USER MOD reduce.3.24.130724 H: found=0, std=0, add=819, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 822 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: B 62 GLN :FLIP amide:sc= -2.71! C(o=-5.6!,f=-2.3!) USER MOD Set 1.2: B 65 SER OG : rot 109:sc= 0.397 USER MOD Set 2.1: B 55 THR OG1 : rot 117:sc= 0.513 USER MOD Set 2.2: B 57 SER OG : rot 180:sc= 0.469 USER MOD Set 3.1: B 25 ASN : amide:sc= -0.485 K(o=-0.17,f=-14!) USER MOD Set 3.2: B 29 LYS NZ :NH3+ -108:sc= 0.315 (180deg=-0.136) USER MOD Set 4.1: B 7 THR OG1 : rot 110:sc= 0.45 USER MOD Set 4.2: B 9 THR OG1 : rot 180:sc= 0.509 USER MOD Set 5.1: A 270 SER OG : rot 78:sc= 1.07 USER MOD Set 5.2: B 68 HIS : no HD1:sc= -0.155 X(o=0.92,f=0.71) USER MOD Single : A 255 TYR OH : rot 180:sc= 0 USER MOD Single : A 265 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 272 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 274 SER OG : rot 140:sc= -0.449 USER MOD Single : A 276 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 277 SER OG : rot 180:sc= 0 USER MOD Single : B 1 MET CE :methyl 174:sc= -0.76 (180deg=-0.899) USER MOD Single : B 1 MET N :NH3+ -178:sc= 1.07 (180deg=1.04) USER MOD Single : B 2 GLN :FLIP amide:sc= 0 F(o=-1.2!,f=0) USER MOD Single : B 6 LYS NZ :NH3+ 165:sc= -0.0405 (180deg=-0.307) USER MOD Single : B 11 LYS NZ :NH3+ -165:sc= -0.0614 (180deg=-0.369) USER MOD Single : B 12 THR OG1 : rot 180:sc= 0 USER MOD Single : B 14 THR OG1 : rot -25:sc= 1.39 USER MOD Single : B 19 SER OG : rot 170:sc= -0.44 USER MOD Single : B 20 SER OG : rot 180:sc= 0 USER MOD Single : B 22 THR OG1 : rot 180:sc= 0 USER MOD Single : B 27 LYS NZ :NH3+ 157:sc= 0.0355 (180deg=-0.2) USER MOD Single : B 28 SER OG : rot 180:sc= 0 USER MOD Single : B 31 GLN : amide:sc= -1.46 K(o=-1.5,f=-5.4!) USER MOD Single : B 33 LYS NZ :NH3+ -167:sc= -0.0471 (180deg=-0.244) USER MOD Single : B 40 GLN : amide:sc= -3.05! C(o=-3!,f=-7!) USER MOD Single : B 41 GLN : amide:sc= -0.873 K(o=-0.87,f=-4.7!) USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 49 GLN : amide:sc= -2.28! C(o=-2.3!,f=-5.5!) USER MOD Single : B 59 TYR OH : rot 0:sc= 0.66 USER MOD Single : B 60 ASN : amide:sc= -0.512 K(o=-0.51,f=-2.5) USER MOD Single : B 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 66 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 255 26.482 -1.236 -2.977 1.00 0.00 N ATOM 2 CA TYR A 255 25.392 -0.921 -2.017 1.00 0.00 C ATOM 3 C TYR A 255 24.022 -1.033 -2.689 1.00 0.00 C ATOM 4 O TYR A 255 23.304 -0.042 -2.825 1.00 0.00 O ATOM 5 CB TYR A 255 25.611 0.495 -1.475 1.00 0.00 C ATOM 6 CG TYR A 255 24.654 0.883 -0.367 1.00 0.00 C ATOM 7 CD1 TYR A 255 24.434 0.041 0.717 1.00 0.00 C ATOM 8 CD2 TYR A 255 23.973 2.093 -0.406 1.00 0.00 C ATOM 9 CE1 TYR A 255 23.562 0.395 1.730 1.00 0.00 C ATOM 10 CE2 TYR A 255 23.101 2.454 0.604 1.00 0.00 C ATOM 11 CZ TYR A 255 22.898 1.601 1.669 1.00 0.00 C ATOM 12 OH TYR A 255 22.032 1.958 2.677 1.00 0.00 O ATOM 0 HA TYR A 255 25.413 -1.638 -1.196 1.00 0.00 H new ATOM 0 HB2 TYR A 255 26.633 0.578 -1.105 1.00 0.00 H new ATOM 0 HB3 TYR A 255 25.510 1.207 -2.294 1.00 0.00 H new ATOM 0 HD1 TYR A 255 24.953 -0.905 0.769 1.00 0.00 H new ATOM 0 HD2 TYR A 255 24.127 2.763 -1.239 1.00 0.00 H new ATOM 0 HE1 TYR A 255 23.402 -0.271 2.565 1.00 0.00 H new ATOM 0 HE2 TYR A 255 22.581 3.400 0.560 1.00 0.00 H new ATOM 0 HH TYR A 255 21.648 2.838 2.482 1.00 0.00 H new ATOM 24 N PRO A 256 23.642 -2.250 -3.126 1.00 0.00 N ATOM 25 CA PRO A 256 22.354 -2.483 -3.790 1.00 0.00 C ATOM 26 C PRO A 256 21.180 -1.954 -2.974 1.00 0.00 C ATOM 27 O PRO A 256 21.109 -2.161 -1.762 1.00 0.00 O ATOM 28 CB PRO A 256 22.283 -4.007 -3.907 1.00 0.00 C ATOM 29 CG PRO A 256 23.703 -4.453 -3.905 1.00 0.00 C ATOM 30 CD PRO A 256 24.435 -3.490 -3.012 1.00 0.00 C ATOM 0 HA PRO A 256 22.290 -1.967 -4.748 1.00 0.00 H new ATOM 0 HB2 PRO A 256 21.730 -4.443 -3.075 1.00 0.00 H new ATOM 0 HB3 PRO A 256 21.774 -4.311 -4.822 1.00 0.00 H new ATOM 0 HG2 PRO A 256 23.791 -5.474 -3.534 1.00 0.00 H new ATOM 0 HG3 PRO A 256 24.117 -4.443 -4.913 1.00 0.00 H new ATOM 0 HD2 PRO A 256 24.476 -3.848 -1.983 1.00 0.00 H new ATOM 0 HD3 PRO A 256 25.464 -3.341 -3.339 1.00 0.00 H new ATOM 38 N GLU A 257 20.265 -1.263 -3.647 1.00 0.00 N ATOM 39 CA GLU A 257 19.096 -0.695 -2.987 1.00 0.00 C ATOM 40 C GLU A 257 18.228 -1.783 -2.355 1.00 0.00 C ATOM 41 O GLU A 257 17.983 -2.828 -2.958 1.00 0.00 O ATOM 42 CB GLU A 257 18.282 0.153 -3.976 1.00 0.00 C ATOM 43 CG GLU A 257 17.951 -0.543 -5.291 1.00 0.00 C ATOM 44 CD GLU A 257 16.889 -1.614 -5.146 1.00 0.00 C ATOM 45 OE1 GLU A 257 15.770 -1.281 -4.707 1.00 0.00 O ATOM 46 OE2 GLU A 257 17.176 -2.784 -5.477 1.00 0.00 O ATOM 0 H GLU A 257 20.311 -1.083 -4.650 1.00 0.00 H new ATOM 0 HA GLU A 257 19.444 -0.048 -2.182 1.00 0.00 H new ATOM 0 HB2 GLU A 257 17.351 0.453 -3.495 1.00 0.00 H new ATOM 0 HB3 GLU A 257 18.837 1.066 -4.193 1.00 0.00 H new ATOM 0 HG2 GLU A 257 17.613 0.200 -6.013 1.00 0.00 H new ATOM 0 HG3 GLU A 257 18.858 -0.992 -5.696 1.00 0.00 H new ATOM 53 N ASP A 258 17.779 -1.532 -1.126 1.00 0.00 N ATOM 54 CA ASP A 258 16.945 -2.488 -0.401 1.00 0.00 C ATOM 55 C ASP A 258 15.461 -2.210 -0.625 1.00 0.00 C ATOM 56 O ASP A 258 14.607 -2.737 0.088 1.00 0.00 O ATOM 57 CB ASP A 258 17.265 -2.450 1.096 1.00 0.00 C ATOM 58 CG ASP A 258 17.077 -1.070 1.700 1.00 0.00 C ATOM 59 OD1 ASP A 258 16.701 -0.140 0.956 1.00 0.00 O ATOM 60 OD2 ASP A 258 17.307 -0.920 2.918 1.00 0.00 O ATOM 0 H ASP A 258 17.979 -0.674 -0.612 1.00 0.00 H new ATOM 0 HA ASP A 258 17.167 -3.483 -0.788 1.00 0.00 H new ATOM 0 HB2 ASP A 258 16.625 -3.161 1.618 1.00 0.00 H new ATOM 0 HB3 ASP A 258 18.294 -2.773 1.252 1.00 0.00 H new ATOM 65 N GLU A 259 15.159 -1.378 -1.616 1.00 0.00 N ATOM 66 CA GLU A 259 13.776 -1.033 -1.934 1.00 0.00 C ATOM 67 C GLU A 259 13.046 -2.208 -2.572 1.00 0.00 C ATOM 68 O GLU A 259 11.915 -2.524 -2.202 1.00 0.00 O ATOM 69 CB GLU A 259 13.730 0.174 -2.871 1.00 0.00 C ATOM 70 CG GLU A 259 13.962 1.503 -2.172 1.00 0.00 C ATOM 71 CD GLU A 259 15.283 1.563 -1.431 1.00 0.00 C ATOM 72 OE1 GLU A 259 16.337 1.412 -2.082 1.00 0.00 O ATOM 73 OE2 GLU A 259 15.263 1.765 -0.199 1.00 0.00 O ATOM 0 H GLU A 259 15.853 -0.929 -2.214 1.00 0.00 H new ATOM 0 HA GLU A 259 13.274 -0.783 -1.000 1.00 0.00 H new ATOM 0 HB2 GLU A 259 14.483 0.047 -3.649 1.00 0.00 H new ATOM 0 HB3 GLU A 259 12.760 0.200 -3.368 1.00 0.00 H new ATOM 0 HG2 GLU A 259 13.929 2.305 -2.909 1.00 0.00 H new ATOM 0 HG3 GLU A 259 13.149 1.683 -1.469 1.00 0.00 H new ATOM 80 N GLU A 260 13.697 -2.847 -3.538 1.00 0.00 N ATOM 81 CA GLU A 260 13.109 -3.985 -4.235 1.00 0.00 C ATOM 82 C GLU A 260 12.842 -5.137 -3.274 1.00 0.00 C ATOM 83 O GLU A 260 11.759 -5.725 -3.282 1.00 0.00 O ATOM 84 CB GLU A 260 14.028 -4.448 -5.370 1.00 0.00 C ATOM 85 CG GLU A 260 14.234 -3.405 -6.460 1.00 0.00 C ATOM 86 CD GLU A 260 12.957 -3.073 -7.212 1.00 0.00 C ATOM 87 OE1 GLU A 260 11.912 -3.691 -6.918 1.00 0.00 O ATOM 88 OE2 GLU A 260 13.005 -2.197 -8.101 1.00 0.00 O ATOM 0 H GLU A 260 14.633 -2.596 -3.856 1.00 0.00 H new ATOM 0 HA GLU A 260 12.157 -3.665 -4.658 1.00 0.00 H new ATOM 0 HB2 GLU A 260 14.997 -4.719 -4.952 1.00 0.00 H new ATOM 0 HB3 GLU A 260 13.611 -5.350 -5.818 1.00 0.00 H new ATOM 0 HG2 GLU A 260 14.633 -2.494 -6.013 1.00 0.00 H new ATOM 0 HG3 GLU A 260 14.981 -3.768 -7.166 1.00 0.00 H new ATOM 95 N GLU A 261 13.833 -5.456 -2.447 1.00 0.00 N ATOM 96 CA GLU A 261 13.697 -6.540 -1.480 1.00 0.00 C ATOM 97 C GLU A 261 12.570 -6.243 -0.495 1.00 0.00 C ATOM 98 O GLU A 261 11.762 -7.114 -0.187 1.00 0.00 O ATOM 99 CB GLU A 261 15.014 -6.770 -0.729 1.00 0.00 C ATOM 100 CG GLU A 261 15.458 -5.592 0.122 1.00 0.00 C ATOM 101 CD GLU A 261 16.738 -5.874 0.882 1.00 0.00 C ATOM 102 OE1 GLU A 261 17.768 -6.145 0.230 1.00 0.00 O ATOM 103 OE2 GLU A 261 16.711 -5.825 2.130 1.00 0.00 O ATOM 0 H GLU A 261 14.736 -4.981 -2.427 1.00 0.00 H new ATOM 0 HA GLU A 261 13.450 -7.450 -2.026 1.00 0.00 H new ATOM 0 HB2 GLU A 261 14.907 -7.646 -0.090 1.00 0.00 H new ATOM 0 HB3 GLU A 261 15.797 -6.997 -1.452 1.00 0.00 H new ATOM 0 HG2 GLU A 261 15.603 -4.721 -0.517 1.00 0.00 H new ATOM 0 HG3 GLU A 261 14.667 -5.341 0.829 1.00 0.00 H new ATOM 110 N LEU A 262 12.516 -5.008 -0.011 1.00 0.00 N ATOM 111 CA LEU A 262 11.479 -4.603 0.932 1.00 0.00 C ATOM 112 C LEU A 262 10.097 -4.767 0.304 1.00 0.00 C ATOM 113 O LEU A 262 9.177 -5.317 0.918 1.00 0.00 O ATOM 114 CB LEU A 262 11.699 -3.147 1.356 1.00 0.00 C ATOM 115 CG LEU A 262 10.767 -2.637 2.456 1.00 0.00 C ATOM 116 CD1 LEU A 262 10.980 -3.420 3.743 1.00 0.00 C ATOM 117 CD2 LEU A 262 10.985 -1.150 2.693 1.00 0.00 C ATOM 0 H LEU A 262 13.177 -4.270 -0.255 1.00 0.00 H new ATOM 0 HA LEU A 262 11.536 -5.241 1.814 1.00 0.00 H new ATOM 0 HB2 LEU A 262 12.729 -3.037 1.696 1.00 0.00 H new ATOM 0 HB3 LEU A 262 11.582 -2.509 0.480 1.00 0.00 H new ATOM 0 HG LEU A 262 9.738 -2.786 2.130 1.00 0.00 H new ATOM 0 HD11 LEU A 262 10.308 -3.043 4.514 1.00 0.00 H new ATOM 0 HD12 LEU A 262 10.772 -4.475 3.565 1.00 0.00 H new ATOM 0 HD13 LEU A 262 12.012 -3.304 4.073 1.00 0.00 H new ATOM 0 HD21 LEU A 262 10.313 -0.805 3.479 1.00 0.00 H new ATOM 0 HD22 LEU A 262 12.018 -0.977 2.996 1.00 0.00 H new ATOM 0 HD23 LEU A 262 10.780 -0.601 1.774 1.00 0.00 H new ATOM 129 N ILE A 263 9.968 -4.297 -0.932 1.00 0.00 N ATOM 130 CA ILE A 263 8.714 -4.390 -1.667 1.00 0.00 C ATOM 131 C ILE A 263 8.229 -5.836 -1.758 1.00 0.00 C ATOM 132 O ILE A 263 7.073 -6.128 -1.443 1.00 0.00 O ATOM 133 CB ILE A 263 8.866 -3.792 -3.083 1.00 0.00 C ATOM 134 CG1 ILE A 263 8.703 -2.273 -3.041 1.00 0.00 C ATOM 135 CG2 ILE A 263 7.871 -4.414 -4.055 1.00 0.00 C ATOM 136 CD1 ILE A 263 9.033 -1.586 -4.350 1.00 0.00 C ATOM 0 H ILE A 263 10.723 -3.845 -1.448 1.00 0.00 H new ATOM 0 HA ILE A 263 7.968 -3.814 -1.119 1.00 0.00 H new ATOM 0 HB ILE A 263 9.869 -4.024 -3.441 1.00 0.00 H new ATOM 0 HG12 ILE A 263 7.676 -2.035 -2.765 1.00 0.00 H new ATOM 0 HG13 ILE A 263 9.345 -1.870 -2.258 1.00 0.00 H new ATOM 0 HG21 ILE A 263 8.003 -3.973 -5.043 1.00 0.00 H new ATOM 0 HG22 ILE A 263 8.042 -5.489 -4.112 1.00 0.00 H new ATOM 0 HG23 ILE A 263 6.856 -4.226 -3.706 1.00 0.00 H new ATOM 0 HD11 ILE A 263 8.894 -0.510 -4.242 1.00 0.00 H new ATOM 0 HD12 ILE A 263 10.069 -1.792 -4.618 1.00 0.00 H new ATOM 0 HD13 ILE A 263 8.374 -1.960 -5.133 1.00 0.00 H new ATOM 148 N ARG A 264 9.107 -6.745 -2.182 1.00 0.00 N ATOM 149 CA ARG A 264 8.724 -8.147 -2.291 1.00 0.00 C ATOM 150 C ARG A 264 8.396 -8.720 -0.920 1.00 0.00 C ATOM 151 O ARG A 264 7.522 -9.575 -0.799 1.00 0.00 O ATOM 152 CB ARG A 264 9.790 -8.982 -3.010 1.00 0.00 C ATOM 153 CG ARG A 264 11.167 -8.974 -2.363 1.00 0.00 C ATOM 154 CD ARG A 264 11.236 -9.893 -1.153 1.00 0.00 C ATOM 155 NE ARG A 264 12.582 -9.958 -0.590 1.00 0.00 N ATOM 156 CZ ARG A 264 12.893 -10.648 0.505 1.00 0.00 C ATOM 157 NH1 ARG A 264 11.952 -11.306 1.169 1.00 0.00 N ATOM 158 NH2 ARG A 264 14.146 -10.674 0.940 1.00 0.00 N ATOM 0 H ARG A 264 10.069 -6.539 -2.450 1.00 0.00 H new ATOM 0 HA ARG A 264 7.825 -8.196 -2.905 1.00 0.00 H new ATOM 0 HB2 ARG A 264 9.441 -10.013 -3.070 1.00 0.00 H new ATOM 0 HB3 ARG A 264 9.885 -8.617 -4.033 1.00 0.00 H new ATOM 0 HG2 ARG A 264 11.913 -9.283 -3.095 1.00 0.00 H new ATOM 0 HG3 ARG A 264 11.419 -7.958 -2.061 1.00 0.00 H new ATOM 0 HD2 ARG A 264 10.541 -9.541 -0.391 1.00 0.00 H new ATOM 0 HD3 ARG A 264 10.914 -10.894 -1.440 1.00 0.00 H new ATOM 0 HE ARG A 264 13.326 -9.445 -1.063 1.00 0.00 H new ATOM 0 HH11 ARG A 264 10.986 -11.284 0.841 1.00 0.00 H new ATOM 0 HH12 ARG A 264 12.194 -11.834 2.008 1.00 0.00 H new ATOM 0 HH21 ARG A 264 14.872 -10.165 0.435 1.00 0.00 H new ATOM 0 HH22 ARG A 264 14.384 -11.203 1.779 1.00 0.00 H new ATOM 172 N LYS A 265 9.072 -8.226 0.120 1.00 0.00 N ATOM 173 CA LYS A 265 8.791 -8.687 1.474 1.00 0.00 C ATOM 174 C LYS A 265 7.315 -8.475 1.751 1.00 0.00 C ATOM 175 O LYS A 265 6.627 -9.357 2.266 1.00 0.00 O ATOM 176 CB LYS A 265 9.626 -7.931 2.511 1.00 0.00 C ATOM 177 CG LYS A 265 11.112 -8.239 2.455 1.00 0.00 C ATOM 178 CD LYS A 265 11.877 -7.464 3.516 1.00 0.00 C ATOM 179 CE LYS A 265 13.373 -7.709 3.413 1.00 0.00 C ATOM 180 NZ LYS A 265 14.131 -6.984 4.470 1.00 0.00 N ATOM 0 H LYS A 265 9.804 -7.520 0.050 1.00 0.00 H new ATOM 0 HA LYS A 265 9.052 -9.742 1.551 1.00 0.00 H new ATOM 0 HB2 LYS A 265 9.482 -6.860 2.367 1.00 0.00 H new ATOM 0 HB3 LYS A 265 9.253 -8.171 3.507 1.00 0.00 H new ATOM 0 HG2 LYS A 265 11.270 -9.308 2.598 1.00 0.00 H new ATOM 0 HG3 LYS A 265 11.501 -7.989 1.468 1.00 0.00 H new ATOM 0 HD2 LYS A 265 11.673 -6.399 3.408 1.00 0.00 H new ATOM 0 HD3 LYS A 265 11.526 -7.757 4.506 1.00 0.00 H new ATOM 0 HE2 LYS A 265 13.572 -8.778 3.493 1.00 0.00 H new ATOM 0 HE3 LYS A 265 13.726 -7.392 2.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 265 15.147 -7.178 4.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 265 13.963 -5.962 4.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 265 13.813 -7.305 5.407 1.00 0.00 H new ATOM 194 N ALA A 266 6.833 -7.298 1.363 1.00 0.00 N ATOM 195 CA ALA A 266 5.431 -6.955 1.522 1.00 0.00 C ATOM 196 C ALA A 266 4.575 -7.887 0.676 1.00 0.00 C ATOM 197 O ALA A 266 3.490 -8.301 1.083 1.00 0.00 O ATOM 198 CB ALA A 266 5.192 -5.508 1.118 1.00 0.00 C ATOM 0 H ALA A 266 7.399 -6.565 0.935 1.00 0.00 H new ATOM 0 HA ALA A 266 5.154 -7.071 2.570 1.00 0.00 H new ATOM 0 HB1 ALA A 266 4.137 -5.265 1.242 1.00 0.00 H new ATOM 0 HB2 ALA A 266 5.792 -4.851 1.747 1.00 0.00 H new ATOM 0 HB3 ALA A 266 5.476 -5.370 0.075 1.00 0.00 H new ATOM 204 N ILE A 267 5.082 -8.206 -0.512 1.00 0.00 N ATOM 205 CA ILE A 267 4.383 -9.086 -1.438 1.00 0.00 C ATOM 206 C ILE A 267 4.147 -10.471 -0.834 1.00 0.00 C ATOM 207 O ILE A 267 3.021 -10.969 -0.823 1.00 0.00 O ATOM 208 CB ILE A 267 5.162 -9.233 -2.762 1.00 0.00 C ATOM 209 CG1 ILE A 267 5.252 -7.878 -3.471 1.00 0.00 C ATOM 210 CG2 ILE A 267 4.502 -10.270 -3.660 1.00 0.00 C ATOM 211 CD1 ILE A 267 6.001 -7.925 -4.785 1.00 0.00 C ATOM 0 H ILE A 267 5.980 -7.865 -0.855 1.00 0.00 H new ATOM 0 HA ILE A 267 3.416 -8.624 -1.639 1.00 0.00 H new ATOM 0 HB ILE A 267 6.172 -9.576 -2.538 1.00 0.00 H new ATOM 0 HG12 ILE A 267 4.244 -7.505 -3.651 1.00 0.00 H new ATOM 0 HG13 ILE A 267 5.742 -7.164 -2.809 1.00 0.00 H new ATOM 0 HG21 ILE A 267 5.066 -10.359 -4.588 1.00 0.00 H new ATOM 0 HG22 ILE A 267 4.486 -11.234 -3.152 1.00 0.00 H new ATOM 0 HG23 ILE A 267 3.481 -9.960 -3.884 1.00 0.00 H new ATOM 0 HD11 ILE A 267 6.023 -6.929 -5.227 1.00 0.00 H new ATOM 0 HD12 ILE A 267 7.021 -8.267 -4.610 1.00 0.00 H new ATOM 0 HD13 ILE A 267 5.499 -8.613 -5.465 1.00 0.00 H new ATOM 223 N GLU A 268 5.215 -11.089 -0.339 1.00 0.00 N ATOM 224 CA GLU A 268 5.127 -12.419 0.255 1.00 0.00 C ATOM 225 C GLU A 268 4.226 -12.420 1.487 1.00 0.00 C ATOM 226 O GLU A 268 3.368 -13.291 1.635 1.00 0.00 O ATOM 227 CB GLU A 268 6.521 -12.927 0.627 1.00 0.00 C ATOM 228 CG GLU A 268 7.480 -12.996 -0.552 1.00 0.00 C ATOM 229 CD GLU A 268 6.970 -13.886 -1.668 1.00 0.00 C ATOM 230 OE1 GLU A 268 6.751 -15.090 -1.415 1.00 0.00 O ATOM 231 OE2 GLU A 268 6.790 -13.380 -2.796 1.00 0.00 O ATOM 0 H GLU A 268 6.153 -10.689 -0.337 1.00 0.00 H new ATOM 0 HA GLU A 268 4.687 -13.086 -0.487 1.00 0.00 H new ATOM 0 HB2 GLU A 268 6.944 -12.275 1.391 1.00 0.00 H new ATOM 0 HB3 GLU A 268 6.431 -13.919 1.069 1.00 0.00 H new ATOM 0 HG2 GLU A 268 7.645 -11.991 -0.941 1.00 0.00 H new ATOM 0 HG3 GLU A 268 8.446 -13.367 -0.209 1.00 0.00 H new ATOM 238 N LEU A 269 4.426 -11.443 2.368 1.00 0.00 N ATOM 239 CA LEU A 269 3.629 -11.337 3.585 1.00 0.00 C ATOM 240 C LEU A 269 2.142 -11.268 3.255 1.00 0.00 C ATOM 241 O LEU A 269 1.324 -11.930 3.894 1.00 0.00 O ATOM 242 CB LEU A 269 4.045 -10.105 4.393 1.00 0.00 C ATOM 243 CG LEU A 269 5.450 -10.165 4.997 1.00 0.00 C ATOM 244 CD1 LEU A 269 5.799 -8.844 5.665 1.00 0.00 C ATOM 245 CD2 LEU A 269 5.552 -11.307 5.999 1.00 0.00 C ATOM 0 H LEU A 269 5.132 -10.715 2.261 1.00 0.00 H new ATOM 0 HA LEU A 269 3.809 -12.229 4.185 1.00 0.00 H new ATOM 0 HB2 LEU A 269 3.982 -9.229 3.748 1.00 0.00 H new ATOM 0 HB3 LEU A 269 3.326 -9.960 5.199 1.00 0.00 H new ATOM 0 HG LEU A 269 6.162 -10.346 4.192 1.00 0.00 H new ATOM 0 HD11 LEU A 269 6.801 -8.904 6.089 1.00 0.00 H new ATOM 0 HD12 LEU A 269 5.765 -8.043 4.927 1.00 0.00 H new ATOM 0 HD13 LEU A 269 5.081 -8.637 6.459 1.00 0.00 H new ATOM 0 HD21 LEU A 269 6.558 -11.334 6.418 1.00 0.00 H new ATOM 0 HD22 LEU A 269 4.829 -11.154 6.800 1.00 0.00 H new ATOM 0 HD23 LEU A 269 5.342 -12.251 5.497 1.00 0.00 H new ATOM 257 N SER A 270 1.800 -10.469 2.250 1.00 0.00 N ATOM 258 CA SER A 270 0.411 -10.323 1.833 1.00 0.00 C ATOM 259 C SER A 270 -0.143 -11.656 1.339 1.00 0.00 C ATOM 260 O SER A 270 -1.269 -12.030 1.669 1.00 0.00 O ATOM 261 CB SER A 270 0.291 -9.264 0.736 1.00 0.00 C ATOM 262 OG SER A 270 0.736 -7.999 1.197 1.00 0.00 O ATOM 0 H SER A 270 2.464 -9.914 1.710 1.00 0.00 H new ATOM 0 HA SER A 270 -0.173 -10.002 2.695 1.00 0.00 H new ATOM 0 HB2 SER A 270 0.879 -9.566 -0.131 1.00 0.00 H new ATOM 0 HB3 SER A 270 -0.746 -9.191 0.409 1.00 0.00 H new ATOM 0 HG SER A 270 1.716 -7.980 1.205 1.00 0.00 H new ATOM 268 N LEU A 271 0.659 -12.370 0.552 1.00 0.00 N ATOM 269 CA LEU A 271 0.253 -13.666 0.018 1.00 0.00 C ATOM 270 C LEU A 271 -0.112 -14.625 1.147 1.00 0.00 C ATOM 271 O LEU A 271 -1.114 -15.337 1.074 1.00 0.00 O ATOM 272 CB LEU A 271 1.377 -14.271 -0.827 1.00 0.00 C ATOM 273 CG LEU A 271 1.805 -13.440 -2.038 1.00 0.00 C ATOM 274 CD1 LEU A 271 2.978 -14.098 -2.747 1.00 0.00 C ATOM 275 CD2 LEU A 271 0.640 -13.253 -2.998 1.00 0.00 C ATOM 0 H LEU A 271 1.593 -12.072 0.271 1.00 0.00 H new ATOM 0 HA LEU A 271 -0.624 -13.512 -0.610 1.00 0.00 H new ATOM 0 HB2 LEU A 271 2.246 -14.426 -0.188 1.00 0.00 H new ATOM 0 HB3 LEU A 271 1.058 -15.253 -1.176 1.00 0.00 H new ATOM 0 HG LEU A 271 2.121 -12.458 -1.686 1.00 0.00 H new ATOM 0 HD11 LEU A 271 3.269 -13.494 -3.606 1.00 0.00 H new ATOM 0 HD12 LEU A 271 3.819 -14.180 -2.059 1.00 0.00 H new ATOM 0 HD13 LEU A 271 2.687 -15.093 -3.085 1.00 0.00 H new ATOM 0 HD21 LEU A 271 0.965 -12.659 -3.853 1.00 0.00 H new ATOM 0 HD22 LEU A 271 0.293 -14.227 -3.343 1.00 0.00 H new ATOM 0 HD23 LEU A 271 -0.174 -12.738 -2.487 1.00 0.00 H new ATOM 287 N LYS A 272 0.713 -14.635 2.189 1.00 0.00 N ATOM 288 CA LYS A 272 0.489 -15.503 3.340 1.00 0.00 C ATOM 289 C LYS A 272 -0.829 -15.167 4.032 1.00 0.00 C ATOM 290 O LYS A 272 -1.517 -16.055 4.537 1.00 0.00 O ATOM 291 CB LYS A 272 1.646 -15.376 4.334 1.00 0.00 C ATOM 292 CG LYS A 272 1.536 -16.314 5.526 1.00 0.00 C ATOM 293 CD LYS A 272 1.606 -17.772 5.099 1.00 0.00 C ATOM 294 CE LYS A 272 1.519 -18.708 6.293 1.00 0.00 C ATOM 295 NZ LYS A 272 1.607 -20.138 5.885 1.00 0.00 N ATOM 0 H LYS A 272 1.545 -14.050 2.260 1.00 0.00 H new ATOM 0 HA LYS A 272 0.437 -16.531 2.981 1.00 0.00 H new ATOM 0 HB2 LYS A 272 2.583 -15.573 3.814 1.00 0.00 H new ATOM 0 HB3 LYS A 272 1.692 -14.348 4.695 1.00 0.00 H new ATOM 0 HG2 LYS A 272 2.339 -16.102 6.232 1.00 0.00 H new ATOM 0 HG3 LYS A 272 0.597 -16.132 6.048 1.00 0.00 H new ATOM 0 HD2 LYS A 272 0.793 -17.988 4.406 1.00 0.00 H new ATOM 0 HD3 LYS A 272 2.538 -17.951 4.563 1.00 0.00 H new ATOM 0 HE2 LYS A 272 2.323 -18.480 6.993 1.00 0.00 H new ATOM 0 HE3 LYS A 272 0.580 -18.538 6.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 272 1.544 -20.744 6.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 272 0.825 -20.363 5.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 272 2.514 -20.307 5.405 1.00 0.00 H new ATOM 309 N GLU A 273 -1.171 -13.881 4.058 1.00 0.00 N ATOM 310 CA GLU A 273 -2.404 -13.429 4.696 1.00 0.00 C ATOM 311 C GLU A 273 -3.613 -14.173 4.136 1.00 0.00 C ATOM 312 O GLU A 273 -4.407 -14.738 4.889 1.00 0.00 O ATOM 313 CB GLU A 273 -2.585 -11.922 4.503 1.00 0.00 C ATOM 314 CG GLU A 273 -1.467 -11.085 5.107 1.00 0.00 C ATOM 315 CD GLU A 273 -1.375 -11.222 6.615 1.00 0.00 C ATOM 316 OE1 GLU A 273 -1.133 -12.348 7.098 1.00 0.00 O ATOM 317 OE2 GLU A 273 -1.543 -10.201 7.314 1.00 0.00 O ATOM 0 H GLU A 273 -0.612 -13.134 3.645 1.00 0.00 H new ATOM 0 HA GLU A 273 -2.328 -13.644 5.762 1.00 0.00 H new ATOM 0 HB2 GLU A 273 -2.651 -11.707 3.436 1.00 0.00 H new ATOM 0 HB3 GLU A 273 -3.533 -11.620 4.948 1.00 0.00 H new ATOM 0 HG2 GLU A 273 -0.517 -11.381 4.662 1.00 0.00 H new ATOM 0 HG3 GLU A 273 -1.626 -10.037 4.852 1.00 0.00 H new ATOM 324 N SER A 274 -3.746 -14.176 2.812 1.00 0.00 N ATOM 325 CA SER A 274 -4.858 -14.860 2.159 1.00 0.00 C ATOM 326 C SER A 274 -4.721 -16.371 2.313 1.00 0.00 C ATOM 327 O SER A 274 -3.678 -16.942 1.997 1.00 0.00 O ATOM 328 CB SER A 274 -4.917 -14.489 0.676 1.00 0.00 C ATOM 329 OG SER A 274 -5.995 -15.144 0.030 1.00 0.00 O ATOM 0 H SER A 274 -3.100 -13.714 2.172 1.00 0.00 H new ATOM 0 HA SER A 274 -5.784 -14.542 2.638 1.00 0.00 H new ATOM 0 HB2 SER A 274 -5.028 -13.410 0.572 1.00 0.00 H new ATOM 0 HB3 SER A 274 -3.979 -14.761 0.192 1.00 0.00 H new ATOM 0 HG SER A 274 -6.422 -14.527 -0.600 1.00 0.00 H new ATOM 335 N ARG A 275 -5.778 -17.013 2.803 1.00 0.00 N ATOM 336 CA ARG A 275 -5.764 -18.459 3.001 1.00 0.00 C ATOM 337 C ARG A 275 -5.936 -19.205 1.680 1.00 0.00 C ATOM 338 O ARG A 275 -5.114 -20.049 1.324 1.00 0.00 O ATOM 339 CB ARG A 275 -6.862 -18.874 3.982 1.00 0.00 C ATOM 340 CG ARG A 275 -6.884 -20.368 4.268 1.00 0.00 C ATOM 341 CD ARG A 275 -7.955 -20.728 5.285 1.00 0.00 C ATOM 342 NE ARG A 275 -7.975 -22.160 5.574 1.00 0.00 N ATOM 343 CZ ARG A 275 -8.814 -22.728 6.435 1.00 0.00 C ATOM 344 NH1 ARG A 275 -9.701 -21.988 7.088 1.00 0.00 N ATOM 345 NH2 ARG A 275 -8.767 -24.038 6.645 1.00 0.00 N ATOM 0 H ARG A 275 -6.651 -16.557 3.069 1.00 0.00 H new ATOM 0 HA ARG A 275 -4.792 -18.726 3.417 1.00 0.00 H new ATOM 0 HB2 ARG A 275 -6.725 -18.334 4.919 1.00 0.00 H new ATOM 0 HB3 ARG A 275 -7.830 -18.574 3.580 1.00 0.00 H new ATOM 0 HG2 ARG A 275 -7.063 -20.914 3.342 1.00 0.00 H new ATOM 0 HG3 ARG A 275 -5.909 -20.682 4.639 1.00 0.00 H new ATOM 0 HD2 ARG A 275 -7.780 -20.174 6.207 1.00 0.00 H new ATOM 0 HD3 ARG A 275 -8.931 -20.420 4.909 1.00 0.00 H new ATOM 0 HE ARG A 275 -7.307 -22.758 5.087 1.00 0.00 H new ATOM 0 HH11 ARG A 275 -9.740 -20.981 6.930 1.00 0.00 H new ATOM 0 HH12 ARG A 275 -10.344 -22.426 7.748 1.00 0.00 H new ATOM 0 HH21 ARG A 275 -8.086 -24.610 6.145 1.00 0.00 H new ATOM 0 HH22 ARG A 275 -9.411 -24.472 7.306 1.00 0.00 H new ATOM 359 N ASN A 276 -7.011 -18.896 0.960 1.00 0.00 N ATOM 360 CA ASN A 276 -7.286 -19.550 -0.316 1.00 0.00 C ATOM 361 C ASN A 276 -6.293 -19.111 -1.388 1.00 0.00 C ATOM 362 O ASN A 276 -5.574 -19.935 -1.953 1.00 0.00 O ATOM 363 CB ASN A 276 -8.714 -19.246 -0.771 1.00 0.00 C ATOM 364 CG ASN A 276 -9.057 -19.917 -2.087 1.00 0.00 C ATOM 365 OD1 ASN A 276 -9.012 -21.142 -2.203 1.00 0.00 O ATOM 366 ND2 ASN A 276 -9.402 -19.115 -3.088 1.00 0.00 N ATOM 0 H ASN A 276 -7.703 -18.200 1.237 1.00 0.00 H new ATOM 0 HA ASN A 276 -7.177 -20.625 -0.171 1.00 0.00 H new ATOM 0 HB2 ASN A 276 -9.415 -19.577 -0.004 1.00 0.00 H new ATOM 0 HB3 ASN A 276 -8.838 -18.168 -0.873 1.00 0.00 H new ATOM 0 HD21 ASN A 276 -9.643 -19.509 -3.997 1.00 0.00 H new ATOM 0 HD22 ASN A 276 -9.426 -18.105 -2.947 1.00 0.00 H new ATOM 373 N SER A 277 -6.260 -17.808 -1.660 1.00 0.00 N ATOM 374 CA SER A 277 -5.357 -17.253 -2.665 1.00 0.00 C ATOM 375 C SER A 277 -5.518 -15.740 -2.760 1.00 0.00 C ATOM 376 O SER A 277 -6.636 -15.225 -2.752 1.00 0.00 O ATOM 377 CB SER A 277 -5.621 -17.888 -4.033 1.00 0.00 C ATOM 378 OG SER A 277 -4.743 -17.367 -5.016 1.00 0.00 O ATOM 0 H SER A 277 -6.849 -17.116 -1.197 1.00 0.00 H new ATOM 0 HA SER A 277 -4.335 -17.478 -2.360 1.00 0.00 H new ATOM 0 HB2 SER A 277 -5.496 -18.969 -3.966 1.00 0.00 H new ATOM 0 HB3 SER A 277 -6.654 -17.704 -4.329 1.00 0.00 H new ATOM 0 HG SER A 277 -4.931 -17.790 -5.880 1.00 0.00 H new ATOM 384 N ALA A 278 -4.396 -15.033 -2.848 1.00 0.00 N ATOM 385 CA ALA A 278 -4.414 -13.578 -2.945 1.00 0.00 C ATOM 386 C ALA A 278 -5.176 -13.119 -4.183 1.00 0.00 C ATOM 387 O ALA A 278 -5.952 -12.146 -4.072 1.00 0.00 O ATOM 388 CB ALA A 278 -2.994 -13.033 -2.967 1.00 0.00 C ATOM 389 OXT ALA A 278 -4.990 -13.735 -5.254 1.00 0.00 O ATOM 0 H ALA A 278 -3.463 -15.444 -2.854 1.00 0.00 H new ATOM 0 HA ALA A 278 -4.929 -13.187 -2.067 1.00 0.00 H new ATOM 0 HB1 ALA A 278 -3.023 -11.946 -3.040 1.00 0.00 H new ATOM 0 HB2 ALA A 278 -2.479 -13.322 -2.051 1.00 0.00 H new ATOM 0 HB3 ALA A 278 -2.461 -13.440 -3.826 1.00 0.00 H new TER 395 ALA A 278 ATOM 396 N MET B 1 -15.003 3.369 2.847 1.00 0.00 N ATOM 397 CA MET B 1 -14.431 2.225 3.605 1.00 0.00 C ATOM 398 C MET B 1 -13.116 2.609 4.272 1.00 0.00 C ATOM 399 O MET B 1 -12.257 3.243 3.659 1.00 0.00 O ATOM 400 CB MET B 1 -14.215 1.057 2.641 1.00 0.00 C ATOM 401 CG MET B 1 -13.620 -0.175 3.303 1.00 0.00 C ATOM 402 SD MET B 1 -13.387 -1.540 2.148 1.00 0.00 S ATOM 403 CE MET B 1 -12.237 -0.808 0.985 1.00 0.00 C ATOM 0 H1 MET B 1 -15.914 3.089 2.432 1.00 0.00 H new ATOM 0 H2 MET B 1 -15.148 4.174 3.490 1.00 0.00 H new ATOM 0 H3 MET B 1 -14.347 3.646 2.089 1.00 0.00 H new ATOM 0 HA MET B 1 -15.126 1.936 4.393 1.00 0.00 H new ATOM 0 HB2 MET B 1 -15.169 0.790 2.187 1.00 0.00 H new ATOM 0 HB3 MET B 1 -13.557 1.379 1.834 1.00 0.00 H new ATOM 0 HG2 MET B 1 -12.661 0.085 3.750 1.00 0.00 H new ATOM 0 HG3 MET B 1 -14.273 -0.498 4.114 1.00 0.00 H new ATOM 0 HE1 MET B 1 -11.913 -1.563 0.269 1.00 0.00 H new ATOM 0 HE2 MET B 1 -12.727 0.009 0.454 1.00 0.00 H new ATOM 0 HE3 MET B 1 -11.371 -0.423 1.523 1.00 0.00 H new ATOM 415 N GLN B 2 -12.970 2.221 5.534 1.00 0.00 N ATOM 416 CA GLN B 2 -11.764 2.520 6.296 1.00 0.00 C ATOM 417 C GLN B 2 -10.637 1.548 5.957 1.00 0.00 C ATOM 418 O GLN B 2 -10.875 0.363 5.728 1.00 0.00 O ATOM 419 CB GLN B 2 -12.064 2.470 7.795 1.00 0.00 C ATOM 420 CG GLN B 2 -13.098 3.492 8.242 1.00 0.00 C ATOM 421 CD GLN B 2 -13.399 3.427 9.732 1.00 0.00 C ATOM 422 OE1 GLN B 2 -12.753 2.502 10.439 1.00 0.00 O flip ATOM 423 NE2 GLN B 2 -14.207 4.202 10.243 1.00 0.00 N flip ATOM 0 H GLN B 2 -13.675 1.697 6.052 1.00 0.00 H new ATOM 0 HA GLN B 2 -11.437 3.524 6.026 1.00 0.00 H new ATOM 0 HB2 GLN B 2 -12.416 1.472 8.054 1.00 0.00 H new ATOM 0 HB3 GLN B 2 -11.139 2.635 8.348 1.00 0.00 H new ATOM 0 HG2 GLN B 2 -12.743 4.492 7.993 1.00 0.00 H new ATOM 0 HG3 GLN B 2 -14.021 3.334 7.684 1.00 0.00 H new ATOM 0 HE21 GLN B 2 -14.682 4.897 9.667 1.00 0.00 H new ATOM 0 HE22 GLN B 2 -14.402 4.149 11.243 1.00 0.00 H new ATOM 432 N ILE B 3 -9.408 2.060 5.936 1.00 0.00 N ATOM 433 CA ILE B 3 -8.232 1.245 5.636 1.00 0.00 C ATOM 434 C ILE B 3 -7.009 1.776 6.377 1.00 0.00 C ATOM 435 O ILE B 3 -6.804 2.988 6.464 1.00 0.00 O ATOM 436 CB ILE B 3 -7.919 1.212 4.124 1.00 0.00 C ATOM 437 CG1 ILE B 3 -7.697 2.630 3.592 1.00 0.00 C ATOM 438 CG2 ILE B 3 -9.037 0.519 3.358 1.00 0.00 C ATOM 439 CD1 ILE B 3 -7.262 2.675 2.142 1.00 0.00 C ATOM 0 H ILE B 3 -9.200 3.041 6.124 1.00 0.00 H new ATOM 0 HA ILE B 3 -8.461 0.232 5.966 1.00 0.00 H new ATOM 0 HB ILE B 3 -7.002 0.642 3.976 1.00 0.00 H new ATOM 0 HG12 ILE B 3 -8.620 3.199 3.703 1.00 0.00 H new ATOM 0 HG13 ILE B 3 -6.942 3.124 4.204 1.00 0.00 H new ATOM 0 HG21 ILE B 3 -8.796 0.507 2.295 1.00 0.00 H new ATOM 0 HG22 ILE B 3 -9.144 -0.504 3.718 1.00 0.00 H new ATOM 0 HG23 ILE B 3 -9.972 1.058 3.512 1.00 0.00 H new ATOM 0 HD11 ILE B 3 -7.124 3.712 1.835 1.00 0.00 H new ATOM 0 HD12 ILE B 3 -6.322 2.135 2.027 1.00 0.00 H new ATOM 0 HD13 ILE B 3 -8.026 2.211 1.518 1.00 0.00 H new ATOM 451 N PHE B 4 -6.202 0.868 6.917 1.00 0.00 N ATOM 452 CA PHE B 4 -5.005 1.261 7.652 1.00 0.00 C ATOM 453 C PHE B 4 -3.753 1.197 6.788 1.00 0.00 C ATOM 454 O PHE B 4 -3.356 0.125 6.330 1.00 0.00 O ATOM 455 CB PHE B 4 -4.802 0.374 8.882 1.00 0.00 C ATOM 456 CG PHE B 4 -5.295 0.980 10.164 1.00 0.00 C ATOM 457 CD1 PHE B 4 -4.449 1.750 10.948 1.00 0.00 C ATOM 458 CD2 PHE B 4 -6.593 0.765 10.596 1.00 0.00 C ATOM 459 CE1 PHE B 4 -4.890 2.296 12.138 1.00 0.00 C ATOM 460 CE2 PHE B 4 -7.041 1.310 11.784 1.00 0.00 C ATOM 461 CZ PHE B 4 -6.188 2.076 12.556 1.00 0.00 C ATOM 0 H PHE B 4 -6.354 -0.139 6.860 1.00 0.00 H new ATOM 0 HA PHE B 4 -5.161 2.294 7.962 1.00 0.00 H new ATOM 0 HB2 PHE B 4 -5.314 -0.575 8.721 1.00 0.00 H new ATOM 0 HB3 PHE B 4 -3.740 0.150 8.984 1.00 0.00 H new ATOM 0 HD1 PHE B 4 -3.434 1.925 10.625 1.00 0.00 H new ATOM 0 HD2 PHE B 4 -7.262 0.165 9.998 1.00 0.00 H new ATOM 0 HE1 PHE B 4 -4.221 2.893 12.740 1.00 0.00 H new ATOM 0 HE2 PHE B 4 -8.056 1.138 12.109 1.00 0.00 H new ATOM 0 HZ PHE B 4 -6.536 2.502 13.485 1.00 0.00 H new ATOM 471 N VAL B 5 -3.109 2.344 6.611 1.00 0.00 N ATOM 472 CA VAL B 5 -1.871 2.413 5.854 1.00 0.00 C ATOM 473 C VAL B 5 -0.723 1.997 6.762 1.00 0.00 C ATOM 474 O VAL B 5 -0.685 2.390 7.926 1.00 0.00 O ATOM 475 CB VAL B 5 -1.612 3.833 5.316 1.00 0.00 C ATOM 476 CG1 VAL B 5 -0.325 3.875 4.505 1.00 0.00 C ATOM 477 CG2 VAL B 5 -2.791 4.310 4.483 1.00 0.00 C ATOM 0 H VAL B 5 -3.426 3.239 6.983 1.00 0.00 H new ATOM 0 HA VAL B 5 -1.949 1.743 4.998 1.00 0.00 H new ATOM 0 HB VAL B 5 -1.498 4.507 6.165 1.00 0.00 H new ATOM 0 HG11 VAL B 5 -0.161 4.887 4.135 1.00 0.00 H new ATOM 0 HG12 VAL B 5 0.513 3.580 5.137 1.00 0.00 H new ATOM 0 HG13 VAL B 5 -0.404 3.188 3.662 1.00 0.00 H new ATOM 0 HG21 VAL B 5 -2.591 5.315 4.111 1.00 0.00 H new ATOM 0 HG22 VAL B 5 -2.939 3.634 3.641 1.00 0.00 H new ATOM 0 HG23 VAL B 5 -3.690 4.324 5.099 1.00 0.00 H new ATOM 487 N LYS B 6 0.197 1.188 6.255 1.00 0.00 N ATOM 488 CA LYS B 6 1.306 0.728 7.081 1.00 0.00 C ATOM 489 C LYS B 6 2.612 0.627 6.306 1.00 0.00 C ATOM 490 O LYS B 6 2.673 0.037 5.226 1.00 0.00 O ATOM 491 CB LYS B 6 0.971 -0.629 7.701 1.00 0.00 C ATOM 492 CG LYS B 6 2.093 -1.203 8.552 1.00 0.00 C ATOM 493 CD LYS B 6 1.721 -2.559 9.127 1.00 0.00 C ATOM 494 CE LYS B 6 2.844 -3.128 9.979 1.00 0.00 C ATOM 495 NZ LYS B 6 3.182 -2.234 11.121 1.00 0.00 N ATOM 0 H LYS B 6 0.200 0.842 5.296 1.00 0.00 H new ATOM 0 HA LYS B 6 1.448 1.473 7.864 1.00 0.00 H new ATOM 0 HB2 LYS B 6 0.076 -0.528 8.315 1.00 0.00 H new ATOM 0 HB3 LYS B 6 0.733 -1.334 6.905 1.00 0.00 H new ATOM 0 HG2 LYS B 6 2.996 -1.298 7.949 1.00 0.00 H new ATOM 0 HG3 LYS B 6 2.324 -0.514 9.364 1.00 0.00 H new ATOM 0 HD2 LYS B 6 0.817 -2.465 9.729 1.00 0.00 H new ATOM 0 HD3 LYS B 6 1.493 -3.250 8.315 1.00 0.00 H new ATOM 0 HE2 LYS B 6 2.551 -4.107 10.359 1.00 0.00 H new ATOM 0 HE3 LYS B 6 3.729 -3.277 9.361 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 3.758 -2.756 11.812 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 3.718 -1.414 10.773 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 2.306 -1.907 11.577 1.00 0.00 H new ATOM 509 N THR B 7 3.661 1.189 6.895 1.00 0.00 N ATOM 510 CA THR B 7 4.990 1.155 6.303 1.00 0.00 C ATOM 511 C THR B 7 5.747 -0.072 6.798 1.00 0.00 C ATOM 512 O THR B 7 5.532 -0.522 7.923 1.00 0.00 O ATOM 513 CB THR B 7 5.797 2.421 6.648 1.00 0.00 C ATOM 514 OG1 THR B 7 5.956 2.531 8.068 1.00 0.00 O ATOM 515 CG2 THR B 7 5.107 3.667 6.113 1.00 0.00 C ATOM 0 H THR B 7 3.614 1.677 7.789 1.00 0.00 H new ATOM 0 HA THR B 7 4.869 1.109 5.221 1.00 0.00 H new ATOM 0 HB THR B 7 6.777 2.337 6.178 1.00 0.00 H new ATOM 0 HG1 THR B 7 6.891 2.361 8.307 1.00 0.00 H new ATOM 0 HG21 THR B 7 5.696 4.548 6.369 1.00 0.00 H new ATOM 0 HG22 THR B 7 5.015 3.595 5.029 1.00 0.00 H new ATOM 0 HG23 THR B 7 4.115 3.752 6.557 1.00 0.00 H new ATOM 523 N LEU B 8 6.621 -0.617 5.958 1.00 0.00 N ATOM 524 CA LEU B 8 7.399 -1.796 6.328 1.00 0.00 C ATOM 525 C LEU B 8 8.529 -1.435 7.292 1.00 0.00 C ATOM 526 O LEU B 8 9.685 -1.802 7.076 1.00 0.00 O ATOM 527 CB LEU B 8 7.964 -2.480 5.079 1.00 0.00 C ATOM 528 CG LEU B 8 6.918 -3.119 4.162 1.00 0.00 C ATOM 529 CD1 LEU B 8 7.578 -3.704 2.924 1.00 0.00 C ATOM 530 CD2 LEU B 8 6.143 -4.196 4.907 1.00 0.00 C ATOM 0 H LEU B 8 6.809 -0.263 5.020 1.00 0.00 H new ATOM 0 HA LEU B 8 6.730 -2.490 6.837 1.00 0.00 H new ATOM 0 HB2 LEU B 8 8.528 -1.745 4.505 1.00 0.00 H new ATOM 0 HB3 LEU B 8 8.669 -3.250 5.392 1.00 0.00 H new ATOM 0 HG LEU B 8 6.220 -2.344 3.847 1.00 0.00 H new ATOM 0 HD11 LEU B 8 6.818 -4.154 2.285 1.00 0.00 H new ATOM 0 HD12 LEU B 8 8.091 -2.913 2.377 1.00 0.00 H new ATOM 0 HD13 LEU B 8 8.299 -4.466 3.221 1.00 0.00 H new ATOM 0 HD21 LEU B 8 5.404 -4.640 4.240 1.00 0.00 H new ATOM 0 HD22 LEU B 8 6.832 -4.968 5.250 1.00 0.00 H new ATOM 0 HD23 LEU B 8 5.638 -3.753 5.765 1.00 0.00 H new ATOM 542 N THR B 9 8.184 -0.720 8.362 1.00 0.00 N ATOM 543 CA THR B 9 9.158 -0.311 9.365 1.00 0.00 C ATOM 544 C THR B 9 8.518 -0.253 10.750 1.00 0.00 C ATOM 545 O THR B 9 9.056 -0.800 11.713 1.00 0.00 O ATOM 546 CB THR B 9 9.768 1.067 9.040 1.00 0.00 C ATOM 547 OG1 THR B 9 8.730 2.048 8.925 1.00 0.00 O ATOM 548 CG2 THR B 9 10.574 1.020 7.749 1.00 0.00 C ATOM 0 H THR B 9 7.231 -0.412 8.554 1.00 0.00 H new ATOM 0 HA THR B 9 9.952 -1.058 9.356 1.00 0.00 H new ATOM 0 HB THR B 9 10.439 1.340 9.855 1.00 0.00 H new ATOM 0 HG1 THR B 9 9.126 2.921 8.720 1.00 0.00 H new ATOM 0 HG21 THR B 9 10.992 2.006 7.545 1.00 0.00 H new ATOM 0 HG22 THR B 9 11.383 0.297 7.851 1.00 0.00 H new ATOM 0 HG23 THR B 9 9.925 0.724 6.925 1.00 0.00 H new ATOM 556 N GLY B 10 7.364 0.408 10.844 1.00 0.00 N ATOM 557 CA GLY B 10 6.676 0.512 12.120 1.00 0.00 C ATOM 558 C GLY B 10 5.745 1.710 12.205 1.00 0.00 C ATOM 559 O GLY B 10 5.939 2.587 13.048 1.00 0.00 O ATOM 0 H GLY B 10 6.897 0.870 10.064 1.00 0.00 H new ATOM 0 HA2 GLY B 10 6.102 -0.399 12.290 1.00 0.00 H new ATOM 0 HA3 GLY B 10 7.415 0.577 12.919 1.00 0.00 H new ATOM 563 N LYS B 11 4.734 1.756 11.337 1.00 0.00 N ATOM 564 CA LYS B 11 3.786 2.868 11.339 1.00 0.00 C ATOM 565 C LYS B 11 2.462 2.484 10.679 1.00 0.00 C ATOM 566 O LYS B 11 2.442 1.890 9.600 1.00 0.00 O ATOM 567 CB LYS B 11 4.393 4.073 10.619 1.00 0.00 C ATOM 568 CG LYS B 11 3.546 5.334 10.709 1.00 0.00 C ATOM 569 CD LYS B 11 3.384 5.798 12.147 1.00 0.00 C ATOM 570 CE LYS B 11 2.585 7.089 12.229 1.00 0.00 C ATOM 571 NZ LYS B 11 3.243 8.197 11.481 1.00 0.00 N ATOM 0 H LYS B 11 4.552 1.043 10.630 1.00 0.00 H new ATOM 0 HA LYS B 11 3.580 3.126 12.378 1.00 0.00 H new ATOM 0 HB2 LYS B 11 5.378 4.277 11.039 1.00 0.00 H new ATOM 0 HB3 LYS B 11 4.541 3.820 9.569 1.00 0.00 H new ATOM 0 HG2 LYS B 11 4.008 6.126 10.120 1.00 0.00 H new ATOM 0 HG3 LYS B 11 2.564 5.145 10.274 1.00 0.00 H new ATOM 0 HD2 LYS B 11 2.884 5.022 12.727 1.00 0.00 H new ATOM 0 HD3 LYS B 11 4.366 5.948 12.595 1.00 0.00 H new ATOM 0 HE2 LYS B 11 1.585 6.923 11.828 1.00 0.00 H new ATOM 0 HE3 LYS B 11 2.466 7.377 13.274 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 2.820 9.105 11.762 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 4.260 8.207 11.699 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 3.109 8.054 10.460 1.00 0.00 H new ATOM 585 N THR B 12 1.362 2.837 11.345 1.00 0.00 N ATOM 586 CA THR B 12 0.023 2.549 10.857 1.00 0.00 C ATOM 587 C THR B 12 -0.904 3.742 11.090 1.00 0.00 C ATOM 588 O THR B 12 -0.827 4.398 12.129 1.00 0.00 O ATOM 589 CB THR B 12 -0.561 1.319 11.563 1.00 0.00 C ATOM 590 OG1 THR B 12 -0.434 1.459 12.983 1.00 0.00 O ATOM 591 CG2 THR B 12 0.133 0.046 11.104 1.00 0.00 C ATOM 0 H THR B 12 1.380 3.330 12.238 1.00 0.00 H new ATOM 0 HA THR B 12 0.098 2.350 9.788 1.00 0.00 H new ATOM 0 HB THR B 12 -1.617 1.248 11.302 1.00 0.00 H new ATOM 0 HG1 THR B 12 -0.811 0.670 13.425 1.00 0.00 H new ATOM 0 HG21 THR B 12 -0.300 -0.811 11.620 1.00 0.00 H new ATOM 0 HG22 THR B 12 0.001 -0.073 10.029 1.00 0.00 H new ATOM 0 HG23 THR B 12 1.197 0.108 11.334 1.00 0.00 H new ATOM 599 N ILE B 13 -1.771 4.028 10.116 1.00 0.00 N ATOM 600 CA ILE B 13 -2.696 5.158 10.224 1.00 0.00 C ATOM 601 C ILE B 13 -4.016 4.886 9.504 1.00 0.00 C ATOM 602 O ILE B 13 -4.034 4.344 8.400 1.00 0.00 O ATOM 603 CB ILE B 13 -2.078 6.443 9.636 1.00 0.00 C ATOM 604 CG1 ILE B 13 -0.788 6.804 10.374 1.00 0.00 C ATOM 605 CG2 ILE B 13 -3.077 7.591 9.703 1.00 0.00 C ATOM 606 CD1 ILE B 13 -0.074 8.004 9.797 1.00 0.00 C ATOM 0 H ILE B 13 -1.852 3.497 9.249 1.00 0.00 H new ATOM 0 HA ILE B 13 -2.890 5.292 11.288 1.00 0.00 H new ATOM 0 HB ILE B 13 -1.832 6.263 8.589 1.00 0.00 H new ATOM 0 HG12 ILE B 13 -1.021 7.000 11.421 1.00 0.00 H new ATOM 0 HG13 ILE B 13 -0.115 5.947 10.352 1.00 0.00 H new ATOM 0 HG21 ILE B 13 -2.626 8.491 9.284 1.00 0.00 H new ATOM 0 HG22 ILE B 13 -3.968 7.332 9.131 1.00 0.00 H new ATOM 0 HG23 ILE B 13 -3.353 7.773 10.742 1.00 0.00 H new ATOM 0 HD11 ILE B 13 0.831 8.200 10.372 1.00 0.00 H new ATOM 0 HD12 ILE B 13 0.191 7.805 8.759 1.00 0.00 H new ATOM 0 HD13 ILE B 13 -0.729 8.874 9.844 1.00 0.00 H new ATOM 618 N THR B 14 -5.118 5.286 10.135 1.00 0.00 N ATOM 619 CA THR B 14 -6.448 5.108 9.559 1.00 0.00 C ATOM 620 C THR B 14 -6.653 6.043 8.370 1.00 0.00 C ATOM 621 O THR B 14 -6.178 7.179 8.378 1.00 0.00 O ATOM 622 CB THR B 14 -7.553 5.389 10.598 1.00 0.00 C ATOM 623 OG1 THR B 14 -7.356 4.578 11.760 1.00 0.00 O ATOM 624 CG2 THR B 14 -8.931 5.113 10.015 1.00 0.00 C ATOM 0 H THR B 14 -5.115 5.738 11.050 1.00 0.00 H new ATOM 0 HA THR B 14 -6.516 4.070 9.232 1.00 0.00 H new ATOM 0 HB THR B 14 -7.495 6.442 10.875 1.00 0.00 H new ATOM 0 HG1 THR B 14 -6.846 3.777 11.517 1.00 0.00 H new ATOM 0 HG21 THR B 14 -9.692 5.319 10.767 1.00 0.00 H new ATOM 0 HG22 THR B 14 -9.095 5.754 9.149 1.00 0.00 H new ATOM 0 HG23 THR B 14 -8.995 4.068 9.711 1.00 0.00 H new ATOM 632 N LEU B 15 -7.370 5.568 7.356 1.00 0.00 N ATOM 633 CA LEU B 15 -7.640 6.378 6.173 1.00 0.00 C ATOM 634 C LEU B 15 -8.979 5.977 5.557 1.00 0.00 C ATOM 635 O LEU B 15 -9.196 4.815 5.216 1.00 0.00 O ATOM 636 CB LEU B 15 -6.505 6.220 5.152 1.00 0.00 C ATOM 637 CG LEU B 15 -6.393 7.333 4.100 1.00 0.00 C ATOM 638 CD1 LEU B 15 -7.654 7.424 3.255 1.00 0.00 C ATOM 639 CD2 LEU B 15 -6.101 8.671 4.768 1.00 0.00 C ATOM 0 H LEU B 15 -7.773 4.631 7.329 1.00 0.00 H new ATOM 0 HA LEU B 15 -7.695 7.426 6.466 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -5.561 6.161 5.693 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -6.636 5.269 4.635 1.00 0.00 H new ATOM 0 HG LEU B 15 -5.564 7.084 3.437 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -7.543 8.221 2.520 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -7.817 6.477 2.741 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -8.508 7.639 3.897 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -6.025 9.448 4.008 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -6.908 8.917 5.459 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -5.161 8.606 5.316 1.00 0.00 H new ATOM 651 N GLU B 16 -9.877 6.951 5.430 1.00 0.00 N ATOM 652 CA GLU B 16 -11.202 6.708 4.870 1.00 0.00 C ATOM 653 C GLU B 16 -11.236 6.989 3.370 1.00 0.00 C ATOM 654 O GLU B 16 -10.777 8.036 2.914 1.00 0.00 O ATOM 655 CB GLU B 16 -12.242 7.567 5.600 1.00 0.00 C ATOM 656 CG GLU B 16 -13.680 7.310 5.167 1.00 0.00 C ATOM 657 CD GLU B 16 -14.059 8.037 3.888 1.00 0.00 C ATOM 658 OE1 GLU B 16 -13.258 8.871 3.415 1.00 0.00 O ATOM 659 OE2 GLU B 16 -15.166 7.783 3.370 1.00 0.00 O ATOM 0 H GLU B 16 -9.710 7.918 5.708 1.00 0.00 H new ATOM 0 HA GLU B 16 -11.443 5.654 5.012 1.00 0.00 H new ATOM 0 HB2 GLU B 16 -12.159 7.385 6.672 1.00 0.00 H new ATOM 0 HB3 GLU B 16 -12.008 8.619 5.436 1.00 0.00 H new ATOM 0 HG2 GLU B 16 -13.824 6.239 5.025 1.00 0.00 H new ATOM 0 HG3 GLU B 16 -14.354 7.619 5.966 1.00 0.00 H new ATOM 666 N VAL B 17 -11.804 6.047 2.619 1.00 0.00 N ATOM 667 CA VAL B 17 -11.930 6.170 1.168 1.00 0.00 C ATOM 668 C VAL B 17 -13.024 5.252 0.634 1.00 0.00 C ATOM 669 O VAL B 17 -13.026 4.050 0.899 1.00 0.00 O ATOM 670 CB VAL B 17 -10.615 5.831 0.436 1.00 0.00 C ATOM 671 CG1 VAL B 17 -9.665 7.016 0.448 1.00 0.00 C ATOM 672 CG2 VAL B 17 -9.958 4.609 1.058 1.00 0.00 C ATOM 0 H VAL B 17 -12.188 5.181 2.997 1.00 0.00 H new ATOM 0 HA VAL B 17 -12.184 7.212 0.975 1.00 0.00 H new ATOM 0 HB VAL B 17 -10.854 5.602 -0.603 1.00 0.00 H new ATOM 0 HG11 VAL B 17 -8.746 6.751 -0.074 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -10.134 7.864 -0.051 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -9.432 7.285 1.478 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -9.032 4.385 0.529 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -9.738 4.809 2.107 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -10.633 3.756 0.985 1.00 0.00 H new ATOM 682 N GLU B 18 -13.947 5.828 -0.128 1.00 0.00 N ATOM 683 CA GLU B 18 -15.042 5.065 -0.712 1.00 0.00 C ATOM 684 C GLU B 18 -14.521 4.129 -1.796 1.00 0.00 C ATOM 685 O GLU B 18 -13.617 4.486 -2.551 1.00 0.00 O ATOM 686 CB GLU B 18 -16.094 6.008 -1.298 1.00 0.00 C ATOM 687 CG GLU B 18 -16.709 6.947 -0.274 1.00 0.00 C ATOM 688 CD GLU B 18 -17.747 7.873 -0.878 1.00 0.00 C ATOM 689 OE1 GLU B 18 -17.997 7.772 -2.098 1.00 0.00 O ATOM 690 OE2 GLU B 18 -18.311 8.700 -0.130 1.00 0.00 O ATOM 0 H GLU B 18 -13.958 6.822 -0.356 1.00 0.00 H new ATOM 0 HA GLU B 18 -15.502 4.468 0.075 1.00 0.00 H new ATOM 0 HB2 GLU B 18 -15.638 6.599 -2.092 1.00 0.00 H new ATOM 0 HB3 GLU B 18 -16.886 5.415 -1.756 1.00 0.00 H new ATOM 0 HG2 GLU B 18 -17.170 6.360 0.520 1.00 0.00 H new ATOM 0 HG3 GLU B 18 -15.921 7.543 0.186 1.00 0.00 H new ATOM 697 N SER B 19 -15.096 2.932 -1.865 1.00 0.00 N ATOM 698 CA SER B 19 -14.691 1.941 -2.858 1.00 0.00 C ATOM 699 C SER B 19 -14.656 2.552 -4.256 1.00 0.00 C ATOM 700 O SER B 19 -13.813 2.196 -5.080 1.00 0.00 O ATOM 701 CB SER B 19 -15.648 0.749 -2.837 1.00 0.00 C ATOM 702 OG SER B 19 -15.298 -0.203 -3.826 1.00 0.00 O ATOM 0 H SER B 19 -15.845 2.624 -1.245 1.00 0.00 H new ATOM 0 HA SER B 19 -13.687 1.600 -2.605 1.00 0.00 H new ATOM 0 HB2 SER B 19 -15.628 0.280 -1.853 1.00 0.00 H new ATOM 0 HB3 SER B 19 -16.668 1.094 -3.005 1.00 0.00 H new ATOM 0 HG SER B 19 -15.818 -1.022 -3.690 1.00 0.00 H new ATOM 708 N SER B 20 -15.581 3.470 -4.514 1.00 0.00 N ATOM 709 CA SER B 20 -15.667 4.134 -5.809 1.00 0.00 C ATOM 710 C SER B 20 -14.411 4.952 -6.106 1.00 0.00 C ATOM 711 O SER B 20 -13.964 5.019 -7.251 1.00 0.00 O ATOM 712 CB SER B 20 -16.899 5.040 -5.856 1.00 0.00 C ATOM 713 OG SER B 20 -18.089 4.296 -5.658 1.00 0.00 O ATOM 0 H SER B 20 -16.285 3.772 -3.840 1.00 0.00 H new ATOM 0 HA SER B 20 -15.754 3.361 -6.572 1.00 0.00 H new ATOM 0 HB2 SER B 20 -16.817 5.811 -5.089 1.00 0.00 H new ATOM 0 HB3 SER B 20 -16.942 5.551 -6.818 1.00 0.00 H new ATOM 0 HG SER B 20 -18.861 4.899 -5.691 1.00 0.00 H new ATOM 719 N ASP B 21 -13.851 5.582 -5.075 1.00 0.00 N ATOM 720 CA ASP B 21 -12.656 6.403 -5.239 1.00 0.00 C ATOM 721 C ASP B 21 -11.473 5.575 -5.726 1.00 0.00 C ATOM 722 O ASP B 21 -11.167 4.519 -5.172 1.00 0.00 O ATOM 723 CB ASP B 21 -12.302 7.098 -3.924 1.00 0.00 C ATOM 724 CG ASP B 21 -13.354 8.105 -3.505 1.00 0.00 C ATOM 725 OD1 ASP B 21 -14.523 7.704 -3.328 1.00 0.00 O ATOM 726 OD2 ASP B 21 -13.010 9.297 -3.356 1.00 0.00 O ATOM 0 H ASP B 21 -14.206 5.539 -4.120 1.00 0.00 H new ATOM 0 HA ASP B 21 -12.875 7.157 -5.995 1.00 0.00 H new ATOM 0 HB2 ASP B 21 -12.186 6.350 -3.140 1.00 0.00 H new ATOM 0 HB3 ASP B 21 -11.341 7.602 -4.029 1.00 0.00 H new ATOM 731 N THR B 22 -10.809 6.074 -6.763 1.00 0.00 N ATOM 732 CA THR B 22 -9.652 5.400 -7.334 1.00 0.00 C ATOM 733 C THR B 22 -8.466 5.449 -6.379 1.00 0.00 C ATOM 734 O THR B 22 -8.387 6.327 -5.520 1.00 0.00 O ATOM 735 CB THR B 22 -9.243 6.025 -8.679 1.00 0.00 C ATOM 736 OG1 THR B 22 -8.936 7.413 -8.502 1.00 0.00 O ATOM 737 CG2 THR B 22 -10.357 5.874 -9.704 1.00 0.00 C ATOM 0 H THR B 22 -11.055 6.948 -7.227 1.00 0.00 H new ATOM 0 HA THR B 22 -9.939 4.362 -7.501 1.00 0.00 H new ATOM 0 HB THR B 22 -8.359 5.502 -9.044 1.00 0.00 H new ATOM 0 HG1 THR B 22 -8.675 7.803 -9.363 1.00 0.00 H new ATOM 0 HG21 THR B 22 -10.047 6.323 -10.648 1.00 0.00 H new ATOM 0 HG22 THR B 22 -10.569 4.816 -9.858 1.00 0.00 H new ATOM 0 HG23 THR B 22 -11.255 6.375 -9.342 1.00 0.00 H new ATOM 745 N ILE B 23 -7.551 4.498 -6.535 1.00 0.00 N ATOM 746 CA ILE B 23 -6.366 4.425 -5.689 1.00 0.00 C ATOM 747 C ILE B 23 -5.655 5.776 -5.612 1.00 0.00 C ATOM 748 O ILE B 23 -5.151 6.160 -4.557 1.00 0.00 O ATOM 749 CB ILE B 23 -5.379 3.358 -6.208 1.00 0.00 C ATOM 750 CG1 ILE B 23 -6.027 1.969 -6.185 1.00 0.00 C ATOM 751 CG2 ILE B 23 -4.100 3.365 -5.384 1.00 0.00 C ATOM 752 CD1 ILE B 23 -6.414 1.496 -4.800 1.00 0.00 C ATOM 0 H ILE B 23 -7.608 3.765 -7.242 1.00 0.00 H new ATOM 0 HA ILE B 23 -6.702 4.145 -4.691 1.00 0.00 H new ATOM 0 HB ILE B 23 -5.123 3.601 -7.239 1.00 0.00 H new ATOM 0 HG12 ILE B 23 -6.916 1.983 -6.815 1.00 0.00 H new ATOM 0 HG13 ILE B 23 -5.336 1.249 -6.624 1.00 0.00 H new ATOM 0 HG21 ILE B 23 -3.417 2.606 -5.766 1.00 0.00 H new ATOM 0 HG22 ILE B 23 -3.628 4.345 -5.453 1.00 0.00 H new ATOM 0 HG23 ILE B 23 -4.337 3.149 -4.342 1.00 0.00 H new ATOM 0 HD11 ILE B 23 -6.866 0.506 -4.867 1.00 0.00 H new ATOM 0 HD12 ILE B 23 -5.525 1.448 -4.171 1.00 0.00 H new ATOM 0 HD13 ILE B 23 -7.130 2.193 -4.364 1.00 0.00 H new ATOM 764 N ASP B 24 -5.620 6.490 -6.735 1.00 0.00 N ATOM 765 CA ASP B 24 -4.969 7.797 -6.797 1.00 0.00 C ATOM 766 C ASP B 24 -5.524 8.743 -5.733 1.00 0.00 C ATOM 767 O ASP B 24 -4.766 9.378 -4.996 1.00 0.00 O ATOM 768 CB ASP B 24 -5.151 8.412 -8.186 1.00 0.00 C ATOM 769 CG ASP B 24 -4.474 9.763 -8.314 1.00 0.00 C ATOM 770 OD1 ASP B 24 -3.239 9.827 -8.139 1.00 0.00 O ATOM 771 OD2 ASP B 24 -5.179 10.756 -8.592 1.00 0.00 O ATOM 0 H ASP B 24 -6.035 6.185 -7.615 1.00 0.00 H new ATOM 0 HA ASP B 24 -3.906 7.652 -6.603 1.00 0.00 H new ATOM 0 HB2 ASP B 24 -4.746 7.733 -8.937 1.00 0.00 H new ATOM 0 HB3 ASP B 24 -6.215 8.521 -8.396 1.00 0.00 H new ATOM 776 N ASN B 25 -6.850 8.828 -5.654 1.00 0.00 N ATOM 777 CA ASN B 25 -7.501 9.692 -4.674 1.00 0.00 C ATOM 778 C ASN B 25 -7.062 9.311 -3.266 1.00 0.00 C ATOM 779 O ASN B 25 -6.724 10.172 -2.446 1.00 0.00 O ATOM 780 CB ASN B 25 -9.023 9.585 -4.799 1.00 0.00 C ATOM 781 CG ASN B 25 -9.751 10.515 -3.849 1.00 0.00 C ATOM 782 OD1 ASN B 25 -9.613 10.408 -2.630 1.00 0.00 O ATOM 783 ND2 ASN B 25 -10.528 11.437 -4.403 1.00 0.00 N ATOM 0 H ASN B 25 -7.492 8.311 -6.255 1.00 0.00 H new ATOM 0 HA ASN B 25 -7.207 10.724 -4.868 1.00 0.00 H new ATOM 0 HB2 ASN B 25 -9.317 9.814 -5.823 1.00 0.00 H new ATOM 0 HB3 ASN B 25 -9.329 8.558 -4.602 1.00 0.00 H new ATOM 0 HD21 ASN B 25 -11.040 12.093 -3.814 1.00 0.00 H new ATOM 0 HD22 ASN B 25 -10.613 11.489 -5.418 1.00 0.00 H new ATOM 790 N VAL B 26 -7.052 8.009 -3.001 1.00 0.00 N ATOM 791 CA VAL B 26 -6.637 7.499 -1.706 1.00 0.00 C ATOM 792 C VAL B 26 -5.239 8.000 -1.380 1.00 0.00 C ATOM 793 O VAL B 26 -4.956 8.397 -0.251 1.00 0.00 O ATOM 794 CB VAL B 26 -6.643 5.959 -1.676 1.00 0.00 C ATOM 795 CG1 VAL B 26 -6.316 5.450 -0.281 1.00 0.00 C ATOM 796 CG2 VAL B 26 -7.984 5.421 -2.151 1.00 0.00 C ATOM 0 H VAL B 26 -7.328 7.289 -3.669 1.00 0.00 H new ATOM 0 HA VAL B 26 -7.348 7.859 -0.963 1.00 0.00 H new ATOM 0 HB VAL B 26 -5.873 5.597 -2.357 1.00 0.00 H new ATOM 0 HG11 VAL B 26 -6.325 4.360 -0.280 1.00 0.00 H new ATOM 0 HG12 VAL B 26 -5.328 5.805 0.014 1.00 0.00 H new ATOM 0 HG13 VAL B 26 -7.060 5.820 0.425 1.00 0.00 H new ATOM 0 HG21 VAL B 26 -7.969 4.331 -2.123 1.00 0.00 H new ATOM 0 HG22 VAL B 26 -8.776 5.790 -1.499 1.00 0.00 H new ATOM 0 HG23 VAL B 26 -8.169 5.755 -3.172 1.00 0.00 H new ATOM 806 N LYS B 27 -4.373 7.992 -2.391 1.00 0.00 N ATOM 807 CA LYS B 27 -3.004 8.460 -2.231 1.00 0.00 C ATOM 808 C LYS B 27 -2.993 9.921 -1.811 1.00 0.00 C ATOM 809 O LYS B 27 -2.208 10.323 -0.955 1.00 0.00 O ATOM 810 CB LYS B 27 -2.220 8.286 -3.534 1.00 0.00 C ATOM 811 CG LYS B 27 -2.170 6.851 -4.030 1.00 0.00 C ATOM 812 CD LYS B 27 -1.548 5.925 -2.998 1.00 0.00 C ATOM 813 CE LYS B 27 -1.507 4.489 -3.493 1.00 0.00 C ATOM 814 NZ LYS B 27 -0.678 4.347 -4.722 1.00 0.00 N ATOM 0 H LYS B 27 -4.599 7.665 -3.331 1.00 0.00 H new ATOM 0 HA LYS B 27 -2.526 7.863 -1.454 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -2.670 8.912 -4.305 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -1.202 8.645 -3.386 1.00 0.00 H new ATOM 0 HG2 LYS B 27 -3.179 6.511 -4.264 1.00 0.00 H new ATOM 0 HG3 LYS B 27 -1.595 6.805 -4.955 1.00 0.00 H new ATOM 0 HD2 LYS B 27 -0.537 6.261 -2.768 1.00 0.00 H new ATOM 0 HD3 LYS B 27 -2.119 5.975 -2.071 1.00 0.00 H new ATOM 0 HE2 LYS B 27 -1.106 3.846 -2.709 1.00 0.00 H new ATOM 0 HE3 LYS B 27 -2.521 4.147 -3.698 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 -0.352 3.363 -4.809 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 -1.247 4.598 -5.556 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 0.145 4.980 -4.661 1.00 0.00 H new ATOM 828 N SER B 28 -3.878 10.711 -2.417 1.00 0.00 N ATOM 829 CA SER B 28 -3.976 12.130 -2.097 1.00 0.00 C ATOM 830 C SER B 28 -4.234 12.314 -0.606 1.00 0.00 C ATOM 831 O SER B 28 -3.525 13.065 0.073 1.00 0.00 O ATOM 832 CB SER B 28 -5.095 12.784 -2.911 1.00 0.00 C ATOM 833 OG SER B 28 -4.866 12.638 -4.302 1.00 0.00 O ATOM 0 H SER B 28 -4.534 10.392 -3.130 1.00 0.00 H new ATOM 0 HA SER B 28 -3.033 12.612 -2.354 1.00 0.00 H new ATOM 0 HB2 SER B 28 -6.052 12.333 -2.647 1.00 0.00 H new ATOM 0 HB3 SER B 28 -5.161 13.842 -2.659 1.00 0.00 H new ATOM 0 HG SER B 28 -5.595 13.063 -4.800 1.00 0.00 H new ATOM 839 N LYS B 29 -5.239 11.606 -0.093 1.00 0.00 N ATOM 840 CA LYS B 29 -5.565 11.680 1.327 1.00 0.00 C ATOM 841 C LYS B 29 -4.365 11.249 2.162 1.00 0.00 C ATOM 842 O LYS B 29 -4.067 11.847 3.196 1.00 0.00 O ATOM 843 CB LYS B 29 -6.778 10.809 1.660 1.00 0.00 C ATOM 844 CG LYS B 29 -8.089 11.348 1.110 1.00 0.00 C ATOM 845 CD LYS B 29 -9.272 10.529 1.600 1.00 0.00 C ATOM 846 CE LYS B 29 -10.595 11.122 1.143 1.00 0.00 C ATOM 847 NZ LYS B 29 -10.697 11.180 -0.340 1.00 0.00 N ATOM 0 H LYS B 29 -5.836 10.981 -0.635 1.00 0.00 H new ATOM 0 HA LYS B 29 -5.815 12.714 1.565 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -6.614 9.807 1.265 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -6.860 10.715 2.743 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -8.213 12.388 1.413 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -8.061 11.335 0.020 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -9.185 9.507 1.231 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -9.253 10.478 2.689 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -11.416 10.525 1.540 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -10.703 12.126 1.553 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -10.617 12.168 -0.655 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -9.930 10.619 -0.763 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -11.615 10.794 -0.640 1.00 0.00 H new ATOM 861 N ILE B 30 -3.674 10.213 1.695 1.00 0.00 N ATOM 862 CA ILE B 30 -2.494 9.705 2.383 1.00 0.00 C ATOM 863 C ILE B 30 -1.407 10.772 2.432 1.00 0.00 C ATOM 864 O ILE B 30 -0.696 10.907 3.428 1.00 0.00 O ATOM 865 CB ILE B 30 -1.942 8.439 1.692 1.00 0.00 C ATOM 866 CG1 ILE B 30 -2.975 7.312 1.754 1.00 0.00 C ATOM 867 CG2 ILE B 30 -0.632 8.005 2.338 1.00 0.00 C ATOM 868 CD1 ILE B 30 -2.566 6.067 0.996 1.00 0.00 C ATOM 0 H ILE B 30 -3.913 9.709 0.841 1.00 0.00 H new ATOM 0 HA ILE B 30 -2.793 9.443 3.398 1.00 0.00 H new ATOM 0 HB ILE B 30 -1.744 8.670 0.645 1.00 0.00 H new ATOM 0 HG12 ILE B 30 -3.151 7.050 2.797 1.00 0.00 H new ATOM 0 HG13 ILE B 30 -3.921 7.676 1.353 1.00 0.00 H new ATOM 0 HG21 ILE B 30 -0.258 7.112 1.838 1.00 0.00 H new ATOM 0 HG22 ILE B 30 0.102 8.806 2.246 1.00 0.00 H new ATOM 0 HG23 ILE B 30 -0.801 7.787 3.392 1.00 0.00 H new ATOM 0 HD11 ILE B 30 -3.348 5.313 1.086 1.00 0.00 H new ATOM 0 HD12 ILE B 30 -2.419 6.313 -0.056 1.00 0.00 H new ATOM 0 HD13 ILE B 30 -1.637 5.677 1.411 1.00 0.00 H new ATOM 880 N GLN B 31 -1.289 11.530 1.347 1.00 0.00 N ATOM 881 CA GLN B 31 -0.297 12.592 1.255 1.00 0.00 C ATOM 882 C GLN B 31 -0.545 13.652 2.320 1.00 0.00 C ATOM 883 O GLN B 31 0.379 14.093 2.997 1.00 0.00 O ATOM 884 CB GLN B 31 -0.334 13.233 -0.134 1.00 0.00 C ATOM 885 CG GLN B 31 0.679 14.352 -0.318 1.00 0.00 C ATOM 886 CD GLN B 31 0.549 15.041 -1.662 1.00 0.00 C ATOM 887 OE1 GLN B 31 0.678 14.410 -2.711 1.00 0.00 O ATOM 888 NE2 GLN B 31 0.292 16.344 -1.637 1.00 0.00 N ATOM 0 H GLN B 31 -1.872 11.427 0.516 1.00 0.00 H new ATOM 0 HA GLN B 31 0.688 12.155 1.420 1.00 0.00 H new ATOM 0 HB2 GLN B 31 -0.153 12.464 -0.884 1.00 0.00 H new ATOM 0 HB3 GLN B 31 -1.334 13.627 -0.316 1.00 0.00 H new ATOM 0 HG2 GLN B 31 0.551 15.087 0.477 1.00 0.00 H new ATOM 0 HG3 GLN B 31 1.686 13.946 -0.218 1.00 0.00 H new ATOM 0 HE21 GLN B 31 0.193 16.827 -0.744 1.00 0.00 H new ATOM 0 HE22 GLN B 31 0.194 16.861 -2.511 1.00 0.00 H new ATOM 897 N ASP B 32 -1.800 14.061 2.461 1.00 0.00 N ATOM 898 CA ASP B 32 -2.169 15.068 3.434 1.00 0.00 C ATOM 899 C ASP B 32 -1.917 14.591 4.865 1.00 0.00 C ATOM 900 O ASP B 32 -1.437 15.352 5.705 1.00 0.00 O ATOM 901 CB ASP B 32 -3.639 15.427 3.250 1.00 0.00 C ATOM 902 CG ASP B 32 -3.920 16.060 1.900 1.00 0.00 C ATOM 903 OD1 ASP B 32 -2.969 16.216 1.105 1.00 0.00 O ATOM 904 OD2 ASP B 32 -5.093 16.400 1.638 1.00 0.00 O ATOM 0 H ASP B 32 -2.580 13.705 1.908 1.00 0.00 H new ATOM 0 HA ASP B 32 -1.548 15.948 3.271 1.00 0.00 H new ATOM 0 HB2 ASP B 32 -4.245 14.528 3.359 1.00 0.00 H new ATOM 0 HB3 ASP B 32 -3.943 16.114 4.040 1.00 0.00 H new ATOM 909 N LYS B 33 -2.257 13.334 5.140 1.00 0.00 N ATOM 910 CA LYS B 33 -2.082 12.767 6.476 1.00 0.00 C ATOM 911 C LYS B 33 -0.608 12.568 6.832 1.00 0.00 C ATOM 912 O LYS B 33 -0.076 13.244 7.713 1.00 0.00 O ATOM 913 CB LYS B 33 -2.817 11.427 6.581 1.00 0.00 C ATOM 914 CG LYS B 33 -4.331 11.538 6.465 1.00 0.00 C ATOM 915 CD LYS B 33 -4.938 12.288 7.642 1.00 0.00 C ATOM 916 CE LYS B 33 -4.698 11.560 8.956 1.00 0.00 C ATOM 917 NZ LYS B 33 -5.292 10.194 8.951 1.00 0.00 N ATOM 0 H LYS B 33 -2.655 12.689 4.457 1.00 0.00 H new ATOM 0 HA LYS B 33 -2.503 13.480 7.184 1.00 0.00 H new ATOM 0 HB2 LYS B 33 -2.451 10.762 5.799 1.00 0.00 H new ATOM 0 HB3 LYS B 33 -2.569 10.963 7.536 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -4.587 12.050 5.537 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -4.765 10.540 6.408 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -4.509 13.289 7.696 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -6.010 12.409 7.483 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -3.626 11.489 9.141 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -5.125 12.139 9.775 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -5.304 9.817 9.920 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -6.265 10.240 8.586 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -4.723 9.570 8.344 1.00 0.00 H new ATOM 931 N GLU B 34 0.037 11.619 6.158 1.00 0.00 N ATOM 932 CA GLU B 34 1.441 11.304 6.418 1.00 0.00 C ATOM 933 C GLU B 34 2.388 12.389 5.907 1.00 0.00 C ATOM 934 O GLU B 34 3.383 12.705 6.559 1.00 0.00 O ATOM 935 CB GLU B 34 1.808 9.959 5.787 1.00 0.00 C ATOM 936 CG GLU B 34 1.013 8.789 6.343 1.00 0.00 C ATOM 937 CD GLU B 34 1.448 7.458 5.761 1.00 0.00 C ATOM 938 OE1 GLU B 34 1.382 7.299 4.524 1.00 0.00 O ATOM 939 OE2 GLU B 34 1.853 6.572 6.543 1.00 0.00 O ATOM 0 H GLU B 34 -0.391 11.053 5.425 1.00 0.00 H new ATOM 0 HA GLU B 34 1.559 11.250 7.500 1.00 0.00 H new ATOM 0 HB2 GLU B 34 1.649 10.017 4.710 1.00 0.00 H new ATOM 0 HB3 GLU B 34 2.871 9.772 5.942 1.00 0.00 H new ATOM 0 HG2 GLU B 34 1.125 8.761 7.427 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -0.046 8.943 6.136 1.00 0.00 H new ATOM 946 N GLY B 35 2.092 12.941 4.736 1.00 0.00 N ATOM 947 CA GLY B 35 2.952 13.965 4.166 1.00 0.00 C ATOM 948 C GLY B 35 4.017 13.375 3.262 1.00 0.00 C ATOM 949 O GLY B 35 5.199 13.691 3.392 1.00 0.00 O ATOM 0 H GLY B 35 1.277 12.700 4.172 1.00 0.00 H new ATOM 0 HA2 GLY B 35 2.347 14.672 3.599 1.00 0.00 H new ATOM 0 HA3 GLY B 35 3.429 14.526 4.970 1.00 0.00 H new ATOM 953 N ILE B 36 3.591 12.505 2.349 1.00 0.00 N ATOM 954 CA ILE B 36 4.506 11.851 1.420 1.00 0.00 C ATOM 955 C ILE B 36 3.891 11.755 0.024 1.00 0.00 C ATOM 956 O ILE B 36 2.727 11.378 -0.120 1.00 0.00 O ATOM 957 CB ILE B 36 4.862 10.430 1.905 1.00 0.00 C ATOM 958 CG1 ILE B 36 5.503 10.488 3.294 1.00 0.00 C ATOM 959 CG2 ILE B 36 5.790 9.742 0.912 1.00 0.00 C ATOM 960 CD1 ILE B 36 5.791 9.126 3.887 1.00 0.00 C ATOM 0 H ILE B 36 2.614 12.237 2.234 1.00 0.00 H new ATOM 0 HA ILE B 36 5.411 12.457 1.377 1.00 0.00 H new ATOM 0 HB ILE B 36 3.944 9.846 1.973 1.00 0.00 H new ATOM 0 HG12 ILE B 36 6.434 11.052 3.232 1.00 0.00 H new ATOM 0 HG13 ILE B 36 4.843 11.035 3.967 1.00 0.00 H new ATOM 0 HG21 ILE B 36 6.030 8.741 1.271 1.00 0.00 H new ATOM 0 HG22 ILE B 36 5.297 9.671 -0.058 1.00 0.00 H new ATOM 0 HG23 ILE B 36 6.708 10.321 0.811 1.00 0.00 H new ATOM 0 HD11 ILE B 36 6.244 9.246 4.871 1.00 0.00 H new ATOM 0 HD12 ILE B 36 4.860 8.566 3.982 1.00 0.00 H new ATOM 0 HD13 ILE B 36 6.476 8.583 3.236 1.00 0.00 H new ATOM 972 N PRO B 37 4.663 12.093 -1.028 1.00 0.00 N ATOM 973 CA PRO B 37 4.177 12.035 -2.411 1.00 0.00 C ATOM 974 C PRO B 37 3.627 10.655 -2.768 1.00 0.00 C ATOM 975 O PRO B 37 4.207 9.635 -2.397 1.00 0.00 O ATOM 976 CB PRO B 37 5.421 12.347 -3.246 1.00 0.00 C ATOM 977 CG PRO B 37 6.314 13.108 -2.330 1.00 0.00 C ATOM 978 CD PRO B 37 6.063 12.555 -0.955 1.00 0.00 C ATOM 0 HA PRO B 37 3.353 12.728 -2.583 1.00 0.00 H new ATOM 0 HB2 PRO B 37 5.901 11.433 -3.597 1.00 0.00 H new ATOM 0 HB3 PRO B 37 5.168 12.934 -4.129 1.00 0.00 H new ATOM 0 HG2 PRO B 37 7.359 12.987 -2.614 1.00 0.00 H new ATOM 0 HG3 PRO B 37 6.094 14.175 -2.368 1.00 0.00 H new ATOM 0 HD2 PRO B 37 6.745 11.738 -0.719 1.00 0.00 H new ATOM 0 HD3 PRO B 37 6.197 13.315 -0.185 1.00 0.00 H new ATOM 986 N PRO B 38 2.492 10.604 -3.491 1.00 0.00 N ATOM 987 CA PRO B 38 1.865 9.338 -3.888 1.00 0.00 C ATOM 988 C PRO B 38 2.814 8.425 -4.658 1.00 0.00 C ATOM 989 O PRO B 38 2.906 7.231 -4.374 1.00 0.00 O ATOM 990 CB PRO B 38 0.707 9.777 -4.789 1.00 0.00 C ATOM 991 CG PRO B 38 0.413 11.179 -4.382 1.00 0.00 C ATOM 992 CD PRO B 38 1.729 11.772 -3.970 1.00 0.00 C ATOM 0 HA PRO B 38 1.555 8.756 -3.020 1.00 0.00 H new ATOM 0 HB2 PRO B 38 0.983 9.721 -5.842 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -0.164 9.136 -4.653 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -0.028 11.741 -5.206 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -0.302 11.205 -3.560 1.00 0.00 H new ATOM 0 HD2 PRO B 38 2.228 12.263 -4.805 1.00 0.00 H new ATOM 0 HD3 PRO B 38 1.606 12.520 -3.187 1.00 0.00 H new ATOM 1000 N ASP B 39 3.512 8.990 -5.637 1.00 0.00 N ATOM 1001 CA ASP B 39 4.447 8.224 -6.454 1.00 0.00 C ATOM 1002 C ASP B 39 5.584 7.650 -5.613 1.00 0.00 C ATOM 1003 O ASP B 39 5.939 6.480 -5.752 1.00 0.00 O ATOM 1004 CB ASP B 39 5.020 9.103 -7.567 1.00 0.00 C ATOM 1005 CG ASP B 39 3.949 9.623 -8.504 1.00 0.00 C ATOM 1006 OD1 ASP B 39 3.262 8.794 -9.137 1.00 0.00 O ATOM 1007 OD2 ASP B 39 3.797 10.858 -8.605 1.00 0.00 O ATOM 0 H ASP B 39 3.448 9.977 -5.885 1.00 0.00 H new ATOM 0 HA ASP B 39 3.897 7.392 -6.895 1.00 0.00 H new ATOM 0 HB2 ASP B 39 5.551 9.945 -7.124 1.00 0.00 H new ATOM 0 HB3 ASP B 39 5.751 8.531 -8.138 1.00 0.00 H new ATOM 1012 N GLN B 40 6.157 8.483 -4.751 1.00 0.00 N ATOM 1013 CA GLN B 40 7.266 8.065 -3.895 1.00 0.00 C ATOM 1014 C GLN B 40 6.922 6.802 -3.108 1.00 0.00 C ATOM 1015 O GLN B 40 7.713 5.861 -3.052 1.00 0.00 O ATOM 1016 CB GLN B 40 7.633 9.196 -2.930 1.00 0.00 C ATOM 1017 CG GLN B 40 8.815 8.880 -2.024 1.00 0.00 C ATOM 1018 CD GLN B 40 10.118 8.722 -2.786 1.00 0.00 C ATOM 1019 OE1 GLN B 40 10.249 7.850 -3.644 1.00 0.00 O ATOM 1020 NE2 GLN B 40 11.092 9.570 -2.473 1.00 0.00 N ATOM 0 H GLN B 40 5.872 9.454 -4.625 1.00 0.00 H new ATOM 0 HA GLN B 40 8.118 7.839 -4.536 1.00 0.00 H new ATOM 0 HB2 GLN B 40 7.861 10.092 -3.507 1.00 0.00 H new ATOM 0 HB3 GLN B 40 6.766 9.427 -2.311 1.00 0.00 H new ATOM 0 HG2 GLN B 40 8.925 9.676 -1.288 1.00 0.00 H new ATOM 0 HG3 GLN B 40 8.609 7.962 -1.473 1.00 0.00 H new ATOM 0 HE21 GLN B 40 10.940 10.278 -1.755 1.00 0.00 H new ATOM 0 HE22 GLN B 40 11.991 9.513 -2.951 1.00 0.00 H new ATOM 1029 N GLN B 41 5.746 6.792 -2.491 1.00 0.00 N ATOM 1030 CA GLN B 41 5.308 5.648 -1.696 1.00 0.00 C ATOM 1031 C GLN B 41 4.637 4.577 -2.556 1.00 0.00 C ATOM 1032 O GLN B 41 3.795 4.880 -3.402 1.00 0.00 O ATOM 1033 CB GLN B 41 4.349 6.110 -0.597 1.00 0.00 C ATOM 1034 CG GLN B 41 3.142 6.870 -1.122 1.00 0.00 C ATOM 1035 CD GLN B 41 2.225 7.346 -0.013 1.00 0.00 C ATOM 1036 OE1 GLN B 41 1.686 6.545 0.750 1.00 0.00 O ATOM 1037 NE2 GLN B 41 2.044 8.659 0.080 1.00 0.00 N ATOM 0 H GLN B 41 5.078 7.562 -2.525 1.00 0.00 H new ATOM 0 HA GLN B 41 6.195 5.202 -1.246 1.00 0.00 H new ATOM 0 HB2 GLN B 41 4.005 5.240 -0.038 1.00 0.00 H new ATOM 0 HB3 GLN B 41 4.891 6.745 0.103 1.00 0.00 H new ATOM 0 HG2 GLN B 41 3.482 7.729 -1.701 1.00 0.00 H new ATOM 0 HG3 GLN B 41 2.581 6.229 -1.802 1.00 0.00 H new ATOM 0 HE21 GLN B 41 2.512 9.286 -0.575 1.00 0.00 H new ATOM 0 HE22 GLN B 41 1.438 9.040 0.806 1.00 0.00 H new ATOM 1046 N ARG B 42 5.005 3.319 -2.315 1.00 0.00 N ATOM 1047 CA ARG B 42 4.431 2.190 -3.043 1.00 0.00 C ATOM 1048 C ARG B 42 3.601 1.320 -2.105 1.00 0.00 C ATOM 1049 O ARG B 42 4.062 0.940 -1.029 1.00 0.00 O ATOM 1050 CB ARG B 42 5.531 1.348 -3.695 1.00 0.00 C ATOM 1051 CG ARG B 42 6.162 2.000 -4.915 1.00 0.00 C ATOM 1052 CD ARG B 42 7.301 1.157 -5.468 1.00 0.00 C ATOM 1053 NE ARG B 42 7.810 1.678 -6.734 1.00 0.00 N ATOM 1054 CZ ARG B 42 7.116 1.670 -7.869 1.00 0.00 C ATOM 1055 NH1 ARG B 42 5.889 1.164 -7.898 1.00 0.00 N ATOM 1056 NH2 ARG B 42 7.648 2.168 -8.977 1.00 0.00 N ATOM 0 H ARG B 42 5.701 3.056 -1.618 1.00 0.00 H new ATOM 0 HA ARG B 42 3.785 2.586 -3.826 1.00 0.00 H new ATOM 0 HB2 ARG B 42 6.309 1.150 -2.958 1.00 0.00 H new ATOM 0 HB3 ARG B 42 5.114 0.384 -3.985 1.00 0.00 H new ATOM 0 HG2 ARG B 42 5.405 2.142 -5.686 1.00 0.00 H new ATOM 0 HG3 ARG B 42 6.535 2.989 -4.649 1.00 0.00 H new ATOM 0 HD2 ARG B 42 8.111 1.122 -4.740 1.00 0.00 H new ATOM 0 HD3 ARG B 42 6.956 0.133 -5.611 1.00 0.00 H new ATOM 0 HE ARG B 42 8.751 2.070 -6.749 1.00 0.00 H new ATOM 0 HH11 ARG B 42 5.476 0.780 -7.048 1.00 0.00 H new ATOM 0 HH12 ARG B 42 5.360 1.159 -8.770 1.00 0.00 H new ATOM 0 HH21 ARG B 42 8.590 2.558 -8.960 1.00 0.00 H new ATOM 0 HH22 ARG B 42 7.115 2.161 -9.846 1.00 0.00 H new ATOM 1070 N LEU B 43 2.373 1.015 -2.512 1.00 0.00 N ATOM 1071 CA LEU B 43 1.481 0.198 -1.695 1.00 0.00 C ATOM 1072 C LEU B 43 1.429 -1.248 -2.180 1.00 0.00 C ATOM 1073 O LEU B 43 1.334 -1.514 -3.380 1.00 0.00 O ATOM 1074 CB LEU B 43 0.072 0.798 -1.671 1.00 0.00 C ATOM 1075 CG LEU B 43 -0.082 2.071 -0.830 1.00 0.00 C ATOM 1076 CD1 LEU B 43 0.259 1.794 0.627 1.00 0.00 C ATOM 1077 CD2 LEU B 43 0.793 3.189 -1.376 1.00 0.00 C ATOM 0 H LEU B 43 1.973 1.320 -3.400 1.00 0.00 H new ATOM 0 HA LEU B 43 1.884 0.193 -0.682 1.00 0.00 H new ATOM 0 HB2 LEU B 43 -0.228 1.020 -2.695 1.00 0.00 H new ATOM 0 HB3 LEU B 43 -0.619 0.046 -1.292 1.00 0.00 H new ATOM 0 HG LEU B 43 -1.122 2.391 -0.888 1.00 0.00 H new ATOM 0 HD11 LEU B 43 0.144 2.709 1.208 1.00 0.00 H new ATOM 0 HD12 LEU B 43 -0.411 1.029 1.018 1.00 0.00 H new ATOM 0 HD13 LEU B 43 1.289 1.445 0.700 1.00 0.00 H new ATOM 0 HD21 LEU B 43 0.667 4.082 -0.763 1.00 0.00 H new ATOM 0 HD22 LEU B 43 1.837 2.878 -1.353 1.00 0.00 H new ATOM 0 HD23 LEU B 43 0.502 3.410 -2.403 1.00 0.00 H new ATOM 1089 N ILE B 44 1.484 -2.176 -1.228 1.00 0.00 N ATOM 1090 CA ILE B 44 1.438 -3.602 -1.529 1.00 0.00 C ATOM 1091 C ILE B 44 0.226 -4.251 -0.868 1.00 0.00 C ATOM 1092 O ILE B 44 -0.109 -3.940 0.279 1.00 0.00 O ATOM 1093 CB ILE B 44 2.710 -4.324 -1.037 1.00 0.00 C ATOM 1094 CG1 ILE B 44 3.968 -3.648 -1.591 1.00 0.00 C ATOM 1095 CG2 ILE B 44 2.672 -5.795 -1.430 1.00 0.00 C ATOM 1096 CD1 ILE B 44 4.145 -3.807 -3.086 1.00 0.00 C ATOM 0 H ILE B 44 1.561 -1.962 -0.234 1.00 0.00 H new ATOM 0 HA ILE B 44 1.369 -3.698 -2.613 1.00 0.00 H new ATOM 0 HB ILE B 44 2.742 -4.258 0.051 1.00 0.00 H new ATOM 0 HG12 ILE B 44 3.933 -2.585 -1.351 1.00 0.00 H new ATOM 0 HG13 ILE B 44 4.842 -4.060 -1.086 1.00 0.00 H new ATOM 0 HG21 ILE B 44 3.576 -6.290 -1.076 1.00 0.00 H new ATOM 0 HG22 ILE B 44 1.799 -6.269 -0.981 1.00 0.00 H new ATOM 0 HG23 ILE B 44 2.613 -5.880 -2.515 1.00 0.00 H new ATOM 0 HD11 ILE B 44 5.058 -3.301 -3.400 1.00 0.00 H new ATOM 0 HD12 ILE B 44 4.214 -4.866 -3.334 1.00 0.00 H new ATOM 0 HD13 ILE B 44 3.291 -3.369 -3.602 1.00 0.00 H new ATOM 1108 N PHE B 45 -0.418 -5.158 -1.595 1.00 0.00 N ATOM 1109 CA PHE B 45 -1.588 -5.863 -1.087 1.00 0.00 C ATOM 1110 C PHE B 45 -1.833 -7.134 -1.892 1.00 0.00 C ATOM 1111 O PHE B 45 -1.771 -7.120 -3.122 1.00 0.00 O ATOM 1112 CB PHE B 45 -2.824 -4.962 -1.142 1.00 0.00 C ATOM 1113 CG PHE B 45 -4.062 -5.603 -0.579 1.00 0.00 C ATOM 1114 CD1 PHE B 45 -4.036 -6.217 0.664 1.00 0.00 C ATOM 1115 CD2 PHE B 45 -5.249 -5.592 -1.292 1.00 0.00 C ATOM 1116 CE1 PHE B 45 -5.171 -6.808 1.184 1.00 0.00 C ATOM 1117 CE2 PHE B 45 -6.388 -6.182 -0.777 1.00 0.00 C ATOM 1118 CZ PHE B 45 -6.349 -6.790 0.463 1.00 0.00 C ATOM 0 H PHE B 45 -0.147 -5.423 -2.542 1.00 0.00 H new ATOM 0 HA PHE B 45 -1.400 -6.135 -0.048 1.00 0.00 H new ATOM 0 HB2 PHE B 45 -2.618 -4.044 -0.592 1.00 0.00 H new ATOM 0 HB3 PHE B 45 -3.011 -4.678 -2.178 1.00 0.00 H new ATOM 0 HD1 PHE B 45 -3.118 -6.233 1.232 1.00 0.00 H new ATOM 0 HD2 PHE B 45 -5.285 -5.117 -2.261 1.00 0.00 H new ATOM 0 HE1 PHE B 45 -5.137 -7.284 2.153 1.00 0.00 H new ATOM 0 HE2 PHE B 45 -7.307 -6.168 -1.343 1.00 0.00 H new ATOM 0 HZ PHE B 45 -7.238 -7.250 0.868 1.00 0.00 H new ATOM 1128 N ALA B 46 -2.098 -8.233 -1.191 1.00 0.00 N ATOM 1129 CA ALA B 46 -2.339 -9.517 -1.840 1.00 0.00 C ATOM 1130 C ALA B 46 -1.204 -9.854 -2.801 1.00 0.00 C ATOM 1131 O ALA B 46 -1.424 -10.437 -3.863 1.00 0.00 O ATOM 1132 CB ALA B 46 -3.671 -9.498 -2.575 1.00 0.00 C ATOM 0 H ALA B 46 -2.151 -8.259 -0.173 1.00 0.00 H new ATOM 0 HA ALA B 46 -2.378 -10.289 -1.072 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -3.836 -10.463 -3.054 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -4.475 -9.303 -1.866 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -3.657 -8.715 -3.333 1.00 0.00 H new ATOM 1138 N GLY B 47 0.010 -9.475 -2.416 1.00 0.00 N ATOM 1139 CA GLY B 47 1.171 -9.732 -3.244 1.00 0.00 C ATOM 1140 C GLY B 47 1.094 -9.036 -4.589 1.00 0.00 C ATOM 1141 O GLY B 47 1.517 -9.589 -5.603 1.00 0.00 O ATOM 0 H GLY B 47 0.210 -8.992 -1.540 1.00 0.00 H new ATOM 0 HA2 GLY B 47 2.067 -9.402 -2.719 1.00 0.00 H new ATOM 0 HA3 GLY B 47 1.271 -10.806 -3.400 1.00 0.00 H new ATOM 1145 N LYS B 48 0.556 -7.816 -4.594 1.00 0.00 N ATOM 1146 CA LYS B 48 0.424 -7.036 -5.825 1.00 0.00 C ATOM 1147 C LYS B 48 0.406 -5.540 -5.525 1.00 0.00 C ATOM 1148 O LYS B 48 -0.257 -5.093 -4.588 1.00 0.00 O ATOM 1149 CB LYS B 48 -0.860 -7.414 -6.572 1.00 0.00 C ATOM 1150 CG LYS B 48 -0.899 -8.858 -7.052 1.00 0.00 C ATOM 1151 CD LYS B 48 -2.206 -9.178 -7.761 1.00 0.00 C ATOM 1152 CE LYS B 48 -2.381 -8.340 -9.019 1.00 0.00 C ATOM 1153 NZ LYS B 48 -3.665 -8.641 -9.710 1.00 0.00 N ATOM 0 H LYS B 48 0.205 -7.347 -3.759 1.00 0.00 H new ATOM 0 HA LYS B 48 1.287 -7.264 -6.451 1.00 0.00 H new ATOM 0 HB2 LYS B 48 -1.714 -7.237 -5.918 1.00 0.00 H new ATOM 0 HB3 LYS B 48 -0.975 -6.754 -7.432 1.00 0.00 H new ATOM 0 HG2 LYS B 48 -0.064 -9.040 -7.728 1.00 0.00 H new ATOM 0 HG3 LYS B 48 -0.772 -9.528 -6.202 1.00 0.00 H new ATOM 0 HD2 LYS B 48 -2.229 -10.236 -8.022 1.00 0.00 H new ATOM 0 HD3 LYS B 48 -3.041 -8.998 -7.084 1.00 0.00 H new ATOM 0 HE2 LYS B 48 -2.348 -7.282 -8.758 1.00 0.00 H new ATOM 0 HE3 LYS B 48 -1.550 -8.527 -9.699 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -3.747 -8.050 -10.562 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -3.686 -9.645 -9.981 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 -4.459 -8.438 -9.070 1.00 0.00 H new ATOM 1167 N GLN B 49 1.135 -4.772 -6.330 1.00 0.00 N ATOM 1168 CA GLN B 49 1.200 -3.325 -6.159 1.00 0.00 C ATOM 1169 C GLN B 49 -0.111 -2.670 -6.586 1.00 0.00 C ATOM 1170 O GLN B 49 -0.636 -2.960 -7.661 1.00 0.00 O ATOM 1171 CB GLN B 49 2.361 -2.737 -6.968 1.00 0.00 C ATOM 1172 CG GLN B 49 3.744 -3.068 -6.419 1.00 0.00 C ATOM 1173 CD GLN B 49 4.095 -4.542 -6.511 1.00 0.00 C ATOM 1174 OE1 GLN B 49 3.488 -5.384 -5.849 1.00 0.00 O ATOM 1175 NE2 GLN B 49 5.086 -4.862 -7.334 1.00 0.00 N ATOM 0 H GLN B 49 1.690 -5.129 -7.108 1.00 0.00 H new ATOM 0 HA GLN B 49 1.367 -3.120 -5.102 1.00 0.00 H new ATOM 0 HB2 GLN B 49 2.294 -3.101 -7.993 1.00 0.00 H new ATOM 0 HB3 GLN B 49 2.249 -1.653 -7.006 1.00 0.00 H new ATOM 0 HG2 GLN B 49 4.490 -2.490 -6.964 1.00 0.00 H new ATOM 0 HG3 GLN B 49 3.797 -2.754 -5.376 1.00 0.00 H new ATOM 0 HE21 GLN B 49 5.563 -4.134 -7.865 1.00 0.00 H new ATOM 0 HE22 GLN B 49 5.370 -5.836 -7.436 1.00 0.00 H new ATOM 1184 N LEU B 50 -0.633 -1.786 -5.742 1.00 0.00 N ATOM 1185 CA LEU B 50 -1.885 -1.093 -6.040 1.00 0.00 C ATOM 1186 C LEU B 50 -1.706 -0.087 -7.174 1.00 0.00 C ATOM 1187 O LEU B 50 -0.851 0.796 -7.106 1.00 0.00 O ATOM 1188 CB LEU B 50 -2.415 -0.377 -4.794 1.00 0.00 C ATOM 1189 CG LEU B 50 -3.033 -1.282 -3.723 1.00 0.00 C ATOM 1190 CD1 LEU B 50 -1.991 -2.220 -3.134 1.00 0.00 C ATOM 1191 CD2 LEU B 50 -3.673 -0.444 -2.627 1.00 0.00 C ATOM 0 H LEU B 50 -0.211 -1.532 -4.849 1.00 0.00 H new ATOM 0 HA LEU B 50 -2.608 -1.845 -6.356 1.00 0.00 H new ATOM 0 HB2 LEU B 50 -1.596 0.183 -4.343 1.00 0.00 H new ATOM 0 HB3 LEU B 50 -3.164 0.350 -5.106 1.00 0.00 H new ATOM 0 HG LEU B 50 -3.805 -1.889 -4.196 1.00 0.00 H new ATOM 0 HD11 LEU B 50 -2.456 -2.851 -2.377 1.00 0.00 H new ATOM 0 HD12 LEU B 50 -1.577 -2.847 -3.924 1.00 0.00 H new ATOM 0 HD13 LEU B 50 -1.192 -1.636 -2.678 1.00 0.00 H new ATOM 0 HD21 LEU B 50 -4.108 -1.101 -1.874 1.00 0.00 H new ATOM 0 HD22 LEU B 50 -2.916 0.189 -2.164 1.00 0.00 H new ATOM 0 HD23 LEU B 50 -4.455 0.182 -3.057 1.00 0.00 H new ATOM 1203 N GLU B 51 -2.531 -0.221 -8.211 1.00 0.00 N ATOM 1204 CA GLU B 51 -2.478 0.683 -9.356 1.00 0.00 C ATOM 1205 C GLU B 51 -3.390 1.884 -9.131 1.00 0.00 C ATOM 1206 O GLU B 51 -4.542 1.730 -8.727 1.00 0.00 O ATOM 1207 CB GLU B 51 -2.884 -0.049 -10.637 1.00 0.00 C ATOM 1208 CG GLU B 51 -1.984 -1.227 -10.975 1.00 0.00 C ATOM 1209 CD GLU B 51 -2.402 -1.938 -12.248 1.00 0.00 C ATOM 1210 OE1 GLU B 51 -3.412 -1.525 -12.857 1.00 0.00 O ATOM 1211 OE2 GLU B 51 -1.720 -2.910 -12.636 1.00 0.00 O ATOM 0 H GLU B 51 -3.244 -0.947 -8.281 1.00 0.00 H new ATOM 0 HA GLU B 51 -1.452 1.036 -9.464 1.00 0.00 H new ATOM 0 HB2 GLU B 51 -3.909 -0.404 -10.534 1.00 0.00 H new ATOM 0 HB3 GLU B 51 -2.873 0.656 -11.468 1.00 0.00 H new ATOM 0 HG2 GLU B 51 -0.957 -0.876 -11.080 1.00 0.00 H new ATOM 0 HG3 GLU B 51 -1.995 -1.936 -10.147 1.00 0.00 H new ATOM 1218 N ASP B 52 -2.866 3.078 -9.388 1.00 0.00 N ATOM 1219 CA ASP B 52 -3.629 4.309 -9.205 1.00 0.00 C ATOM 1220 C ASP B 52 -4.908 4.309 -10.039 1.00 0.00 C ATOM 1221 O ASP B 52 -5.980 4.661 -9.545 1.00 0.00 O ATOM 1222 CB ASP B 52 -2.773 5.521 -9.577 1.00 0.00 C ATOM 1223 CG ASP B 52 -1.531 5.643 -8.715 1.00 0.00 C ATOM 1224 OD1 ASP B 52 -1.336 4.788 -7.825 1.00 0.00 O ATOM 1225 OD2 ASP B 52 -0.752 6.596 -8.929 1.00 0.00 O ATOM 0 H ASP B 52 -1.914 3.220 -9.725 1.00 0.00 H new ATOM 0 HA ASP B 52 -3.910 4.368 -8.154 1.00 0.00 H new ATOM 0 HB2 ASP B 52 -2.479 5.446 -10.624 1.00 0.00 H new ATOM 0 HB3 ASP B 52 -3.370 6.427 -9.478 1.00 0.00 H new ATOM 1230 N GLY B 53 -4.787 3.929 -11.307 1.00 0.00 N ATOM 1231 CA GLY B 53 -5.939 3.907 -12.192 1.00 0.00 C ATOM 1232 C GLY B 53 -6.834 2.697 -11.990 1.00 0.00 C ATOM 1233 O GLY B 53 -7.248 2.063 -12.960 1.00 0.00 O ATOM 0 H GLY B 53 -3.911 3.635 -11.739 1.00 0.00 H new ATOM 0 HA2 GLY B 53 -6.525 4.813 -12.036 1.00 0.00 H new ATOM 0 HA3 GLY B 53 -5.594 3.925 -13.226 1.00 0.00 H new ATOM 1237 N ARG B 54 -7.143 2.376 -10.736 1.00 0.00 N ATOM 1238 CA ARG B 54 -8.000 1.234 -10.434 1.00 0.00 C ATOM 1239 C ARG B 54 -8.884 1.507 -9.221 1.00 0.00 C ATOM 1240 O ARG B 54 -8.429 2.047 -8.212 1.00 0.00 O ATOM 1241 CB ARG B 54 -7.160 -0.019 -10.187 1.00 0.00 C ATOM 1242 CG ARG B 54 -6.480 -0.566 -11.433 1.00 0.00 C ATOM 1243 CD ARG B 54 -7.498 -1.011 -12.474 1.00 0.00 C ATOM 1244 NE ARG B 54 -6.875 -1.693 -13.607 1.00 0.00 N ATOM 1245 CZ ARG B 54 -6.008 -1.121 -14.440 1.00 0.00 C ATOM 1246 NH1 ARG B 54 -5.653 0.145 -14.273 1.00 0.00 N ATOM 1247 NH2 ARG B 54 -5.496 -1.819 -15.444 1.00 0.00 N ATOM 0 H ARG B 54 -6.815 2.888 -9.917 1.00 0.00 H new ATOM 0 HA ARG B 54 -8.643 1.070 -11.299 1.00 0.00 H new ATOM 0 HB2 ARG B 54 -6.399 0.208 -9.441 1.00 0.00 H new ATOM 0 HB3 ARG B 54 -7.799 -0.794 -9.765 1.00 0.00 H new ATOM 0 HG2 ARG B 54 -5.831 0.199 -11.860 1.00 0.00 H new ATOM 0 HG3 ARG B 54 -5.844 -1.408 -11.162 1.00 0.00 H new ATOM 0 HD2 ARG B 54 -8.224 -1.677 -12.007 1.00 0.00 H new ATOM 0 HD3 ARG B 54 -8.048 -0.142 -12.835 1.00 0.00 H new ATOM 0 HE ARG B 54 -7.120 -2.670 -13.770 1.00 0.00 H new ATOM 0 HH11 ARG B 54 -6.044 0.687 -13.503 1.00 0.00 H new ATOM 0 HH12 ARG B 54 -4.988 0.577 -14.915 1.00 0.00 H new ATOM 0 HH21 ARG B 54 -5.766 -2.793 -15.578 1.00 0.00 H new ATOM 0 HH22 ARG B 54 -4.832 -1.382 -16.083 1.00 0.00 H new ATOM 1261 N THR B 55 -10.151 1.125 -9.335 1.00 0.00 N ATOM 1262 CA THR B 55 -11.119 1.317 -8.261 1.00 0.00 C ATOM 1263 C THR B 55 -10.934 0.285 -7.154 1.00 0.00 C ATOM 1264 O THR B 55 -10.552 -0.856 -7.413 1.00 0.00 O ATOM 1265 CB THR B 55 -12.563 1.233 -8.786 1.00 0.00 C ATOM 1266 OG1 THR B 55 -12.794 -0.048 -9.384 1.00 0.00 O ATOM 1267 CG2 THR B 55 -12.832 2.330 -9.805 1.00 0.00 C ATOM 0 H THR B 55 -10.534 0.677 -10.167 1.00 0.00 H new ATOM 0 HA THR B 55 -10.942 2.313 -7.855 1.00 0.00 H new ATOM 0 HB THR B 55 -13.241 1.367 -7.943 1.00 0.00 H new ATOM 0 HG1 THR B 55 -13.485 -0.525 -8.879 1.00 0.00 H new ATOM 0 HG21 THR B 55 -13.859 2.251 -10.162 1.00 0.00 H new ATOM 0 HG22 THR B 55 -12.684 3.304 -9.339 1.00 0.00 H new ATOM 0 HG23 THR B 55 -12.146 2.222 -10.645 1.00 0.00 H new ATOM 1275 N LEU B 56 -11.212 0.696 -5.919 1.00 0.00 N ATOM 1276 CA LEU B 56 -11.082 -0.189 -4.765 1.00 0.00 C ATOM 1277 C LEU B 56 -11.915 -1.454 -4.953 1.00 0.00 C ATOM 1278 O LEU B 56 -11.488 -2.551 -4.590 1.00 0.00 O ATOM 1279 CB LEU B 56 -11.530 0.531 -3.490 1.00 0.00 C ATOM 1280 CG LEU B 56 -10.811 1.848 -3.191 1.00 0.00 C ATOM 1281 CD1 LEU B 56 -11.347 2.467 -1.910 1.00 0.00 C ATOM 1282 CD2 LEU B 56 -9.311 1.629 -3.083 1.00 0.00 C ATOM 0 H LEU B 56 -11.529 1.638 -5.692 1.00 0.00 H new ATOM 0 HA LEU B 56 -10.033 -0.469 -4.673 1.00 0.00 H new ATOM 0 HB2 LEU B 56 -12.599 0.729 -3.562 1.00 0.00 H new ATOM 0 HB3 LEU B 56 -11.387 -0.141 -2.644 1.00 0.00 H new ATOM 0 HG LEU B 56 -11.000 2.535 -4.016 1.00 0.00 H new ATOM 0 HD11 LEU B 56 -10.825 3.403 -1.712 1.00 0.00 H new ATOM 0 HD12 LEU B 56 -12.414 2.663 -2.019 1.00 0.00 H new ATOM 0 HD13 LEU B 56 -11.187 1.780 -1.079 1.00 0.00 H new ATOM 0 HD21 LEU B 56 -8.819 2.578 -2.870 1.00 0.00 H new ATOM 0 HD22 LEU B 56 -9.103 0.924 -2.278 1.00 0.00 H new ATOM 0 HD23 LEU B 56 -8.933 1.228 -4.023 1.00 0.00 H new ATOM 1294 N SER B 57 -13.109 -1.286 -5.513 1.00 0.00 N ATOM 1295 CA SER B 57 -14.022 -2.402 -5.745 1.00 0.00 C ATOM 1296 C SER B 57 -13.347 -3.529 -6.523 1.00 0.00 C ATOM 1297 O SER B 57 -13.591 -4.706 -6.258 1.00 0.00 O ATOM 1298 CB SER B 57 -15.260 -1.921 -6.503 1.00 0.00 C ATOM 1299 OG SER B 57 -14.910 -1.411 -7.778 1.00 0.00 O ATOM 0 H SER B 57 -13.469 -0.381 -5.817 1.00 0.00 H new ATOM 0 HA SER B 57 -14.318 -2.794 -4.772 1.00 0.00 H new ATOM 0 HB2 SER B 57 -15.963 -2.746 -6.618 1.00 0.00 H new ATOM 0 HB3 SER B 57 -15.767 -1.148 -5.925 1.00 0.00 H new ATOM 0 HG SER B 57 -15.719 -1.111 -8.244 1.00 0.00 H new ATOM 1305 N ASP B 58 -12.510 -3.163 -7.489 1.00 0.00 N ATOM 1306 CA ASP B 58 -11.810 -4.148 -8.311 1.00 0.00 C ATOM 1307 C ASP B 58 -11.033 -5.141 -7.451 1.00 0.00 C ATOM 1308 O ASP B 58 -11.137 -6.353 -7.640 1.00 0.00 O ATOM 1309 CB ASP B 58 -10.854 -3.446 -9.277 1.00 0.00 C ATOM 1310 CG ASP B 58 -10.097 -4.425 -10.154 1.00 0.00 C ATOM 1311 OD1 ASP B 58 -10.752 -5.186 -10.897 1.00 0.00 O ATOM 1312 OD2 ASP B 58 -8.850 -4.430 -10.097 1.00 0.00 O ATOM 0 H ASP B 58 -12.299 -2.193 -7.723 1.00 0.00 H new ATOM 0 HA ASP B 58 -12.560 -4.700 -8.877 1.00 0.00 H new ATOM 0 HB2 ASP B 58 -11.418 -2.759 -9.907 1.00 0.00 H new ATOM 0 HB3 ASP B 58 -10.143 -2.846 -8.709 1.00 0.00 H new ATOM 1317 N TYR B 59 -10.250 -4.620 -6.512 1.00 0.00 N ATOM 1318 CA TYR B 59 -9.449 -5.461 -5.627 1.00 0.00 C ATOM 1319 C TYR B 59 -10.317 -6.145 -4.576 1.00 0.00 C ATOM 1320 O TYR B 59 -9.929 -7.170 -4.014 1.00 0.00 O ATOM 1321 CB TYR B 59 -8.355 -4.637 -4.938 1.00 0.00 C ATOM 1322 CG TYR B 59 -7.381 -3.988 -5.896 1.00 0.00 C ATOM 1323 CD1 TYR B 59 -7.792 -2.988 -6.769 1.00 0.00 C ATOM 1324 CD2 TYR B 59 -6.047 -4.371 -5.921 1.00 0.00 C ATOM 1325 CE1 TYR B 59 -6.902 -2.390 -7.639 1.00 0.00 C ATOM 1326 CE2 TYR B 59 -5.150 -3.777 -6.788 1.00 0.00 C ATOM 1327 CZ TYR B 59 -5.583 -2.788 -7.645 1.00 0.00 C ATOM 1328 OH TYR B 59 -4.695 -2.195 -8.511 1.00 0.00 O ATOM 0 H TYR B 59 -10.152 -3.619 -6.343 1.00 0.00 H new ATOM 0 HA TYR B 59 -8.982 -6.230 -6.243 1.00 0.00 H new ATOM 0 HB2 TYR B 59 -8.825 -3.862 -4.333 1.00 0.00 H new ATOM 0 HB3 TYR B 59 -7.802 -5.283 -4.256 1.00 0.00 H new ATOM 0 HD1 TYR B 59 -8.825 -2.673 -6.767 1.00 0.00 H new ATOM 0 HD2 TYR B 59 -5.705 -5.146 -5.252 1.00 0.00 H new ATOM 0 HE1 TYR B 59 -7.238 -1.614 -8.311 1.00 0.00 H new ATOM 0 HE2 TYR B 59 -4.115 -4.086 -6.794 1.00 0.00 H new ATOM 0 HH TYR B 59 -5.161 -1.519 -9.046 1.00 0.00 H new ATOM 1338 N ASN B 60 -11.482 -5.561 -4.301 1.00 0.00 N ATOM 1339 CA ASN B 60 -12.397 -6.103 -3.301 1.00 0.00 C ATOM 1340 C ASN B 60 -11.750 -6.065 -1.921 1.00 0.00 C ATOM 1341 O ASN B 60 -11.879 -7.002 -1.132 1.00 0.00 O ATOM 1342 CB ASN B 60 -12.803 -7.539 -3.651 1.00 0.00 C ATOM 1343 CG ASN B 60 -13.540 -7.629 -4.973 1.00 0.00 C ATOM 1344 OD1 ASN B 60 -12.997 -7.291 -6.024 1.00 0.00 O ATOM 1345 ND2 ASN B 60 -14.787 -8.084 -4.925 1.00 0.00 N ATOM 0 H ASN B 60 -11.814 -4.712 -4.758 1.00 0.00 H new ATOM 0 HA ASN B 60 -13.295 -5.485 -3.292 1.00 0.00 H new ATOM 0 HB2 ASN B 60 -11.912 -8.165 -3.692 1.00 0.00 H new ATOM 0 HB3 ASN B 60 -13.436 -7.938 -2.858 1.00 0.00 H new ATOM 0 HD21 ASN B 60 -15.334 -8.164 -5.782 1.00 0.00 H new ATOM 0 HD22 ASN B 60 -15.198 -8.353 -4.031 1.00 0.00 H new ATOM 1352 N ILE B 61 -11.049 -4.971 -1.643 1.00 0.00 N ATOM 1353 CA ILE B 61 -10.371 -4.795 -0.365 1.00 0.00 C ATOM 1354 C ILE B 61 -11.371 -4.760 0.788 1.00 0.00 C ATOM 1355 O ILE B 61 -12.318 -3.975 0.777 1.00 0.00 O ATOM 1356 CB ILE B 61 -9.538 -3.496 -0.357 1.00 0.00 C ATOM 1357 CG1 ILE B 61 -8.547 -3.498 -1.526 1.00 0.00 C ATOM 1358 CG2 ILE B 61 -8.806 -3.340 0.968 1.00 0.00 C ATOM 1359 CD1 ILE B 61 -7.741 -2.222 -1.645 1.00 0.00 C ATOM 0 H ILE B 61 -10.936 -4.190 -2.289 1.00 0.00 H new ATOM 0 HA ILE B 61 -9.706 -5.648 -0.231 1.00 0.00 H new ATOM 0 HB ILE B 61 -10.212 -2.647 -0.475 1.00 0.00 H new ATOM 0 HG12 ILE B 61 -7.864 -4.339 -1.409 1.00 0.00 H new ATOM 0 HG13 ILE B 61 -9.095 -3.659 -2.454 1.00 0.00 H new ATOM 0 HG21 ILE B 61 -8.224 -2.419 0.956 1.00 0.00 H new ATOM 0 HG22 ILE B 61 -9.530 -3.301 1.781 1.00 0.00 H new ATOM 0 HG23 ILE B 61 -8.139 -4.189 1.117 1.00 0.00 H new ATOM 0 HD11 ILE B 61 -7.062 -2.298 -2.494 1.00 0.00 H new ATOM 0 HD12 ILE B 61 -8.415 -1.378 -1.794 1.00 0.00 H new ATOM 0 HD13 ILE B 61 -7.165 -2.069 -0.733 1.00 0.00 H new ATOM 1371 N GLN B 62 -11.152 -5.618 1.781 1.00 0.00 N ATOM 1372 CA GLN B 62 -12.033 -5.684 2.944 1.00 0.00 C ATOM 1373 C GLN B 62 -11.740 -4.544 3.916 1.00 0.00 C ATOM 1374 O GLN B 62 -10.594 -4.118 4.058 1.00 0.00 O ATOM 1375 CB GLN B 62 -11.903 -7.035 3.657 1.00 0.00 C ATOM 1376 CG GLN B 62 -10.516 -7.316 4.219 1.00 0.00 C ATOM 1377 CD GLN B 62 -9.477 -7.547 3.140 1.00 0.00 C ATOM 1378 OE1 GLN B 62 -8.414 -6.753 3.162 1.00 0.00 O flip ATOM 1379 NE2 GLN B 62 -9.625 -8.433 2.298 1.00 0.00 N flip ATOM 0 H GLN B 62 -10.373 -6.276 1.804 1.00 0.00 H new ATOM 0 HA GLN B 62 -13.058 -5.580 2.588 1.00 0.00 H new ATOM 0 HB2 GLN B 62 -12.627 -7.074 4.471 1.00 0.00 H new ATOM 0 HB3 GLN B 62 -12.167 -7.829 2.958 1.00 0.00 H new ATOM 0 HG2 GLN B 62 -10.205 -6.477 4.842 1.00 0.00 H new ATOM 0 HG3 GLN B 62 -10.562 -8.193 4.865 1.00 0.00 H new ATOM 0 HE21 GLN B 62 -10.458 -9.021 2.318 1.00 0.00 H new ATOM 0 HE22 GLN B 62 -8.915 -8.579 1.581 1.00 0.00 H new ATOM 1388 N LYS B 63 -12.786 -4.053 4.576 1.00 0.00 N ATOM 1389 CA LYS B 63 -12.650 -2.958 5.533 1.00 0.00 C ATOM 1390 C LYS B 63 -11.563 -3.252 6.563 1.00 0.00 C ATOM 1391 O LYS B 63 -11.357 -4.402 6.953 1.00 0.00 O ATOM 1392 CB LYS B 63 -13.983 -2.700 6.240 1.00 0.00 C ATOM 1393 CG LYS B 63 -14.513 -3.906 6.999 1.00 0.00 C ATOM 1394 CD LYS B 63 -15.858 -3.616 7.651 1.00 0.00 C ATOM 1395 CE LYS B 63 -15.745 -2.534 8.715 1.00 0.00 C ATOM 1396 NZ LYS B 63 -17.048 -2.273 9.386 1.00 0.00 N ATOM 0 H LYS B 63 -13.740 -4.397 4.465 1.00 0.00 H new ATOM 0 HA LYS B 63 -12.360 -2.066 4.978 1.00 0.00 H new ATOM 0 HB2 LYS B 63 -13.861 -1.869 6.935 1.00 0.00 H new ATOM 0 HB3 LYS B 63 -14.723 -2.392 5.501 1.00 0.00 H new ATOM 0 HG2 LYS B 63 -14.614 -4.750 6.316 1.00 0.00 H new ATOM 0 HG3 LYS B 63 -13.794 -4.199 7.764 1.00 0.00 H new ATOM 0 HD2 LYS B 63 -16.572 -3.304 6.889 1.00 0.00 H new ATOM 0 HD3 LYS B 63 -16.249 -4.529 8.100 1.00 0.00 H new ATOM 0 HE2 LYS B 63 -15.007 -2.833 9.460 1.00 0.00 H new ATOM 0 HE3 LYS B 63 -15.381 -1.613 8.259 1.00 0.00 H new ATOM 0 HZ1 LYS B 63 -16.926 -1.530 10.103 1.00 0.00 H new ATOM 0 HZ2 LYS B 63 -17.746 -1.962 8.680 1.00 0.00 H new ATOM 0 HZ3 LYS B 63 -17.383 -3.144 9.844 1.00 0.00 H new ATOM 1410 N GLU B 64 -10.869 -2.199 6.992 1.00 0.00 N ATOM 1411 CA GLU B 64 -9.794 -2.321 7.974 1.00 0.00 C ATOM 1412 C GLU B 64 -8.648 -3.168 7.428 1.00 0.00 C ATOM 1413 O GLU B 64 -8.071 -3.990 8.143 1.00 0.00 O ATOM 1414 CB GLU B 64 -10.323 -2.925 9.277 1.00 0.00 C ATOM 1415 CG GLU B 64 -11.408 -2.093 9.945 1.00 0.00 C ATOM 1416 CD GLU B 64 -10.924 -0.716 10.364 1.00 0.00 C ATOM 1417 OE1 GLU B 64 -10.539 0.077 9.478 1.00 0.00 O ATOM 1418 OE2 GLU B 64 -10.931 -0.431 11.580 1.00 0.00 O ATOM 0 H GLU B 64 -11.034 -1.245 6.672 1.00 0.00 H new ATOM 0 HA GLU B 64 -9.413 -1.321 8.180 1.00 0.00 H new ATOM 0 HB2 GLU B 64 -10.717 -3.920 9.071 1.00 0.00 H new ATOM 0 HB3 GLU B 64 -9.493 -3.048 9.973 1.00 0.00 H new ATOM 0 HG2 GLU B 64 -12.249 -1.984 9.260 1.00 0.00 H new ATOM 0 HG3 GLU B 64 -11.778 -2.625 10.822 1.00 0.00 H new ATOM 1425 N SER B 65 -8.321 -2.957 6.158 1.00 0.00 N ATOM 1426 CA SER B 65 -7.242 -3.694 5.510 1.00 0.00 C ATOM 1427 C SER B 65 -5.904 -2.986 5.694 1.00 0.00 C ATOM 1428 O SER B 65 -5.824 -1.758 5.614 1.00 0.00 O ATOM 1429 CB SER B 65 -7.533 -3.866 4.021 1.00 0.00 C ATOM 1430 OG SER B 65 -6.489 -4.576 3.376 1.00 0.00 O ATOM 0 H SER B 65 -8.789 -2.280 5.555 1.00 0.00 H new ATOM 0 HA SER B 65 -7.181 -4.676 5.980 1.00 0.00 H new ATOM 0 HB2 SER B 65 -8.475 -4.399 3.890 1.00 0.00 H new ATOM 0 HB3 SER B 65 -7.654 -2.888 3.555 1.00 0.00 H new ATOM 0 HG SER B 65 -6.806 -5.469 3.127 1.00 0.00 H new ATOM 1436 N THR B 66 -4.856 -3.768 5.933 1.00 0.00 N ATOM 1437 CA THR B 66 -3.518 -3.218 6.118 1.00 0.00 C ATOM 1438 C THR B 66 -2.760 -3.167 4.793 1.00 0.00 C ATOM 1439 O THR B 66 -2.587 -4.189 4.128 1.00 0.00 O ATOM 1440 CB THR B 66 -2.706 -4.046 7.132 1.00 0.00 C ATOM 1441 OG1 THR B 66 -3.381 -4.074 8.395 1.00 0.00 O ATOM 1442 CG2 THR B 66 -1.310 -3.466 7.314 1.00 0.00 C ATOM 0 H THR B 66 -4.908 -4.784 6.003 1.00 0.00 H new ATOM 0 HA THR B 66 -3.640 -2.206 6.504 1.00 0.00 H new ATOM 0 HB THR B 66 -2.614 -5.061 6.745 1.00 0.00 H new ATOM 0 HG1 THR B 66 -2.859 -4.604 9.033 1.00 0.00 H new ATOM 0 HG21 THR B 66 -0.757 -4.068 8.035 1.00 0.00 H new ATOM 0 HG22 THR B 66 -0.786 -3.472 6.358 1.00 0.00 H new ATOM 0 HG23 THR B 66 -1.386 -2.442 7.680 1.00 0.00 H new ATOM 1450 N LEU B 67 -2.304 -1.976 4.421 1.00 0.00 N ATOM 1451 CA LEU B 67 -1.557 -1.794 3.181 1.00 0.00 C ATOM 1452 C LEU B 67 -0.078 -1.558 3.468 1.00 0.00 C ATOM 1453 O LEU B 67 0.273 -0.720 4.295 1.00 0.00 O ATOM 1454 CB LEU B 67 -2.126 -0.623 2.377 1.00 0.00 C ATOM 1455 CG LEU B 67 -3.462 -0.894 1.678 1.00 0.00 C ATOM 1456 CD1 LEU B 67 -3.341 -2.072 0.725 1.00 0.00 C ATOM 1457 CD2 LEU B 67 -4.568 -1.140 2.694 1.00 0.00 C ATOM 0 H LEU B 67 -2.439 -1.121 4.961 1.00 0.00 H new ATOM 0 HA LEU B 67 -1.656 -2.706 2.593 1.00 0.00 H new ATOM 0 HB2 LEU B 67 -2.251 0.228 3.046 1.00 0.00 H new ATOM 0 HB3 LEU B 67 -1.394 -0.331 1.624 1.00 0.00 H new ATOM 0 HG LEU B 67 -3.724 -0.009 1.099 1.00 0.00 H new ATOM 0 HD11 LEU B 67 -4.301 -2.247 0.239 1.00 0.00 H new ATOM 0 HD12 LEU B 67 -2.587 -1.853 -0.031 1.00 0.00 H new ATOM 0 HD13 LEU B 67 -3.048 -2.962 1.282 1.00 0.00 H new ATOM 0 HD21 LEU B 67 -5.506 -1.330 2.172 1.00 0.00 H new ATOM 0 HD22 LEU B 67 -4.313 -2.004 3.308 1.00 0.00 H new ATOM 0 HD23 LEU B 67 -4.679 -0.263 3.331 1.00 0.00 H new ATOM 1469 N HIS B 68 0.787 -2.299 2.783 1.00 0.00 N ATOM 1470 CA HIS B 68 2.227 -2.156 2.974 1.00 0.00 C ATOM 1471 C HIS B 68 2.771 -0.989 2.154 1.00 0.00 C ATOM 1472 O HIS B 68 2.342 -0.764 1.024 1.00 0.00 O ATOM 1473 CB HIS B 68 2.945 -3.448 2.592 1.00 0.00 C ATOM 1474 CG HIS B 68 2.571 -4.620 3.446 1.00 0.00 C ATOM 1475 ND1 HIS B 68 2.799 -4.664 4.805 1.00 0.00 N ATOM 1476 CD2 HIS B 68 1.986 -5.800 3.127 1.00 0.00 C ATOM 1477 CE1 HIS B 68 2.372 -5.818 5.285 1.00 0.00 C ATOM 1478 NE2 HIS B 68 1.874 -6.526 4.288 1.00 0.00 N ATOM 0 H HIS B 68 0.518 -3.001 2.094 1.00 0.00 H new ATOM 0 HA HIS B 68 2.411 -1.950 4.028 1.00 0.00 H new ATOM 0 HB2 HIS B 68 2.723 -3.683 1.551 1.00 0.00 H new ATOM 0 HB3 HIS B 68 4.021 -3.289 2.660 1.00 0.00 H new ATOM 0 HD2 HIS B 68 1.667 -6.112 2.143 1.00 0.00 H new ATOM 0 HE1 HIS B 68 2.422 -6.130 6.318 1.00 0.00 H new ATOM 0 HE2 HIS B 68 1.472 -7.460 4.367 1.00 0.00 H new ATOM 1487 N LEU B 69 3.712 -0.243 2.729 1.00 0.00 N ATOM 1488 CA LEU B 69 4.299 0.905 2.041 1.00 0.00 C ATOM 1489 C LEU B 69 5.812 0.742 1.889 1.00 0.00 C ATOM 1490 O LEU B 69 6.495 0.292 2.809 1.00 0.00 O ATOM 1491 CB LEU B 69 3.969 2.198 2.801 1.00 0.00 C ATOM 1492 CG LEU B 69 4.282 3.505 2.060 1.00 0.00 C ATOM 1493 CD1 LEU B 69 3.510 4.661 2.676 1.00 0.00 C ATOM 1494 CD2 LEU B 69 5.774 3.806 2.088 1.00 0.00 C ATOM 0 H LEU B 69 4.083 -0.411 3.664 1.00 0.00 H new ATOM 0 HA LEU B 69 3.869 0.963 1.041 1.00 0.00 H new ATOM 0 HB2 LEU B 69 2.908 2.189 3.052 1.00 0.00 H new ATOM 0 HB3 LEU B 69 4.519 2.195 3.742 1.00 0.00 H new ATOM 0 HG LEU B 69 3.974 3.383 1.021 1.00 0.00 H new ATOM 0 HD11 LEU B 69 3.743 5.581 2.139 1.00 0.00 H new ATOM 0 HD12 LEU B 69 2.441 4.462 2.608 1.00 0.00 H new ATOM 0 HD13 LEU B 69 3.793 4.770 3.723 1.00 0.00 H new ATOM 0 HD21 LEU B 69 5.967 4.737 1.556 1.00 0.00 H new ATOM 0 HD22 LEU B 69 6.106 3.903 3.122 1.00 0.00 H new ATOM 0 HD23 LEU B 69 6.318 2.993 1.607 1.00 0.00 H new ATOM 1506 N VAL B 70 6.329 1.130 0.722 1.00 0.00 N ATOM 1507 CA VAL B 70 7.760 1.049 0.443 1.00 0.00 C ATOM 1508 C VAL B 70 8.222 2.316 -0.272 1.00 0.00 C ATOM 1509 O VAL B 70 7.687 2.674 -1.321 1.00 0.00 O ATOM 1510 CB VAL B 70 8.110 -0.173 -0.433 1.00 0.00 C ATOM 1511 CG1 VAL B 70 9.619 -0.327 -0.564 1.00 0.00 C ATOM 1512 CG2 VAL B 70 7.488 -1.444 0.125 1.00 0.00 C ATOM 0 H VAL B 70 5.773 1.505 -0.047 1.00 0.00 H new ATOM 0 HA VAL B 70 8.271 0.943 1.400 1.00 0.00 H new ATOM 0 HB VAL B 70 7.694 -0.003 -1.426 1.00 0.00 H new ATOM 0 HG11 VAL B 70 9.844 -1.194 -1.185 1.00 0.00 H new ATOM 0 HG12 VAL B 70 10.037 0.568 -1.025 1.00 0.00 H new ATOM 0 HG13 VAL B 70 10.058 -0.465 0.424 1.00 0.00 H new ATOM 0 HG21 VAL B 70 7.751 -2.288 -0.512 1.00 0.00 H new ATOM 0 HG22 VAL B 70 7.862 -1.620 1.133 1.00 0.00 H new ATOM 0 HG23 VAL B 70 6.404 -1.336 0.154 1.00 0.00 H new ATOM 1522 N LEU B 71 9.204 2.998 0.308 1.00 0.00 N ATOM 1523 CA LEU B 71 9.722 4.235 -0.270 1.00 0.00 C ATOM 1524 C LEU B 71 10.631 3.958 -1.464 1.00 0.00 C ATOM 1525 O LEU B 71 11.550 3.145 -1.379 1.00 0.00 O ATOM 1526 CB LEU B 71 10.485 5.044 0.788 1.00 0.00 C ATOM 1527 CG LEU B 71 9.648 5.556 1.969 1.00 0.00 C ATOM 1528 CD1 LEU B 71 8.446 6.347 1.476 1.00 0.00 C ATOM 1529 CD2 LEU B 71 9.206 4.406 2.863 1.00 0.00 C ATOM 0 H LEU B 71 9.658 2.716 1.177 1.00 0.00 H new ATOM 0 HA LEU B 71 8.868 4.815 -0.620 1.00 0.00 H new ATOM 0 HB2 LEU B 71 11.291 4.424 1.180 1.00 0.00 H new ATOM 0 HB3 LEU B 71 10.950 5.900 0.298 1.00 0.00 H new ATOM 0 HG LEU B 71 10.275 6.222 2.562 1.00 0.00 H new ATOM 0 HD11 LEU B 71 7.868 6.700 2.330 1.00 0.00 H new ATOM 0 HD12 LEU B 71 8.787 7.201 0.891 1.00 0.00 H new ATOM 0 HD13 LEU B 71 7.820 5.708 0.853 1.00 0.00 H new ATOM 0 HD21 LEU B 71 8.615 4.796 3.692 1.00 0.00 H new ATOM 0 HD22 LEU B 71 8.603 3.706 2.284 1.00 0.00 H new ATOM 0 HD23 LEU B 71 10.084 3.891 3.254 1.00 0.00 H new ATOM 1541 N ARG B 72 10.373 4.653 -2.572 1.00 0.00 N ATOM 1542 CA ARG B 72 11.174 4.500 -3.786 1.00 0.00 C ATOM 1543 C ARG B 72 12.546 5.150 -3.613 1.00 0.00 C ATOM 1544 O ARG B 72 12.815 6.211 -4.178 1.00 0.00 O ATOM 1545 CB ARG B 72 10.459 5.121 -4.991 1.00 0.00 C ATOM 1546 CG ARG B 72 9.140 4.453 -5.348 1.00 0.00 C ATOM 1547 CD ARG B 72 8.522 5.089 -6.585 1.00 0.00 C ATOM 1548 NE ARG B 72 7.253 4.467 -6.955 1.00 0.00 N ATOM 1549 CZ ARG B 72 6.533 4.835 -8.011 1.00 0.00 C ATOM 1550 NH1 ARG B 72 6.962 5.806 -8.806 1.00 0.00 N ATOM 1551 NH2 ARG B 72 5.382 4.232 -8.275 1.00 0.00 N ATOM 0 H ARG B 72 9.614 5.329 -2.654 1.00 0.00 H new ATOM 0 HA ARG B 72 11.307 3.433 -3.965 1.00 0.00 H new ATOM 0 HB2 ARG B 72 10.275 6.176 -4.786 1.00 0.00 H new ATOM 0 HB3 ARG B 72 11.122 5.075 -5.855 1.00 0.00 H new ATOM 0 HG2 ARG B 72 9.303 3.390 -5.525 1.00 0.00 H new ATOM 0 HG3 ARG B 72 8.449 4.534 -4.509 1.00 0.00 H new ATOM 0 HD2 ARG B 72 8.363 6.152 -6.403 1.00 0.00 H new ATOM 0 HD3 ARG B 72 9.220 5.009 -7.419 1.00 0.00 H new ATOM 0 HE ARG B 72 6.900 3.709 -6.371 1.00 0.00 H new ATOM 0 HH11 ARG B 72 7.847 6.273 -8.609 1.00 0.00 H new ATOM 0 HH12 ARG B 72 6.407 6.085 -9.615 1.00 0.00 H new ATOM 0 HH21 ARG B 72 5.047 3.484 -7.668 1.00 0.00 H new ATOM 0 HH22 ARG B 72 4.832 4.516 -9.085 1.00 0.00 H new ATOM 1565 N LEU B 73 13.403 4.507 -2.822 1.00 0.00 N ATOM 1566 CA LEU B 73 14.751 5.011 -2.553 1.00 0.00 C ATOM 1567 C LEU B 73 14.700 6.305 -1.750 1.00 0.00 C ATOM 1568 O LEU B 73 13.947 7.224 -2.073 1.00 0.00 O ATOM 1569 CB LEU B 73 15.535 5.241 -3.851 1.00 0.00 C ATOM 1570 CG LEU B 73 15.907 3.977 -4.633 1.00 0.00 C ATOM 1571 CD1 LEU B 73 14.670 3.321 -5.225 1.00 0.00 C ATOM 1572 CD2 LEU B 73 16.912 4.308 -5.726 1.00 0.00 C ATOM 0 H LEU B 73 13.186 3.628 -2.352 1.00 0.00 H new ATOM 0 HA LEU B 73 15.266 4.249 -1.968 1.00 0.00 H new ATOM 0 HB2 LEU B 73 14.945 5.888 -4.501 1.00 0.00 H new ATOM 0 HB3 LEU B 73 16.451 5.780 -3.610 1.00 0.00 H new ATOM 0 HG LEU B 73 16.365 3.270 -3.941 1.00 0.00 H new ATOM 0 HD11 LEU B 73 14.961 2.426 -5.775 1.00 0.00 H new ATOM 0 HD12 LEU B 73 13.984 3.047 -4.423 1.00 0.00 H new ATOM 0 HD13 LEU B 73 14.177 4.019 -5.902 1.00 0.00 H new ATOM 0 HD21 LEU B 73 17.167 3.400 -6.273 1.00 0.00 H new ATOM 0 HD22 LEU B 73 16.477 5.035 -6.412 1.00 0.00 H new ATOM 0 HD23 LEU B 73 17.813 4.726 -5.277 1.00 0.00 H new ATOM 1584 N ARG B 74 15.510 6.369 -0.700 1.00 0.00 N ATOM 1585 CA ARG B 74 15.564 7.547 0.153 1.00 0.00 C ATOM 1586 C ARG B 74 16.017 8.770 -0.635 1.00 0.00 C ATOM 1587 O ARG B 74 16.983 8.708 -1.397 1.00 0.00 O ATOM 1588 CB ARG B 74 16.506 7.301 1.332 1.00 0.00 C ATOM 1589 CG ARG B 74 16.063 6.158 2.231 1.00 0.00 C ATOM 1590 CD ARG B 74 17.031 5.945 3.382 1.00 0.00 C ATOM 1591 NE ARG B 74 18.370 5.598 2.914 1.00 0.00 N ATOM 1592 CZ ARG B 74 19.397 5.365 3.726 1.00 0.00 C ATOM 1593 NH1 ARG B 74 19.239 5.444 5.040 1.00 0.00 N ATOM 1594 NH2 ARG B 74 20.584 5.054 3.223 1.00 0.00 N ATOM 0 H ARG B 74 16.139 5.617 -0.420 1.00 0.00 H new ATOM 0 HA ARG B 74 14.561 7.739 0.533 1.00 0.00 H new ATOM 0 HB2 ARG B 74 17.505 7.088 0.951 1.00 0.00 H new ATOM 0 HB3 ARG B 74 16.579 8.213 1.925 1.00 0.00 H new ATOM 0 HG2 ARG B 74 15.069 6.369 2.625 1.00 0.00 H new ATOM 0 HG3 ARG B 74 15.986 5.242 1.645 1.00 0.00 H new ATOM 0 HD2 ARG B 74 17.082 6.851 3.986 1.00 0.00 H new ATOM 0 HD3 ARG B 74 16.656 5.152 4.029 1.00 0.00 H new ATOM 0 HE ARG B 74 18.526 5.531 1.908 1.00 0.00 H new ATOM 0 HH11 ARG B 74 18.328 5.684 5.431 1.00 0.00 H new ATOM 0 HH12 ARG B 74 20.029 5.265 5.660 1.00 0.00 H new ATOM 0 HH21 ARG B 74 20.710 4.993 2.213 1.00 0.00 H new ATOM 0 HH22 ARG B 74 21.371 4.875 3.847 1.00 0.00 H new ATOM 1608 N GLY B 75 15.311 9.880 -0.448 1.00 0.00 N ATOM 1609 CA GLY B 75 15.653 11.104 -1.148 1.00 0.00 C ATOM 1610 C GLY B 75 17.027 11.619 -0.773 1.00 0.00 C ATOM 1611 O GLY B 75 17.374 11.677 0.407 1.00 0.00 O ATOM 0 H GLY B 75 14.508 9.954 0.176 1.00 0.00 H new ATOM 0 HA2 GLY B 75 15.615 10.927 -2.223 1.00 0.00 H new ATOM 0 HA3 GLY B 75 14.908 11.868 -0.924 1.00 0.00 H new ATOM 1615 N GLY B 76 17.812 11.992 -1.779 1.00 0.00 N ATOM 1616 CA GLY B 76 19.149 12.498 -1.530 1.00 0.00 C ATOM 1617 C GLY B 76 20.022 11.494 -0.803 1.00 0.00 C ATOM 1618 O GLY B 76 20.958 11.923 -0.096 1.00 0.00 O ATOM 1619 OXT GLY B 76 19.767 10.279 -0.940 1.00 0.00 O ATOM 0 H GLY B 76 17.546 11.953 -2.763 1.00 0.00 H new ATOM 0 HA2 GLY B 76 19.617 12.762 -2.478 1.00 0.00 H new ATOM 0 HA3 GLY B 76 19.084 13.413 -0.941 1.00 0.00 H new TER 1623 GLY B 76