.00 H new ATOM 0 HE2 TYR A 58 11.538 2.007 -1.054 1.00 0.00 H new ATOM 0 HH TYR A 58 12.859 0.971 -2.488 1.00 0.00 H new ATOM 878 N PHE A 59 4.580 5.135 -2.482 1.00 0.00 N ATOM 879 CA PHE A 59 3.534 6.012 -2.981 1.00 0.00 C ATOM 880 C PHE A 59 3.433 7.225 -2.074 1.00 0.00 C ATOM 881 O PHE A 59 3.955 7.218 -0.962 1.00 0.00 O ATOM 882 CB PHE A 59 2.190 5.292 -3.054 1.00 0.00 C ATOM 883 CG PHE A 59 1.942 4.615 -4.373 1.00 0.00 C ATOM 884 CD1 PHE A 59 2.219 5.268 -5.563 1.00 0.00 C ATOM 885 CD2 PHE A 59 1.431 3.328 -4.422 1.00 0.00 C ATOM 886 CE1 PHE A 59 1.992 4.652 -6.779 1.00 0.00 C ATOM 887 CE2 PHE A 59 1.203 2.706 -5.635 1.00 0.00 C ATOM 888 CZ PHE A 59 1.483 3.369 -6.814 1.00 0.00 C ATOM 0 H PHE A 59 4.483 4.886 -1.498 1.00 0.00 H new ATOM 0 HA PHE A 59 3.792 6.325 -3.993 1.00 0.00 H new ATOM 0 HB2 PHE A 59 2.142 4.548 -2.258 1.00 0.00 H new ATOM 0 HB3 PHE A 59 1.392 6.010 -2.868 1.00 0.00 H new ATOM 0 HD1 PHE A 59 2.618 6.272 -5.540 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.209 2.806 -3.503 1.00 0.00 H new ATOM 0 HE1 PHE A 59 2.212 5.173 -7.699 1.00 0.00 H new ATOM 0 HE2 PHE A 59 0.806 1.702 -5.661 1.00 0.00 H new ATOM 0 HZ PHE A 59 1.304 2.884 -7.762 1.00 0.00 H new ATOM 898 N GLY A 60 2.775 8.267 -2.543 1.00 0.00 N ATOM 899 CA GLY A 60 2.649 9.467 -1.738 1.00 0.00 C ATOM 900 C GLY A 60 1.263 10.081 -1.816 1.00 0.00 C ATOM 901 O GLY A 60 0.356 9.503 -2.413 1.00 0.00 O ATOM 0 H GLY A 60 2.327 8.309 -3.459 1.00 0.00 H new ATOM 0 HA2 GLY A 60 2.879 9.229 -0.699 1.00 0.00 H new ATOM 0 HA3 GLY A 60 3.386 10.200 -2.067 1.00 0.00 H new ATOM 905 N ARG A 61 1.099 11.250 -1.206 1.00 0.00 N ATOM 906 CA ARG A 61 -0.180 11.936 -1.201 1.00 0.00 C ATOM 907 C ARG A 61 -0.449 12.548 -2.562 1.00 0.00 C ATOM 908 O ARG A 61 -0.177 13.725 -2.796 1.00 0.00 O ATOM 909 CB ARG A 61 -0.208 13.020 -0.121 1.00 0.00 C ATOM 910 CG ARG A 61 0.862 14.086 -0.291 1.00 0.00 C ATOM 911 CD ARG A 61 1.185 14.768 1.029 1.00 0.00 C ATOM 912 NE ARG A 61 2.252 14.083 1.754 1.00 0.00 N ATOM 913 CZ ARG A 61 3.547 14.227 1.479 1.00 0.00 C ATOM 914 NH1 ARG A 61 3.939 15.027 0.494 1.00 0.00 N ATOM 915 NH2 ARG A 61 4.453 13.570 2.191 1.00 0.00 N ATOM 0 H ARG A 61 1.842 11.741 -0.708 1.00 0.00 H new ATOM 0 HA ARG A 61 -0.960 11.208 -0.979 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -1.187 13.498 -0.125 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.087 12.550 0.855 1.00 0.00 H new ATOM 0 HG2 ARG A 61 1.766 13.634 -0.699 1.00 0.00 H new ATOM 0 HG3 ARG A 61 0.524 14.830 -1.013 1.00 0.00 H new ATOM 0 HD2 ARG A 61 1.480 15.800 0.841 1.00 0.00 H new ATOM 0 HD3 ARG A 61 0.289 14.800 1.649 1.00 0.00 H new ATOM 0 HE ARG A 61 1.990 13.457 2.516 1.00 0.00 H new ATOM 0 HH11 ARG A 61 3.247 15.535 -0.056 1.00 0.00 H new ATOM 0 HH12 ARG A 61 4.932 15.133 0.288 1.00 0.00 H new ATOM 0 HH21 ARG A 61 4.158 12.955 2.949 1.00 0.00 H new ATOM 0 HH22 ARG A 61 5.445 13.680 1.981 1.00 0.00 H new ATOM 929 N GLY A 62 -0.984 11.735 -3.459 1.00 0.00 N ATOM 930 CA GLY A 62 -1.277 12.211 -4.788 1.00 0.00 C ATOM 931 C GLY A 62 -1.119 11.139 -5.852 1.00 0.00 C ATOM 932 O GLY A 62 -0.670 11.423 -6.960 1.00 0.00 O ATOM 0 H GLY A 62 -1.219 10.757 -3.289 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.298 12.593 -4.814 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -0.618 13.047 -5.022 1.00 0.00 H new ATOM 936 N LYS A 63 -1.487 9.904 -5.516 1.00 0.00 N ATOM 937 CA LYS A 63 -1.375 8.796 -6.456 1.00 0.00 C ATOM 938 C LYS A 63 -2.615 7.906 -6.418 1.00 0.00 C ATOM 939 O LYS A 63 -3.178 7.568 -7.460 1.00 0.00 O ATOM 940 CB LYS A 63 -0.128 7.965 -6.152 1.00 0.00 C ATOM 941 CG LYS A 63 1.154 8.566 -6.707 1.00 0.00 C ATOM 942 CD LYS A 63 1.554 7.913 -8.020 1.00 0.00 C ATOM 943 CE LYS A 63 0.972 8.656 -9.211 1.00 0.00 C ATOM 944 NZ LYS A 63 1.931 9.650 -9.768 1.00 0.00 N ATOM 0 H LYS A 63 -1.864 9.648 -4.603 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.290 9.218 -7.457 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.030 7.854 -5.072 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.259 6.965 -6.564 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.019 9.637 -6.859 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.957 8.446 -5.980 1.00 0.00 H new ATOM 0 HD2 LYS A 63 2.641 7.890 -8.100 1.00 0.00 H new ATOM 0 HD3 LYS A 63 1.211 6.878 -8.032 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.699 7.941 -9.987 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.056 9.164 -8.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 1.496 10.135 -10.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 2.172 10.348 -9.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.795 9.162 -10.079 1.00 0.00 H new ATOM 958 N MET A 64 -3.036 7.521 -5.215 1.00 0.00 N ATOM 959 CA MET A 64 -4.207 6.663 -5.060 1.00 0.00 C ATOM 960 C MET A 64 -5.391 7.435 -4.482 1.00 0.00 C ATOM 961 O MET A 64 -5.249 8.573 -4.035 1.00 0.00 O ATOM 962 CB MET A 64 -3.874 5.462 -4.169 1.00 0.00 C ATOM 963 CG MET A 64 -3.481 5.839 -2.750 1.00 0.00 C ATOM 964 SD MET A 64 -2.328 4.665 -2.013 1.00 0.00 S ATOM 965 CE MET A 64 -0.849 5.668 -1.896 1.00 0.00 C ATOM 0 H MET A 64 -2.587 7.788 -4.339 1.00 0.00 H new ATOM 0 HA MET A 64 -4.490 6.304 -6.050 1.00 0.00 H new ATOM 0 HB2 MET A 64 -4.738 4.799 -4.132 1.00 0.00 H new ATOM 0 HB3 MET A 64 -3.059 4.899 -4.624 1.00 0.00 H new ATOM 0 HG2 MET A 64 -3.030 6.831 -2.754 1.00 0.00 H new ATOM 0 HG3 MET A 64 -4.377 5.898 -2.133 1.00 0.00 H new ATOM 0 HE1 MET A 64 0.028 5.021 -1.875 1.00 0.00 H new ATOM 0 HE2 MET A 64 -0.790 6.331 -2.759 1.00 0.00 H new ATOM 0 HE3 MET A 64 -0.884 6.262 -0.983 1.00 0.00 H new ATOM 975 N VAL A 65 -6.563 6.804 -4.504 1.00 0.00 N ATOM 976 CA VAL A 65 -7.786 7.421 -3.994 1.00 0.00 C ATOM 977 C VAL A 65 -7.619 7.896 -2.550 1.00 0.00 C ATOM 978 O VAL A 65 -6.701 7.473 -1.848 1.00 0.00 O ATOM 979 CB VAL A 65 -8.975 6.445 -4.078 1.00 0.00 C ATOM 980 CG1 VAL A 65 -9.257 6.067 -5.524 1.00 0.00 C ATOM 981 CG2 VAL A 65 -8.704 5.205 -3.241 1.00 0.00 C ATOM 0 H VAL A 65 -6.692 5.861 -4.871 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.989 8.288 -4.623 1.00 0.00 H new ATOM 0 HB VAL A 65 -9.859 6.943 -3.679 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -10.100 5.377 -5.562 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -9.496 6.964 -6.095 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -8.377 5.588 -5.953 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -9.554 4.526 -3.311 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -7.808 4.705 -3.610 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -8.555 5.494 -2.200 1.00 0.00 H new ATOM 991 N LYS A 66 -8.509 8.787 -2.122 1.00 0.00 N ATOM 992 CA LYS A 66 -8.466 9.342 -0.769 1.00 0.00 C ATOM 993 C LYS A 66 -8.637 8.268 0.311 1.00 0.00 C ATOM 994 O LYS A 66 -7.872 8.231 1.273 1.00 0.00 O ATOM 995 CB LYS A 66 -9.546 10.414 -0.612 1.00 0.00 C ATOM 996 CG LYS A 66 -8.995 11.780 -0.227 1.00 0.00 C ATOM 997 CD LYS A 66 -9.246 12.811 -1.316 1.00 0.00 C ATOM 998 CE LYS A 66 -10.464 13.667 -1.003 1.00 0.00 C ATOM 999 NZ LYS A 66 -11.095 14.205 -2.239 1.00 0.00 N ATOM 0 H LYS A 66 -9.274 9.143 -2.695 1.00 0.00 H new ATOM 0 HA LYS A 66 -7.479 9.784 -0.632 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -10.096 10.504 -1.549 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -10.259 10.092 0.147 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -9.458 12.111 0.702 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -7.924 11.701 -0.039 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -8.369 13.449 -1.423 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -9.391 12.305 -2.271 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -11.193 13.073 -0.452 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -10.171 14.493 -0.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -11.921 14.783 -1.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -10.407 14.792 -2.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -11.398 13.416 -2.846 1.00 0.00 H new ATOM 1013 N PRO A 67 -9.645 7.382 0.182 1.00 0.00 N ATOM 1014 CA PRO A 67 -9.886 6.331 1.173 1.00 0.00 C ATOM 1015 C PRO A 67 -8.723 5.359 1.256 1.00 0.00 C ATOM 1016 O PRO A 67 -8.317 4.943 2.341 1.00 0.00 O ATOM 1017 CB PRO A 67 -11.140 5.608 0.671 1.00 0.00 C ATOM 1018 CG PRO A 67 -11.331 6.033 -0.744 1.00 0.00 C ATOM 1019 CD PRO A 67 -10.615 7.343 -0.922 1.00 0.00 C ATOM 0 HA PRO A 67 -10.004 6.747 2.174 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -11.019 4.527 0.739 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -12.008 5.870 1.276 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -10.933 5.282 -1.427 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -12.391 6.141 -0.972 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -10.117 7.396 -1.890 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -11.307 8.184 -0.873 1.00 0.00 H new ATOM 1027 N PHE A 68 -8.199 5.001 0.097 1.00 0.00 N ATOM 1028 CA PHE A 68 -7.079 4.072 0.019 1.00 0.00 C ATOM 1029 C PHE A 68 -5.789 4.745 0.475 1.00 0.00 C ATOM 1030 O PHE A 68 -5.077 4.228 1.336 1.00 0.00 O ATOM 1031 CB PHE A 68 -6.924 3.547 -1.409 1.00 0.00 C ATOM 1032 CG PHE A 68 -6.136 2.275 -1.505 1.00 0.00 C ATOM 1033 CD1 PHE A 68 -6.645 1.087 -1.006 1.00 0.00 C ATOM 1034 CD2 PHE A 68 -4.885 2.265 -2.100 1.00 0.00 C ATOM 1035 CE1 PHE A 68 -5.920 -0.088 -1.099 1.00 0.00 C ATOM 1036 CE2 PHE A 68 -4.157 1.095 -2.195 1.00 0.00 C ATOM 1037 CZ PHE A 68 -4.675 -0.082 -1.694 1.00 0.00 C ATOM 0 H PHE A 68 -8.530 5.339 -0.807 1.00 0.00 H new ATOM 0 HA PHE A 68 -7.283 3.232 0.683 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -7.914 3.383 -1.835 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -6.438 4.311 -2.016 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -7.619 1.078 -0.539 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -4.474 3.183 -2.494 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -6.328 -1.008 -0.707 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -3.183 1.101 -2.661 1.00 0.00 H new ATOM 0 HZ PHE A 68 -4.107 -0.997 -1.768 1.00 0.00 H new ATOM 1047 N GLU A 69 -5.496 5.905 -0.104 1.00 0.00 N ATOM 1048 CA GLU A 69 -4.293 6.653 0.245 1.00 0.00 C ATOM 1049 C GLU A 69 -4.287 7.006 1.728 1.00 0.00 C ATOM 1050 O GLU A 69 -3.232 7.073 2.359 1.00 0.00 O ATOM 1051 CB GLU A 69 -4.203 7.931 -0.592 1.00 0.00 C ATOM 1052 CG GLU A 69 -2.792 8.480 -0.714 1.00 0.00 C ATOM 1053 CD GLU A 69 -2.570 9.711 0.142 1.00 0.00 C ATOM 1054 OE1 GLU A 69 -3.469 10.578 0.179 1.00 0.00 O ATOM 1055 OE2 GLU A 69 -1.498 9.809 0.775 1.00 0.00 O ATOM 0 H GLU A 69 -6.075 6.348 -0.817 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.428 6.024 0.033 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.593 7.730 -1.590 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.843 8.693 -0.147 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -2.079 7.708 -0.425 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.590 8.726 -1.757 1.00 0.00 H new ATOM 1062 N ASP A 70 -5.475 7.237 2.278 1.00 0.00 N ATOM 1063 CA ASP A 70 -5.612 7.587 3.686 1.00 0.00 C ATOM 1064 C ASP A 70 -5.090 6.469 4.584 1.00 0.00 C ATOM 1065 O ASP A 70 -4.317 6.713 5.509 1.00 0.00 O ATOM 1066 CB ASP A 70 -7.077 7.880 4.020 1.00 0.00 C ATOM 1067 CG ASP A 70 -7.423 9.347 3.865 1.00 0.00 C ATOM 1068 OD1 ASP A 70 -6.680 10.062 3.159 1.00 0.00 O ATOM 1069 OD2 ASP A 70 -8.436 9.783 4.450 1.00 0.00 O ATOM 0 H ASP A 70 -6.357 7.188 1.769 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.016 8.481 3.869 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -7.721 7.287 3.370 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -7.283 7.567 5.044 1.00 0.00 H new ATOM 1074 N ALA A 71 -5.520 5.244 4.303 1.00 0.00 N ATOM 1075 CA ALA A 71 -5.099 4.087 5.085 1.00 0.00 C ATOM 1076 C ALA A 71 -3.663 3.678 4.762 1.00 0.00 C ATOM 1077 O ALA A 71 -3.082 2.833 5.444 1.00 0.00 O ATOM 1078 CB ALA A 71 -6.049 2.922 4.846 1.00 0.00 C ATOM 0 H ALA A 71 -6.160 5.026 3.539 1.00 0.00 H new ATOM 0 HA ALA A 71 -5.131 4.366 6.138 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -5.726 2.063 5.434 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -7.058 3.208 5.144 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -6.044 2.660 3.788 1.00 0.00 H new ATOM 1084 N ALA A 72 -3.095 4.275 3.718 1.00 0.00 N ATOM 1085 CA ALA A 72 -1.730 3.962 3.306 1.00 0.00 C ATOM 1086 C ALA A 72 -0.716 4.361 4.377 1.00 0.00 C ATOM 1087 O ALA A 72 0.169 3.581 4.728 1.00 0.00 O ATOM 1088 CB ALA A 72 -1.406 4.655 1.991 1.00 0.00 C ATOM 0 H ALA A 72 -3.558 4.978 3.142 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.662 2.883 3.168 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -0.385 4.414 1.694 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -2.098 4.315 1.220 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -1.502 5.734 2.115 1.00 0.00 H new ATOM 1094 N PHE A 73 -0.848 5.581 4.889 1.00 0.00 N ATOM 1095 CA PHE A 73 0.061 6.086 5.915 1.00 0.00 C ATOM 1096 C PHE A 73 -0.478 5.821 7.319 1.00 0.00 C ATOM 1097 O PHE A 73 -0.025 6.427 8.290 1.00 0.00 O ATOM 1098 CB PHE A 73 0.291 7.586 5.724 1.00 0.00 C ATOM 1099 CG PHE A 73 -0.977 8.362 5.507 1.00 0.00 C ATOM 1100 CD1 PHE A 73 -1.837 8.617 6.563 1.00 0.00 C ATOM 1101 CD2 PHE A 73 -1.310 8.831 4.247 1.00 0.00 C ATOM 1102 CE1 PHE A 73 -3.007 9.326 6.366 1.00 0.00 C ATOM 1103 CE2 PHE A 73 -2.478 9.541 4.043 1.00 0.00 C ATOM 1104 CZ PHE A 73 -3.326 9.789 5.103 1.00 0.00 C ATOM 0 H PHE A 73 -1.576 6.239 4.611 1.00 0.00 H new ATOM 0 HA PHE A 73 1.008 5.556 5.809 1.00 0.00 H new ATOM 0 HB2 PHE A 73 0.805 7.982 6.600 1.00 0.00 H new ATOM 0 HB3 PHE A 73 0.952 7.739 4.871 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -1.590 8.258 7.551 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -0.649 8.640 3.414 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -3.670 9.518 7.196 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -2.727 9.901 3.056 1.00 0.00 H new ATOM 0 HZ PHE A 73 -4.239 10.345 4.946 1.00 0.00 H new ATOM 1114 N ARG A 74 -1.448 4.917 7.424 1.00 0.00 N ATOM 1115 CA ARG A 74 -2.044 4.583 8.711 1.00 0.00 C ATOM 1116 C ARG A 74 -1.461 3.287 9.270 1.00 0.00 C ATOM 1117 O ARG A 74 -1.457 3.069 10.482 1.00 0.00 O ATOM 1118 CB ARG A 74 -3.563 4.454 8.571 1.00 0.00 C ATOM 1119 CG ARG A 74 -4.341 5.278 9.583 1.00 0.00 C ATOM 1120 CD ARG A 74 -5.810 5.375 9.209 1.00 0.00 C ATOM 1121 NE ARG A 74 -6.531 6.324 10.055 1.00 0.00 N ATOM 1122 CZ ARG A 74 -6.487 7.644 9.892 1.00 0.00 C ATOM 1123 NH1 ARG A 74 -5.758 8.175 8.917 1.00 0.00 N ATOM 1124 NH2 ARG A 74 -7.174 8.435 10.703 1.00 0.00 N ATOM 0 H ARG A 74 -1.837 4.404 6.633 1.00 0.00 H new ATOM 0 HA ARG A 74 -1.813 5.389 9.408 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -3.854 4.760 7.566 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -3.841 3.406 8.678 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -4.245 4.828 10.571 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -3.913 6.279 9.645 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -5.899 5.679 8.166 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -6.271 4.391 9.294 1.00 0.00 H new ATOM 0 HE ARG A 74 -7.101 5.953 10.815 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -5.229 7.570 8.289 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -5.728 9.187 8.796 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -7.737 8.032 11.452 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -7.140 9.447 10.578 1.00 0.00 H new ATOM 1138 N LEU A 75 -0.977 2.426 8.380 1.00 0.00 N ATOM 1139 CA LEU A 75 -0.398 1.152 8.791 1.00 0.00 C ATOM 1140 C LEU A 75 1.125 1.205 8.782 1.00 0.00 C ATOM 1141 O LEU A 75 1.780 0.403 8.118 1.00 0.00 O ATOM 1142 CB LEU A 75 -0.878 0.033 7.869 1.00 0.00 C ATOM 1143 CG LEU A 75 -2.346 0.111 7.462 1.00 0.00 C ATOM 1144 CD1 LEU A 75 -2.685 -1.050 6.548 1.00 0.00 C ATOM 1145 CD2 LEU A 75 -3.242 0.110 8.691 1.00 0.00 C ATOM 0 H LEU A 75 -0.974 2.587 7.373 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.727 0.951 9.810 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -0.267 0.040 6.967 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.705 -0.923 8.364 1.00 0.00 H new ATOM 0 HG LEU A 75 -2.517 1.043 6.924 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.734 -0.991 6.259 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.060 -1.005 5.656 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.505 -1.989 7.071 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -4.285 0.166 8.381 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.081 -0.807 9.258 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.003 0.970 9.316 1.00 0.00 H new ATOM 1157 N GLN A 76 1.685 2.147 9.529 1.00 0.00 N ATOM 1158 CA GLN A 76 3.132 2.286 9.607 1.00 0.00 C ATOM 1159 C GLN A 76 3.747 1.016 10.185 1.00 0.00 C ATOM 1160 O GLN A 76 4.858 0.629 9.822 1.00 0.00 O ATOM 1161 CB GLN A 76 3.507 3.501 10.455 1.00 0.00 C ATOM 1162 CG GLN A 76 3.382 4.818 9.704 1.00 0.00 C ATOM 1163 CD GLN A 76 4.356 5.867 10.201 1.00 0.00 C ATOM 1164 OE1 GLN A 76 4.122 6.514 11.222 1.00 0.00 O ATOM 1165 NE2 GLN A 76 5.456 6.043 9.479 1.00 0.00 N ATOM 0 H GLN A 76 1.162 2.823 10.087 1.00 0.00 H new ATOM 0 HA GLN A 76 3.526 2.438 8.602 1.00 0.00 H new ATOM 0 HB2 GLN A 76 2.868 3.531 11.337 1.00 0.00 H new ATOM 0 HB3 GLN A 76 4.532 3.387 10.808 1.00 0.00 H new ATOM 0 HG2 GLN A 76 3.552 4.644 8.642 1.00 0.00 H new ATOM 0 HG3 GLN A 76 2.364 5.195 9.806 1.00 0.00 H new ATOM 0 HE21 GLN A 76 5.610 5.485 8.639 1.00 0.00 H new ATOM 0 HE22 GLN A 76 6.148 6.737 9.764 1.00 0.00 H new ATOM 1174 N VAL A 77 2.999 0.360 11.066 1.00 0.00 N ATOM 1175 CA VAL A 77 3.446 -0.885 11.677 1.00 0.00 C ATOM 1176 C VAL A 77 3.618 -1.961 10.610 1.00 0.00 C ATOM 1177 O VAL A 77 4.408 -2.893 10.769 1.00 0.00 O ATOM 1178 CB VAL A 77 2.439 -1.377 12.745 1.00 0.00 C ATOM 1179 CG1 VAL A 77 1.017 -1.302 12.213 1.00 0.00 C ATOM 1180 CG2 VAL A 77 2.766 -2.797 13.197 1.00 0.00 C ATOM 0 H VAL A 77 2.078 0.672 11.373 1.00 0.00 H new ATOM 0 HA VAL A 77 4.403 -0.694 12.163 1.00 0.00 H new ATOM 0 HB VAL A 77 2.521 -0.720 13.611 1.00 0.00 H new ATOM 0 HG11 VAL A 77 0.324 -1.652 12.978 1.00 0.00 H new ATOM 0 HG12 VAL A 77 0.780 -0.270 11.953 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.927 -1.930 11.327 1.00 0.00 H new ATOM 0 HG21 VAL A 77 2.042 -3.116 13.947 1.00 0.00 H new ATOM 0 HG22 VAL A 77 2.722 -3.470 12.341 1.00 0.00 H new ATOM 0 HG23 VAL A 77 3.768 -2.821 13.626 1.00 0.00 H new ATOM 1190 N GLY A 78 2.864 -1.826 9.523 1.00 0.00 N ATOM 1191 CA GLY A 78 2.931 -2.788 8.444 1.00 0.00 C ATOM 1192 C GLY A 78 1.953 -3.909 8.631 1.00 0.00 C ATOM 1193 O GLY A 78 2.330 -5.042 8.927 1.00 0.00 O ATOM 0 H GLY A 78 2.205 -1.062 9.373 1.00 0.00 H new ATOM 0 HA2 GLY A 78 2.731 -2.286 7.497 1.00 0.00 H new ATOM 0 HA3 GLY A 78 3.941 -3.194 8.382 1.00 0.00 H new ATOM 1197 N GLU A 79 0.695 -3.580 8.480 1.00 0.00 N ATOM 1198 CA GLU A 79 -0.369 -4.538 8.652 1.00 0.00 C ATOM 1199 C GLU A 79 -1.457 -4.289 7.636 1.00 0.00 C ATOM 1200 O GLU A 79 -1.380 -3.336 6.866 1.00 0.00 O ATOM 1201 CB GLU A 79 -0.926 -4.405 10.055 1.00 0.00 C ATOM 1202 CG GLU A 79 -1.567 -5.667 10.588 1.00 0.00 C ATOM 1203 CD GLU A 79 -3.078 -5.572 10.663 1.00 0.00 C ATOM 1204 OE1 GLU A 79 -3.591 -5.006 11.652 1.00 0.00 O ATOM 1205 OE2 GLU A 79 -3.750 -6.064 9.732 1.00 0.00 O ATOM 0 H GLU A 79 0.379 -2.642 8.235 1.00 0.00 H new ATOM 0 HA GLU A 79 0.017 -5.547 8.505 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -0.121 -4.108 10.727 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -1.664 -3.603 10.067 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -1.292 -6.506 9.950 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -1.171 -5.879 11.581 1.00 0.00 H new ATOM 1212 N VAL A 80 -2.477 -5.125 7.636 1.00 0.00 N ATOM 1213 CA VAL A 80 -3.567 -4.933 6.707 1.00 0.00 C ATOM 1214 C VAL A 80 -4.489 -3.847 7.243 1.00 0.00 C ATOM 1215 O VAL A 80 -4.575 -3.641 8.454 1.00 0.00 O ATOM 1216 CB VAL A 80 -4.363 -6.231 6.456 1.00 0.00 C ATOM 1217 CG1 VAL A 80 -5.572 -5.959 5.569 1.00 0.00 C ATOM 1218 CG2 VAL A 80 -3.466 -7.289 5.828 1.00 0.00 C ATOM 0 H VAL A 80 -2.572 -5.928 8.257 1.00 0.00 H new ATOM 0 HA VAL A 80 -3.144 -4.633 5.748 1.00 0.00 H new ATOM 0 HB VAL A 80 -4.722 -6.605 7.415 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -6.119 -6.887 5.405 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -6.225 -5.234 6.056 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -5.238 -5.560 4.611 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -4.041 -8.199 5.657 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -3.079 -6.920 4.878 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -2.635 -7.506 6.499 1.00 0.00 H new ATOM 1228 N SER A 81 -5.146 -3.129 6.345 1.00 0.00 N ATOM 1229 CA SER A 81 -6.020 -2.039 6.752 1.00 0.00 C ATOM 1230 C SER A 81 -7.486 -2.414 6.633 1.00 0.00 C ATOM 1231 O SER A 81 -7.851 -3.392 5.980 1.00 0.00 O ATOM 1232 CB SER A 81 -5.745 -0.792 5.907 1.00 0.00 C ATOM 1233 OG SER A 81 -5.117 0.217 6.677 1.00 0.00 O ATOM 0 H SER A 81 -5.092 -3.279 5.338 1.00 0.00 H new ATOM 0 HA SER A 81 -5.806 -1.830 7.800 1.00 0.00 H new ATOM 0 HB2 SER A 81 -5.111 -1.055 5.060 1.00 0.00 H new ATOM 0 HB3 SER A 81 -6.681 -0.412 5.498 1.00 0.00 H new ATOM 0 HG SER A 81 -5.773 0.625 7.280 1.00 0.00 H new ATOM 1239 N GLU A 82 -8.318 -1.612 7.281 1.00 0.00 N ATOM 1240 CA GLU A 82 -9.756 -1.812 7.285 1.00 0.00 C ATOM 1241 C GLU A 82 -10.287 -1.989 5.859 1.00 0.00 C ATOM 1242 O GLU A 82 -9.606 -1.673 4.880 1.00 0.00 O ATOM 1243 CB GLU A 82 -10.415 -0.601 7.952 1.00 0.00 C ATOM 1244 CG GLU A 82 -10.226 0.670 7.155 1.00 0.00 C ATOM 1245 CD GLU A 82 -11.538 1.347 6.805 1.00 0.00 C ATOM 1246 OE1 GLU A 82 -12.490 1.248 7.607 1.00 0.00 O ATOM 1247 OE2 GLU A 82 -11.612 1.977 5.729 1.00 0.00 O ATOM 0 H GLU A 82 -8.012 -0.802 7.820 1.00 0.00 H new ATOM 0 HA GLU A 82 -9.994 -2.719 7.841 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -11.481 -0.793 8.077 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -9.997 -0.467 8.950 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -9.607 1.362 7.725 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -9.685 0.440 6.237 1.00 0.00 H new ATOM 1254 N PRO A 83 -11.518 -2.496 5.720 1.00 0.00 N ATOM 1255 CA PRO A 83 -12.134 -2.709 4.412 1.00 0.00 C ATOM 1256 C PRO A 83 -12.459 -1.399 3.712 1.00 0.00 C ATOM 1257 O PRO A 83 -13.433 -0.726 4.050 1.00 0.00 O ATOM 1258 CB PRO A 83 -13.416 -3.472 4.744 1.00 0.00 C ATOM 1259 CG PRO A 83 -13.733 -3.079 6.144 1.00 0.00 C ATOM 1260 CD PRO A 83 -12.406 -2.886 6.822 1.00 0.00 C ATOM 0 HA PRO A 83 -11.473 -3.242 3.729 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -14.225 -3.204 4.064 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -13.271 -4.549 4.657 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -14.323 -2.163 6.170 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -14.320 -3.850 6.644 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -12.455 -2.115 7.591 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -12.066 -3.800 7.309 1.00 0.00 H new ATOM 1268 N VAL A 84 -11.638 -1.040 2.735 1.00 0.00 N ATOM 1269 CA VAL A 84 -11.840 0.195 1.987 1.00 0.00 C ATOM 1270 C VAL A 84 -12.470 -0.084 0.628 1.00 0.00 C ATOM 1271 O VAL A 84 -11.796 -0.538 -0.295 1.00 0.00 O ATOM 1272 CB VAL A 84 -10.515 0.947 1.754 1.00 0.00 C ATOM 1273 CG1 VAL A 84 -10.760 2.216 0.953 1.00 0.00 C ATOM 1274 CG2 VAL A 84 -9.832 1.267 3.072 1.00 0.00 C ATOM 0 H VAL A 84 -10.827 -1.585 2.441 1.00 0.00 H new ATOM 0 HA VAL A 84 -12.506 0.812 2.590 1.00 0.00 H new ATOM 0 HB VAL A 84 -9.851 0.299 1.182 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -9.815 2.736 0.797 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -11.196 1.959 -0.012 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -11.445 2.865 1.499 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -8.900 1.798 2.879 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -10.487 1.893 3.679 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -9.619 0.341 3.606 1.00 0.00 H new ATOM 1284 N LYS A 85 -13.760 0.205 0.505 1.00 0.00 N ATOM 1285 CA LYS A 85 -14.465 -0.004 -0.750 1.00 0.00 C ATOM 1286 C LYS A 85 -14.598 1.308 -1.515 1.00 0.00 C ATOM 1287 O LYS A 85 -15.304 2.220 -1.084 1.00 0.00 O ATOM 1288 CB LYS A 85 -15.851 -0.598 -0.488 1.00 0.00 C ATOM 1289 CG LYS A 85 -16.438 -1.320 -1.690 1.00 0.00 C ATOM 1290 CD LYS A 85 -16.978 -0.342 -2.722 1.00 0.00 C ATOM 1291 CE LYS A 85 -17.683 -1.064 -3.859 1.00 0.00 C ATOM 1292 NZ LYS A 85 -18.162 -0.121 -4.906 1.00 0.00 N ATOM 0 H LYS A 85 -14.336 0.583 1.257 1.00 0.00 H new ATOM 0 HA LYS A 85 -13.888 -0.704 -1.354 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -15.787 -1.294 0.348 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -16.529 0.201 -0.187 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -15.673 -1.947 -2.148 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -17.239 -1.983 -1.362 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -17.672 0.348 -2.242 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -16.159 0.256 -3.122 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -17.002 -1.787 -4.307 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -18.529 -1.626 -3.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -18.514 -0.659 -5.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -18.930 0.465 -4.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -17.377 0.491 -5.207 1.00 0.00 H new ATOM 1306 N SER A 86 -13.915 1.398 -2.652 1.00 0.00 N ATOM 1307 CA SER A 86 -13.961 2.601 -3.473 1.00 0.00 C ATOM 1308 C SER A 86 -14.663 2.327 -4.799 1.00 0.00 C ATOM 1309 O SER A 86 -15.162 1.225 -5.030 1.00 0.00 O ATOM 1310 CB SER A 86 -12.546 3.127 -3.730 1.00 0.00 C ATOM 1311 OG SER A 86 -11.942 3.572 -2.528 1.00 0.00 O ATOM 0 H SER A 86 -13.325 0.654 -3.024 1.00 0.00 H new ATOM 0 HA SER A 86 -14.528 3.358 -2.931 1.00 0.00 H new ATOM 0 HB2 SER A 86 -11.938 2.341 -4.177 1.00 0.00 H new ATOM 0 HB3 SER A 86 -12.584 3.947 -4.447 1.00 0.00 H new ATOM 0 HG SER A 86 -11.052 3.171 -2.441 1.00 0.00 H new ATOM 1317 N GLU A 87 -14.701 3.335 -5.665 1.00 0.00 N ATOM 1318 CA GLU A 87 -15.344 3.203 -6.969 1.00 0.00 C ATOM 1319 C GLU A 87 -14.828 1.975 -7.717 1.00 0.00 C ATOM 1320 O GLU A 87 -15.523 1.417 -8.565 1.00 0.00 O ATOM 1321 CB GLU A 87 -15.104 4.461 -7.808 1.00 0.00 C ATOM 1322 CG GLU A 87 -13.635 4.810 -7.973 1.00 0.00 C ATOM 1323 CD GLU A 87 -13.426 6.220 -8.489 1.00 0.00 C ATOM 1324 OE1 GLU A 87 -13.459 7.163 -7.670 1.00 0.00 O ATOM 1325 OE2 GLU A 87 -13.228 6.381 -9.712 1.00 0.00 O ATOM 0 H GLU A 87 -14.294 4.253 -5.488 1.00 0.00 H new ATOM 0 HA GLU A 87 -16.414 3.079 -6.804 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -15.549 4.321 -8.793 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -15.619 5.302 -7.343 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -13.129 4.699 -7.014 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -13.172 4.103 -8.661 1.00 0.00 H new ATOM 1332 N PHE A 88 -13.607 1.561 -7.398 1.00 0.00 N ATOM 1333 CA PHE A 88 -13.001 0.401 -8.040 1.00 0.00 C ATOM 1334 C PHE A 88 -13.502 -0.897 -7.414 1.00 0.00 C ATOM 1335 O PHE A 88 -13.756 -1.877 -8.116 1.00 0.00 O ATOM 1336 CB PHE A 88 -11.476 0.480 -7.942 1.00 0.00 C ATOM 1337 CG PHE A 88 -10.834 1.162 -9.117 1.00 0.00 C ATOM 1338 CD1 PHE A 88 -10.736 0.515 -10.340 1.00 0.00 C ATOM 1339 CD2 PHE A 88 -10.333 2.447 -8.999 1.00 0.00 C ATOM 1340 CE1 PHE A 88 -10.148 1.142 -11.423 1.00 0.00 C ATOM 1341 CE2 PHE A 88 -9.743 3.078 -10.079 1.00 0.00 C ATOM 1342 CZ PHE A 88 -9.651 2.424 -11.292 1.00 0.00 C ATOM 0 H PHE A 88 -13.017 2.012 -6.698 1.00 0.00 H new ATOM 0 HA PHE A 88 -13.291 0.405 -9.091 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -11.206 1.013 -7.030 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -11.073 -0.529 -7.853 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -11.123 -0.488 -10.447 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -10.404 2.963 -8.053 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -10.077 0.629 -12.371 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -9.355 4.080 -9.974 1.00 0.00 H new ATOM 0 HZ PHE A 88 -9.191 2.914 -12.137 1.00 0.00 H new ATOM 1352 N GLY A 89 -13.644 -0.900 -6.092 1.00 0.00 N ATOM 1353 CA GLY A 89 -14.115 -2.088 -5.400 1.00 0.00 C ATOM 1354 C GLY A 89 -13.653 -2.147 -3.961 1.00 0.00 C ATOM 1355 O GLY A 89 -13.218 -1.144 -3.396 1.00 0.00 O ATOM 0 H GLY A 89 -13.442 -0.103 -5.488 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -15.204 -2.112 -5.429 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -13.762 -2.974 -5.927 1.00 0.00 H new ATOM 1359 N TYR A 90 -13.744 -3.331 -3.371 1.00 0.00 N ATOM 1360 CA TYR A 90 -13.331 -3.539 -1.997 1.00 0.00 C ATOM 1361 C TYR A 90 -11.814 -3.702 -1.936 1.00 0.00 C ATOM 1362 O TYR A 90 -11.276 -4.761 -2.259 1.00 0.00 O ATOM 1363 CB TYR A 90 -14.047 -4.772 -1.446 1.00 0.00 C ATOM 1364 CG TYR A 90 -14.921 -4.486 -0.247 1.00 0.00 C ATOM 1365 CD1 TYR A 90 -16.215 -4.011 -0.410 1.00 0.00 C ATOM 1366 CD2 TYR A 90 -14.458 -4.699 1.044 1.00 0.00 C ATOM 1367 CE1 TYR A 90 -17.024 -3.752 0.681 1.00 0.00 C ATOM 1368 CE2 TYR A 90 -15.261 -4.445 2.139 1.00 0.00 C ATOM 1369 CZ TYR A 90 -16.542 -3.971 1.953 1.00 0.00 C ATOM 1370 OH TYR A 90 -17.344 -3.717 3.041 1.00 0.00 O ATOM 0 H TYR A 90 -14.104 -4.167 -3.831 1.00 0.00 H new ATOM 0 HA TYR A 90 -13.600 -2.678 -1.385 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -14.660 -5.207 -2.235 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -13.303 -5.520 -1.171 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -16.596 -3.841 -1.406 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -13.455 -5.069 1.195 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -18.028 -3.380 0.537 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -14.886 -4.617 3.137 1.00 0.00 H new ATOM 0 HH TYR A 90 -16.854 -3.925 3.864 1.00 0.00 H new ATOM 1380 N HIS A 91 -11.133 -2.625 -1.561 1.00 0.00 N ATOM 1381 CA HIS A 91 -9.678 -2.612 -1.502 1.00 0.00 C ATOM 1382 C HIS A 91 -9.128 -3.153 -0.186 1.00 0.00 C ATOM 1383 O HIS A 91 -9.829 -3.230 0.822 1.00 0.00 O ATOM 1384 CB HIS A 91 -9.165 -1.186 -1.717 1.00 0.00 C ATOM 1385 CG HIS A 91 -9.502 -0.622 -3.060 1.00 0.00 C ATOM 1386 ND1 HIS A 91 -10.779 -0.250 -3.421 1.00 0.00 N ATOM 1387 CD2 HIS A 91 -8.720 -0.360 -4.134 1.00 0.00 C ATOM 1388 CE1 HIS A 91 -10.769 0.216 -4.657 1.00 0.00 C ATOM 1389 NE2 HIS A 91 -9.531 0.161 -5.113 1.00 0.00 N ATOM 0 H HIS A 91 -11.570 -1.744 -1.292 1.00 0.00 H new ATOM 0 HA HIS A 91 -9.325 -3.272 -2.294 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -9.583 -0.539 -0.946 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -8.083 -1.176 -1.590 1.00 0.00 H new ATOM 0 HD1 HIS A 91 -11.604 -0.323 -2.826 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -7.656 -0.529 -4.207 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -11.627 0.580 -5.202 1.00 0.00 H new ATOM 1398 N VAL A 92 -7.846 -3.504 -0.224 1.00 0.00 N ATOM 1399 CA VAL A 92 -7.125 -4.021 0.931 1.00 0.00 C ATOM 1400 C VAL A 92 -5.674 -3.563 0.856 1.00 0.00 C ATOM 1401 O VAL A 92 -5.007 -3.767 -0.159 1.00 0.00 O ATOM 1402 CB VAL A 92 -7.175 -5.560 0.994 1.00 0.00 C ATOM 1403 CG1 VAL A 92 -6.530 -6.066 2.274 1.00 0.00 C ATOM 1404 CG2 VAL A 92 -8.610 -6.050 0.880 1.00 0.00 C ATOM 0 H VAL A 92 -7.274 -3.436 -1.066 1.00 0.00 H new ATOM 0 HA VAL A 92 -7.603 -3.635 1.832 1.00 0.00 H new ATOM 0 HB VAL A 92 -6.610 -5.959 0.151 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -6.576 -7.155 2.299 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -5.489 -5.746 2.308 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -7.062 -5.661 3.135 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -8.627 -7.139 0.926 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -9.200 -5.642 1.701 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -9.033 -5.720 -0.069 1.00 0.00 H new ATOM 1414 N ILE A 93 -5.194 -2.911 1.909 1.00 0.00 N ATOM 1415 CA ILE A 93 -3.828 -2.395 1.915 1.00 0.00 C ATOM 1416 C ILE A 93 -2.939 -3.098 2.939 1.00 0.00 C ATOM 1417 O ILE A 93 -3.237 -3.121 4.132 1.00 0.00 O ATOM 1418 CB ILE A 93 -3.794 -0.870 2.191 1.00 0.00 C ATOM 1419 CG1 ILE A 93 -5.213 -0.287 2.196 1.00 0.00 C ATOM 1420 CG2 ILE A 93 -2.927 -0.164 1.155 1.00 0.00 C ATOM 1421 CD1 ILE A 93 -5.256 1.227 2.203 1.00 0.00 C ATOM 0 H ILE A 93 -5.723 -2.728 2.762 1.00 0.00 H new ATOM 0 HA ILE A 93 -3.436 -2.596 0.918 1.00 0.00 H new ATOM 0 HB ILE A 93 -3.358 -0.708 3.177 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -5.748 -0.652 1.319 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -5.745 -0.660 3.071 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -2.912 0.906 1.361 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -1.911 -0.557 1.202 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -3.337 -0.336 0.160 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -6.293 1.562 2.206 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -4.751 1.601 3.094 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -4.754 1.609 1.314 1.00 0.00 H new ATOM 1433 N LYS A 94 -1.826 -3.640 2.452 1.00 0.00 N ATOM 1434 CA LYS A 94 -0.853 -4.320 3.299 1.00 0.00 C ATOM 1435 C LYS A 94 0.536 -3.741 3.033 1.00 0.00 C ATOM 1436 O LYS A 94 1.074 -3.877 1.935 1.00 0.00 O ATOM 1437 CB LYS A 94 -0.864 -5.826 3.038 1.00 0.00 C ATOM 1438 CG LYS A 94 -0.496 -6.658 4.257 1.00 0.00 C ATOM 1439 CD LYS A 94 0.905 -6.332 4.749 1.00 0.00 C ATOM 1440 CE LYS A 94 1.358 -7.306 5.826 1.00 0.00 C ATOM 1441 NZ LYS A 94 2.229 -8.379 5.273 1.00 0.00 N ATOM 0 H LYS A 94 -1.575 -3.620 1.464 1.00 0.00 H new ATOM 0 HA LYS A 94 -1.118 -4.162 4.344 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.856 -6.119 2.694 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -0.167 -6.051 2.231 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -1.215 -6.475 5.055 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -0.559 -7.717 4.009 1.00 0.00 H new ATOM 0 HD2 LYS A 94 1.602 -6.363 3.912 1.00 0.00 H new ATOM 0 HD3 LYS A 94 0.926 -5.316 5.143 1.00 0.00 H new ATOM 0 HE2 LYS A 94 1.898 -6.764 6.602 1.00 0.00 H new ATOM 0 HE3 LYS A 94 0.485 -7.755 6.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 2.516 -9.022 6.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 1.705 -8.913 4.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 3.075 -7.953 4.843 1.00 0.00 H new ATOM 1455 N ARG A 95 1.090 -3.057 4.029 1.00 0.00 N ATOM 1456 CA ARG A 95 2.391 -2.413 3.886 1.00 0.00 C ATOM 1457 C ARG A 95 3.483 -3.396 3.496 1.00 0.00 C ATOM 1458 O ARG A 95 3.586 -4.494 4.042 1.00 0.00 O ATOM 1459 CB ARG A 95 2.779 -1.707 5.184 1.00 0.00 C ATOM 1460 CG ARG A 95 3.574 -0.430 4.971 1.00 0.00 C ATOM 1461 CD ARG A 95 5.070 -0.702 4.947 1.00 0.00 C ATOM 1462 NE ARG A 95 5.819 0.276 5.734 1.00 0.00 N ATOM 1463 CZ ARG A 95 7.076 0.098 6.134 1.00 0.00 C ATOM 1464 NH1 ARG A 95 7.725 -1.019 5.827 1.00 0.00 N ATOM 1465 NH2 ARG A 95 7.685 1.037 6.845 1.00 0.00 N ATOM 0 H ARG A 95 0.658 -2.934 4.945 1.00 0.00 H new ATOM 0 HA ARG A 95 2.297 -1.684 3.081 1.00 0.00 H new ATOM 0 HB2 ARG A 95 1.874 -1.472 5.744 1.00 0.00 H new ATOM 0 HB3 ARG A 95 3.365 -2.391 5.798 1.00 0.00 H new ATOM 0 HG2 ARG A 95 3.273 0.035 4.032 1.00 0.00 H new ATOM 0 HG3 ARG A 95 3.345 0.279 5.766 1.00 0.00 H new ATOM 0 HD2 ARG A 95 5.262 -1.702 5.334 1.00 0.00 H new ATOM 0 HD3 ARG A 95 5.425 -0.686 3.916 1.00 0.00 H new ATOM 0 HE ARG A 95 5.351 1.145 5.992 1.00 0.00 H new ATOM 0 HH11 ARG A 95 7.260 -1.745 5.282 1.00 0.00 H new ATOM 0 HH12 ARG A 95 8.688 -1.151 6.136 1.00 0.00 H new ATOM 0 HH21 ARG A 95 7.190 1.896 7.086 1.00 0.00 H new ATOM 0 HH22 ARG A 95 8.648 0.900 7.151 1.00 0.00 H new ATOM 1479 N LEU A 96 4.301 -2.967 2.542 1.00 0.00 N ATOM 1480 CA LEU A 96 5.401 -3.749 2.044 1.00 0.00 C ATOM 1481 C LEU A 96 6.447 -2.825 1.426 1.00 0.00 C ATOM 1482 O LEU A 96 6.186 -2.132 0.443 1.00 0.00 O ATOM 1483 CB LEU A 96 4.894 -4.765 1.017 1.00 0.00 C ATOM 1484 CG LEU A 96 5.084 -4.384 -0.458 1.00 0.00 C ATOM 1485 CD1 LEU A 96 6.522 -4.635 -0.897 1.00 0.00 C ATOM 1486 CD2 LEU A 96 4.109 -5.154 -1.336 1.00 0.00 C ATOM 0 H LEU A 96 4.209 -2.055 2.095 1.00 0.00 H new ATOM 0 HA LEU A 96 5.863 -4.296 2.866 1.00 0.00 H new ATOM 0 HB2 LEU A 96 5.400 -5.714 1.194 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.832 -4.932 1.195 1.00 0.00 H new ATOM 0 HG LEU A 96 4.877 -3.320 -0.569 1.00 0.00 H new ATOM 0 HD11 LEU A 96 6.636 -4.359 -1.945 1.00 0.00 H new ATOM 0 HD12 LEU A 96 7.198 -4.035 -0.288 1.00 0.00 H new ATOM 0 HD13 LEU A 96 6.762 -5.691 -0.772 1.00 0.00 H new ATOM 0 HD21 LEU A 96 4.257 -4.872 -2.378 1.00 0.00 H new ATOM 0 HD22 LEU A 96 4.283 -6.224 -1.221 1.00 0.00 H new ATOM 0 HD23 LEU A 96 3.087 -4.919 -1.038 1.00 0.00 H new ATOM 1498 N GLY A 97 7.625 -2.818 2.011 1.00 0.00 N ATOM 1499 CA GLY A 97 8.697 -1.983 1.510 1.00 0.00 C ATOM 1500 C GLY A 97 10.066 -2.474 1.939 1.00 0.00 C ATOM 1501 O GLY A 97 10.246 -2.756 3.141 1.00 0.00 O ATOM 1502 OXT GLY A 97 10.958 -2.575 1.070 1.00 0.00 O ATOM 0 H GLY A 97 7.865 -3.377 2.829 1.00 0.00 H new ATOM 0 HA2 GLY A 97 8.651 -1.952 0.421 1.00 0.00 H new ATOM 0 HA3 GLY A 97 8.554 -0.962 1.864 1.00 0.00 H new TER 1506 GLY A 97