USER MOD reduce.3.24.130724 H: found=0, std=0, add=818, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 818 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 102 GLN : amide:sc= 1.03 K(o=3.2,f=-2.7) USER MOD Set 1.2: A 105 LYS NZ :NH3+ -158:sc= 2.17 (180deg=0.95) USER MOD Set 2.1: A 69 SER OG : rot 169:sc= 1.42 USER MOD Set 2.2: A 76 GLN : amide:sc= 1.87 K(o=3.3,f=0.86) USER MOD Set 3.1: A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 52 SER OG : rot -140:sc= 1.28 USER MOD Set 4.1: A 32 GLN : amide:sc= 0.554 K(o=1.8,f=-1.7) USER MOD Set 4.2: A 36 SER OG : rot -131:sc= 1.25 USER MOD Set 5.1: A 19 LYS NZ :NH3+ 155:sc= 1.34 (180deg=0.995) USER MOD Set 5.2: A 109 SER OG : rot 50:sc= 1.27 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 74:sc= 1.23 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot -75:sc= 1.14 USER MOD Single : A 17 SER OG : rot 78:sc= 1.24 USER MOD Single : A 18 HIS : no HD1:sc= -0.0272 X(o=-0.027,f=-0.027) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.285 USER MOD Single : A 28 LYS NZ :NH3+ -177:sc= 1.24 (180deg=1.23) USER MOD Single : A 33 CYS SG : rot 180:sc= -0.248 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 THR OG1 : rot 84:sc= 1.23 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 94:sc= 1.27 USER MOD Single : A 47 ASN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 54 ASN : amide:sc= -0.195 K(o=-0.19,f=-2.5) USER MOD Single : A 58 ASN : amide:sc= 0.447 K(o=0.45,f=-5.1!) USER MOD Single : A 63 GLN : amide:sc= 0.864 K(o=0.86,f=-5!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 82:sc= 1.22 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot 180:sc= 0.00842 USER MOD Single : A 90 THR OG1 : rot -40:sc= 0.0339 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ -179:sc= 1.22 (180deg=1.2) USER MOD Single : A 96 SER OG : rot 178:sc= 1.17 USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=-0.098) USER MOD Single : A 107 MET CE :methyl 169:sc= 0 (180deg=-0.119) USER MOD Single : A 108 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 77 N ALA A 6 -3.448 8.200 -8.627 1.00 0.00 N ATOM 78 CA ALA A 6 -3.897 9.576 -8.394 1.00 0.00 C ATOM 79 C ALA A 6 -2.903 10.396 -7.552 1.00 0.00 C ATOM 80 O ALA A 6 -2.637 11.555 -7.879 1.00 0.00 O ATOM 81 CB ALA A 6 -5.283 9.518 -7.734 1.00 0.00 C ATOM 0 HA ALA A 6 -3.955 10.095 -9.351 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -5.641 10.531 -7.549 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -5.979 9.002 -8.395 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -5.214 8.980 -6.789 1.00 0.00 H new ATOM 87 N LEU A 7 -2.303 9.795 -6.514 1.00 0.00 N ATOM 88 CA LEU A 7 -1.255 10.421 -5.697 1.00 0.00 C ATOM 89 C LEU A 7 -0.044 10.749 -6.570 1.00 0.00 C ATOM 90 O LEU A 7 0.353 11.909 -6.658 1.00 0.00 O ATOM 91 CB LEU A 7 -0.936 9.480 -4.513 1.00 0.00 C ATOM 92 CG LEU A 7 0.126 9.982 -3.506 1.00 0.00 C ATOM 93 CD1 LEU A 7 -0.067 9.252 -2.170 1.00 0.00 C ATOM 94 CD2 LEU A 7 1.572 9.745 -3.976 1.00 0.00 C ATOM 0 H LEU A 7 -2.536 8.848 -6.215 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.585 11.372 -5.278 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -1.861 9.289 -3.968 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -0.601 8.524 -4.916 1.00 0.00 H new ATOM 0 HG LEU A 7 -0.018 11.058 -3.409 1.00 0.00 H new ATOM 0 HD11 LEU A 7 0.678 9.600 -1.454 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -1.065 9.458 -1.784 1.00 0.00 H new ATOM 0 HD13 LEU A 7 0.049 8.179 -2.322 1.00 0.00 H new ATOM 0 HD21 LEU A 7 2.265 10.120 -3.223 1.00 0.00 H new ATOM 0 HD22 LEU A 7 1.737 8.677 -4.121 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.739 10.269 -4.917 1.00 0.00 H new ATOM 106 N LYS A 8 0.495 9.758 -7.285 1.00 0.00 N ATOM 107 CA LYS A 8 1.677 9.942 -8.140 1.00 0.00 C ATOM 108 C LYS A 8 1.431 10.969 -9.265 1.00 0.00 C ATOM 109 O LYS A 8 2.297 11.797 -9.547 1.00 0.00 O ATOM 110 CB LYS A 8 2.107 8.565 -8.669 1.00 0.00 C ATOM 111 CG LYS A 8 3.518 8.611 -9.280 1.00 0.00 C ATOM 112 CD LYS A 8 3.965 7.227 -9.771 1.00 0.00 C ATOM 113 CE LYS A 8 5.372 7.319 -10.380 1.00 0.00 C ATOM 114 NZ LYS A 8 5.842 6.000 -10.886 1.00 0.00 N ATOM 0 H LYS A 8 0.127 8.807 -7.290 1.00 0.00 H new ATOM 0 HA LYS A 8 2.492 10.366 -7.553 1.00 0.00 H new ATOM 0 HB2 LYS A 8 2.085 7.839 -7.856 1.00 0.00 H new ATOM 0 HB3 LYS A 8 1.395 8.224 -9.421 1.00 0.00 H new ATOM 0 HG2 LYS A 8 3.532 9.315 -10.112 1.00 0.00 H new ATOM 0 HG3 LYS A 8 4.225 8.980 -8.537 1.00 0.00 H new ATOM 0 HD2 LYS A 8 3.963 6.519 -8.942 1.00 0.00 H new ATOM 0 HD3 LYS A 8 3.262 6.850 -10.513 1.00 0.00 H new ATOM 0 HE2 LYS A 8 5.368 8.041 -11.196 1.00 0.00 H new ATOM 0 HE3 LYS A 8 6.070 7.690 -9.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 6.795 6.103 -11.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 5.870 5.317 -10.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 5.190 5.658 -11.620 1.00 0.00 H new ATOM 128 N THR A 9 0.218 10.976 -9.843 1.00 0.00 N ATOM 129 CA THR A 9 -0.252 11.940 -10.843 1.00 0.00 C ATOM 130 C THR A 9 -0.350 13.353 -10.270 1.00 0.00 C ATOM 131 O THR A 9 0.067 14.293 -10.935 1.00 0.00 O ATOM 132 CB THR A 9 -1.583 11.451 -11.406 1.00 0.00 C ATOM 133 OG1 THR A 9 -1.382 10.222 -12.071 1.00 0.00 O ATOM 134 CG2 THR A 9 -2.196 12.413 -12.406 1.00 0.00 C ATOM 0 H THR A 9 -0.490 10.278 -9.614 1.00 0.00 H new ATOM 0 HA THR A 9 0.474 12.003 -11.654 1.00 0.00 H new ATOM 0 HB THR A 9 -2.263 11.357 -10.559 1.00 0.00 H new ATOM 0 HG1 THR A 9 -2.235 9.903 -12.433 1.00 0.00 H new ATOM 0 HG21 THR A 9 -3.140 12.008 -12.769 1.00 0.00 H new ATOM 0 HG22 THR A 9 -2.375 13.374 -11.924 1.00 0.00 H new ATOM 0 HG23 THR A 9 -1.514 12.550 -13.245 1.00 0.00 H new ATOM 142 N THR A 10 -0.837 13.511 -9.031 1.00 0.00 N ATOM 143 CA THR A 10 -0.905 14.811 -8.333 1.00 0.00 C ATOM 144 C THR A 10 0.493 15.374 -8.103 1.00 0.00 C ATOM 145 O THR A 10 0.751 16.529 -8.447 1.00 0.00 O ATOM 146 CB THR A 10 -1.680 14.685 -7.010 1.00 0.00 C ATOM 147 OG1 THR A 10 -2.977 14.207 -7.286 1.00 0.00 O ATOM 148 CG2 THR A 10 -1.831 16.029 -6.293 1.00 0.00 C ATOM 0 H THR A 10 -1.199 12.735 -8.477 1.00 0.00 H new ATOM 0 HA THR A 10 -1.447 15.511 -8.969 1.00 0.00 H new ATOM 0 HB THR A 10 -1.117 14.007 -6.368 1.00 0.00 H new ATOM 0 HG1 THR A 10 -2.934 13.254 -7.511 1.00 0.00 H new ATOM 0 HG21 THR A 10 -2.385 15.886 -5.365 1.00 0.00 H new ATOM 0 HG22 THR A 10 -0.844 16.434 -6.068 1.00 0.00 H new ATOM 0 HG23 THR A 10 -2.371 16.725 -6.935 1.00 0.00 H new ATOM 156 N LEU A 11 1.421 14.559 -7.585 1.00 0.00 N ATOM 157 CA LEU A 11 2.822 14.954 -7.392 1.00 0.00 C ATOM 158 C LEU A 11 3.477 15.372 -8.714 1.00 0.00 C ATOM 159 O LEU A 11 4.028 16.469 -8.788 1.00 0.00 O ATOM 160 CB LEU A 11 3.606 13.817 -6.710 1.00 0.00 C ATOM 161 CG LEU A 11 3.162 13.473 -5.274 1.00 0.00 C ATOM 162 CD1 LEU A 11 4.038 12.329 -4.745 1.00 0.00 C ATOM 163 CD2 LEU A 11 3.261 14.680 -4.335 1.00 0.00 C ATOM 0 H LEU A 11 1.220 13.604 -7.287 1.00 0.00 H new ATOM 0 HA LEU A 11 2.843 15.826 -6.738 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.519 12.920 -7.323 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.662 14.088 -6.690 1.00 0.00 H new ATOM 0 HG LEU A 11 2.115 13.172 -5.304 1.00 0.00 H new ATOM 0 HD11 LEU A 11 3.733 12.077 -3.729 1.00 0.00 H new ATOM 0 HD12 LEU A 11 3.922 11.455 -5.386 1.00 0.00 H new ATOM 0 HD13 LEU A 11 5.082 12.641 -4.743 1.00 0.00 H new ATOM 0 HD21 LEU A 11 2.938 14.390 -3.335 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.293 15.027 -4.297 1.00 0.00 H new ATOM 0 HD23 LEU A 11 2.622 15.482 -4.705 1.00 0.00 H new ATOM 175 N ASP A 12 3.352 14.569 -9.773 1.00 0.00 N ATOM 176 CA ASP A 12 3.862 14.899 -11.109 1.00 0.00 C ATOM 177 C ASP A 12 3.275 16.216 -11.652 1.00 0.00 C ATOM 178 O ASP A 12 4.028 17.075 -12.114 1.00 0.00 O ATOM 179 CB ASP A 12 3.579 13.732 -12.064 1.00 0.00 C ATOM 180 CG ASP A 12 4.155 13.995 -13.465 1.00 0.00 C ATOM 181 OD1 ASP A 12 5.393 13.891 -13.627 1.00 0.00 O ATOM 182 OD2 ASP A 12 3.368 14.293 -14.397 1.00 0.00 O ATOM 0 H ASP A 12 2.889 13.661 -9.728 1.00 0.00 H new ATOM 0 HA ASP A 12 4.938 15.053 -11.033 1.00 0.00 H new ATOM 0 HB2 ASP A 12 4.010 12.817 -11.659 1.00 0.00 H new ATOM 0 HB3 ASP A 12 2.503 13.573 -12.136 1.00 0.00 H new ATOM 187 N LYS A 13 1.959 16.431 -11.527 1.00 0.00 N ATOM 188 CA LYS A 13 1.303 17.693 -11.896 1.00 0.00 C ATOM 189 C LYS A 13 1.833 18.875 -11.068 1.00 0.00 C ATOM 190 O LYS A 13 2.177 19.904 -11.648 1.00 0.00 O ATOM 191 CB LYS A 13 -0.225 17.541 -11.776 1.00 0.00 C ATOM 192 CG LYS A 13 -0.814 16.749 -12.956 1.00 0.00 C ATOM 193 CD LYS A 13 -2.319 16.507 -12.762 1.00 0.00 C ATOM 194 CE LYS A 13 -2.943 15.704 -13.915 1.00 0.00 C ATOM 195 NZ LYS A 13 -3.043 16.489 -15.177 1.00 0.00 N ATOM 0 H LYS A 13 1.314 15.729 -11.164 1.00 0.00 H new ATOM 0 HA LYS A 13 1.544 17.919 -12.935 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -0.468 17.035 -10.841 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -0.686 18.528 -11.734 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -0.647 17.295 -13.884 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -0.298 15.794 -13.051 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -2.480 15.974 -11.825 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -2.829 17.466 -12.675 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -2.345 14.810 -14.095 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -3.938 15.368 -13.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -3.470 15.899 -15.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -3.636 17.329 -15.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -2.093 16.788 -15.476 1.00 0.00 H new ATOM 209 N VAL A 14 1.992 18.728 -9.750 1.00 0.00 N ATOM 210 CA VAL A 14 2.587 19.771 -8.886 1.00 0.00 C ATOM 211 C VAL A 14 4.049 20.056 -9.272 1.00 0.00 C ATOM 212 O VAL A 14 4.409 21.215 -9.467 1.00 0.00 O ATOM 213 CB VAL A 14 2.419 19.446 -7.386 1.00 0.00 C ATOM 214 CG1 VAL A 14 3.257 20.350 -6.463 1.00 0.00 C ATOM 215 CG2 VAL A 14 0.946 19.559 -6.964 1.00 0.00 C ATOM 0 H VAL A 14 1.715 17.886 -9.245 1.00 0.00 H new ATOM 0 HA VAL A 14 2.032 20.693 -9.059 1.00 0.00 H new ATOM 0 HB VAL A 14 2.778 18.423 -7.272 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.089 20.065 -5.424 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.314 20.237 -6.704 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.962 21.389 -6.606 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.852 19.326 -5.903 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.593 20.574 -7.145 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.346 18.858 -7.544 1.00 0.00 H new ATOM 225 N VAL A 15 4.871 19.016 -9.465 1.00 0.00 N ATOM 226 CA VAL A 15 6.286 19.135 -9.875 1.00 0.00 C ATOM 227 C VAL A 15 6.437 19.836 -11.229 1.00 0.00 C ATOM 228 O VAL A 15 7.282 20.715 -11.361 1.00 0.00 O ATOM 229 CB VAL A 15 6.982 17.759 -9.864 1.00 0.00 C ATOM 230 CG1 VAL A 15 8.330 17.722 -10.610 1.00 0.00 C ATOM 231 CG2 VAL A 15 7.216 17.286 -8.418 1.00 0.00 C ATOM 0 H VAL A 15 4.571 18.049 -9.340 1.00 0.00 H new ATOM 0 HA VAL A 15 6.786 19.767 -9.140 1.00 0.00 H new ATOM 0 HB VAL A 15 6.300 17.094 -10.395 1.00 0.00 H new ATOM 0 HG11 VAL A 15 8.750 16.718 -10.553 1.00 0.00 H new ATOM 0 HG12 VAL A 15 8.175 17.991 -11.655 1.00 0.00 H new ATOM 0 HG13 VAL A 15 9.019 18.431 -10.151 1.00 0.00 H new ATOM 0 HG21 VAL A 15 7.708 16.313 -8.428 1.00 0.00 H new ATOM 0 HG22 VAL A 15 7.847 18.006 -7.897 1.00 0.00 H new ATOM 0 HG23 VAL A 15 6.259 17.203 -7.903 1.00 0.00 H new ATOM 241 N THR A 16 5.609 19.496 -12.223 1.00 0.00 N ATOM 242 CA THR A 16 5.675 20.083 -13.578 1.00 0.00 C ATOM 243 C THR A 16 5.050 21.476 -13.669 1.00 0.00 C ATOM 244 O THR A 16 5.509 22.287 -14.471 1.00 0.00 O ATOM 245 CB THR A 16 5.076 19.143 -14.633 1.00 0.00 C ATOM 246 OG1 THR A 16 3.783 18.731 -14.264 1.00 0.00 O ATOM 247 CG2 THR A 16 5.945 17.894 -14.814 1.00 0.00 C ATOM 0 H THR A 16 4.868 18.803 -12.116 1.00 0.00 H new ATOM 0 HA THR A 16 6.737 20.207 -13.792 1.00 0.00 H new ATOM 0 HB THR A 16 5.033 19.701 -15.569 1.00 0.00 H new ATOM 0 HG1 THR A 16 3.844 18.058 -13.554 1.00 0.00 H new ATOM 0 HG21 THR A 16 5.497 17.245 -15.567 1.00 0.00 H new ATOM 0 HG22 THR A 16 6.944 18.189 -15.136 1.00 0.00 H new ATOM 0 HG23 THR A 16 6.013 17.358 -13.867 1.00 0.00 H new ATOM 255 N SER A 17 4.054 21.788 -12.837 1.00 0.00 N ATOM 256 CA SER A 17 3.394 23.107 -12.836 1.00 0.00 C ATOM 257 C SER A 17 4.199 24.184 -12.083 1.00 0.00 C ATOM 258 O SER A 17 4.247 25.335 -12.522 1.00 0.00 O ATOM 259 CB SER A 17 1.985 23.016 -12.220 1.00 0.00 C ATOM 260 OG SER A 17 1.165 22.081 -12.905 1.00 0.00 O ATOM 0 H SER A 17 3.679 21.140 -12.145 1.00 0.00 H new ATOM 0 HA SER A 17 3.329 23.407 -13.882 1.00 0.00 H new ATOM 0 HB2 SER A 17 2.065 22.728 -11.172 1.00 0.00 H new ATOM 0 HB3 SER A 17 1.514 23.999 -12.246 1.00 0.00 H new ATOM 0 HG SER A 17 1.405 21.172 -12.629 1.00 0.00 H new ATOM 266 N HIS A 18 4.830 23.836 -10.951 1.00 0.00 N ATOM 267 CA HIS A 18 5.481 24.809 -10.055 1.00 0.00 C ATOM 268 C HIS A 18 7.015 24.671 -9.963 1.00 0.00 C ATOM 269 O HIS A 18 7.672 25.531 -9.375 1.00 0.00 O ATOM 270 CB HIS A 18 4.843 24.667 -8.660 1.00 0.00 C ATOM 271 CG HIS A 18 3.345 24.847 -8.669 1.00 0.00 C ATOM 272 ND1 HIS A 18 2.663 26.028 -8.860 1.00 0.00 N ATOM 273 CD2 HIS A 18 2.403 23.859 -8.540 1.00 0.00 C ATOM 274 CE1 HIS A 18 1.345 25.755 -8.846 1.00 0.00 C ATOM 275 NE2 HIS A 18 1.134 24.438 -8.656 1.00 0.00 N ATOM 0 H HIS A 18 4.904 22.871 -10.629 1.00 0.00 H new ATOM 0 HA HIS A 18 5.318 25.801 -10.476 1.00 0.00 H new ATOM 0 HB2 HIS A 18 5.081 23.683 -8.257 1.00 0.00 H new ATOM 0 HB3 HIS A 18 5.287 25.402 -7.988 1.00 0.00 H new ATOM 0 HD2 HIS A 18 2.606 22.811 -8.376 1.00 0.00 H new ATOM 0 HE1 HIS A 18 0.564 26.491 -8.970 1.00 0.00 H new ATOM 0 HE2 HIS A 18 0.234 23.961 -8.607 1.00 0.00 H new ATOM 283 N LYS A 19 7.601 23.588 -10.492 1.00 0.00 N ATOM 284 CA LYS A 19 9.031 23.223 -10.466 1.00 0.00 C ATOM 285 C LYS A 19 9.620 23.023 -9.061 1.00 0.00 C ATOM 286 O LYS A 19 10.104 21.932 -8.774 1.00 0.00 O ATOM 287 CB LYS A 19 9.866 24.172 -11.353 1.00 0.00 C ATOM 288 CG LYS A 19 9.577 23.901 -12.842 1.00 0.00 C ATOM 289 CD LYS A 19 10.536 24.665 -13.763 1.00 0.00 C ATOM 290 CE LYS A 19 10.409 24.130 -15.198 1.00 0.00 C ATOM 291 NZ LYS A 19 11.426 24.723 -16.106 1.00 0.00 N ATOM 0 H LYS A 19 7.049 22.889 -10.988 1.00 0.00 H new ATOM 0 HA LYS A 19 9.092 22.227 -10.905 1.00 0.00 H new ATOM 0 HB2 LYS A 19 9.630 25.208 -11.112 1.00 0.00 H new ATOM 0 HB3 LYS A 19 10.928 24.031 -11.150 1.00 0.00 H new ATOM 0 HG2 LYS A 19 9.660 22.832 -13.039 1.00 0.00 H new ATOM 0 HG3 LYS A 19 8.550 24.188 -13.070 1.00 0.00 H new ATOM 0 HD2 LYS A 19 10.307 25.730 -13.740 1.00 0.00 H new ATOM 0 HD3 LYS A 19 11.561 24.552 -13.411 1.00 0.00 H new ATOM 0 HE2 LYS A 19 10.517 23.045 -15.191 1.00 0.00 H new ATOM 0 HE3 LYS A 19 9.411 24.348 -15.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 11.600 24.076 -16.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 11.078 25.633 -16.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 12.312 24.874 -15.583 1.00 0.00 H new ATOM 305 N VAL A 20 9.582 24.026 -8.187 1.00 0.00 N ATOM 306 CA VAL A 20 10.049 23.960 -6.789 1.00 0.00 C ATOM 307 C VAL A 20 8.892 23.482 -5.901 1.00 0.00 C ATOM 308 O VAL A 20 7.816 24.077 -5.934 1.00 0.00 O ATOM 309 CB VAL A 20 10.561 25.337 -6.307 1.00 0.00 C ATOM 310 CG1 VAL A 20 11.114 25.277 -4.878 1.00 0.00 C ATOM 311 CG2 VAL A 20 11.663 25.916 -7.213 1.00 0.00 C ATOM 0 H VAL A 20 9.213 24.944 -8.434 1.00 0.00 H new ATOM 0 HA VAL A 20 10.881 23.258 -6.725 1.00 0.00 H new ATOM 0 HB VAL A 20 9.687 25.987 -6.344 1.00 0.00 H new ATOM 0 HG11 VAL A 20 11.462 26.266 -4.581 1.00 0.00 H new ATOM 0 HG12 VAL A 20 10.328 24.949 -4.197 1.00 0.00 H new ATOM 0 HG13 VAL A 20 11.945 24.573 -4.839 1.00 0.00 H new ATOM 0 HG21 VAL A 20 11.983 26.883 -6.825 1.00 0.00 H new ATOM 0 HG22 VAL A 20 12.513 25.234 -7.233 1.00 0.00 H new ATOM 0 HG23 VAL A 20 11.275 26.041 -8.224 1.00 0.00 H new ATOM 321 N VAL A 21 9.104 22.419 -5.119 1.00 0.00 N ATOM 322 CA VAL A 21 8.057 21.766 -4.314 1.00 0.00 C ATOM 323 C VAL A 21 8.571 21.453 -2.906 1.00 0.00 C ATOM 324 O VAL A 21 9.617 20.828 -2.748 1.00 0.00 O ATOM 325 CB VAL A 21 7.554 20.462 -4.983 1.00 0.00 C ATOM 326 CG1 VAL A 21 6.345 19.885 -4.226 1.00 0.00 C ATOM 327 CG2 VAL A 21 7.152 20.693 -6.452 1.00 0.00 C ATOM 0 H VAL A 21 10.019 21.979 -5.023 1.00 0.00 H new ATOM 0 HA VAL A 21 7.222 22.463 -4.246 1.00 0.00 H new ATOM 0 HB VAL A 21 8.383 19.755 -4.949 1.00 0.00 H new ATOM 0 HG11 VAL A 21 6.012 18.970 -4.716 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.632 19.662 -3.198 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.534 20.613 -4.227 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.805 19.755 -6.886 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.352 21.432 -6.498 1.00 0.00 H new ATOM 0 HG23 VAL A 21 8.014 21.055 -7.012 1.00 0.00 H new ATOM 337 N LEU A 22 7.823 21.879 -1.884 1.00 0.00 N ATOM 338 CA LEU A 22 8.073 21.572 -0.473 1.00 0.00 C ATOM 339 C LEU A 22 7.114 20.478 0.012 1.00 0.00 C ATOM 340 O LEU A 22 5.929 20.485 -0.332 1.00 0.00 O ATOM 341 CB LEU A 22 7.910 22.847 0.382 1.00 0.00 C ATOM 342 CG LEU A 22 9.072 23.863 0.378 1.00 0.00 C ATOM 343 CD1 LEU A 22 10.350 23.271 0.986 1.00 0.00 C ATOM 344 CD2 LEU A 22 9.368 24.454 -1.010 1.00 0.00 C ATOM 0 H LEU A 22 7.000 22.466 -2.021 1.00 0.00 H new ATOM 0 HA LEU A 22 9.095 21.207 -0.368 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.011 23.364 0.047 1.00 0.00 H new ATOM 0 HB3 LEU A 22 7.736 22.540 1.413 1.00 0.00 H new ATOM 0 HG LEU A 22 8.732 24.686 1.007 1.00 0.00 H new ATOM 0 HD11 LEU A 22 11.143 24.018 0.964 1.00 0.00 H new ATOM 0 HD12 LEU A 22 10.159 22.975 2.017 1.00 0.00 H new ATOM 0 HD13 LEU A 22 10.657 22.399 0.409 1.00 0.00 H new ATOM 0 HD21 LEU A 22 10.196 25.159 -0.936 1.00 0.00 H new ATOM 0 HD22 LEU A 22 9.635 23.652 -1.698 1.00 0.00 H new ATOM 0 HD23 LEU A 22 8.483 24.971 -1.382 1.00 0.00 H new ATOM 356 N PHE A 23 7.618 19.581 0.859 1.00 0.00 N ATOM 357 CA PHE A 23 6.854 18.548 1.556 1.00 0.00 C ATOM 358 C PHE A 23 6.914 18.795 3.067 1.00 0.00 C ATOM 359 O PHE A 23 7.998 18.780 3.653 1.00 0.00 O ATOM 360 CB PHE A 23 7.422 17.165 1.187 1.00 0.00 C ATOM 361 CG PHE A 23 7.331 16.832 -0.290 1.00 0.00 C ATOM 362 CD1 PHE A 23 6.072 16.823 -0.913 1.00 0.00 C ATOM 363 CD2 PHE A 23 8.485 16.556 -1.046 1.00 0.00 C ATOM 364 CE1 PHE A 23 5.966 16.607 -2.298 1.00 0.00 C ATOM 365 CE2 PHE A 23 8.375 16.284 -2.423 1.00 0.00 C ATOM 366 CZ PHE A 23 7.119 16.340 -3.055 1.00 0.00 C ATOM 0 H PHE A 23 8.612 19.554 1.087 1.00 0.00 H new ATOM 0 HA PHE A 23 5.808 18.582 1.253 1.00 0.00 H new ATOM 0 HB2 PHE A 23 8.467 17.119 1.495 1.00 0.00 H new ATOM 0 HB3 PHE A 23 6.889 16.402 1.754 1.00 0.00 H new ATOM 0 HD1 PHE A 23 5.181 16.983 -0.325 1.00 0.00 H new ATOM 0 HD2 PHE A 23 9.455 16.553 -0.570 1.00 0.00 H new ATOM 0 HE1 PHE A 23 5.000 16.646 -2.779 1.00 0.00 H new ATOM 0 HE2 PHE A 23 9.256 16.032 -2.995 1.00 0.00 H new ATOM 0 HZ PHE A 23 7.042 16.178 -4.120 1.00 0.00 H new ATOM 376 N MET A 24 5.746 19.012 3.686 1.00 0.00 N ATOM 377 CA MET A 24 5.547 19.289 5.125 1.00 0.00 C ATOM 378 C MET A 24 4.045 19.334 5.450 1.00 0.00 C ATOM 379 O MET A 24 3.238 18.961 4.606 1.00 0.00 O ATOM 380 CB MET A 24 6.315 20.561 5.561 1.00 0.00 C ATOM 381 CG MET A 24 6.007 21.816 4.738 1.00 0.00 C ATOM 382 SD MET A 24 6.955 23.237 5.328 1.00 0.00 S ATOM 383 CE MET A 24 6.191 24.510 4.310 1.00 0.00 C ATOM 0 H MET A 24 4.864 19.000 3.174 1.00 0.00 H new ATOM 0 HA MET A 24 5.972 18.476 5.714 1.00 0.00 H new ATOM 0 HB2 MET A 24 6.086 20.765 6.607 1.00 0.00 H new ATOM 0 HB3 MET A 24 7.385 20.360 5.502 1.00 0.00 H new ATOM 0 HG2 MET A 24 6.239 21.632 3.689 1.00 0.00 H new ATOM 0 HG3 MET A 24 4.941 22.038 4.795 1.00 0.00 H new ATOM 0 HE1 MET A 24 6.647 25.475 4.531 1.00 0.00 H new ATOM 0 HE2 MET A 24 6.339 24.271 3.257 1.00 0.00 H new ATOM 0 HE3 MET A 24 5.123 24.556 4.525 1.00 0.00 H new ATOM 393 N LYS A 25 3.642 19.784 6.644 1.00 0.00 N ATOM 394 CA LYS A 25 2.225 20.042 6.982 1.00 0.00 C ATOM 395 C LYS A 25 1.755 21.492 6.709 1.00 0.00 C ATOM 396 O LYS A 25 0.553 21.747 6.619 1.00 0.00 O ATOM 397 CB LYS A 25 1.968 19.606 8.439 1.00 0.00 C ATOM 398 CG LYS A 25 2.754 20.394 9.502 1.00 0.00 C ATOM 399 CD LYS A 25 2.396 19.914 10.914 1.00 0.00 C ATOM 400 CE LYS A 25 3.272 20.633 11.951 1.00 0.00 C ATOM 401 NZ LYS A 25 2.937 20.214 13.340 1.00 0.00 N ATOM 0 H LYS A 25 4.286 19.982 7.410 1.00 0.00 H new ATOM 0 HA LYS A 25 1.615 19.442 6.307 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.903 19.704 8.649 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.216 18.549 8.535 1.00 0.00 H new ATOM 0 HG2 LYS A 25 3.824 20.273 9.333 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.534 21.458 9.408 1.00 0.00 H new ATOM 0 HD2 LYS A 25 1.343 20.109 11.117 1.00 0.00 H new ATOM 0 HD3 LYS A 25 2.541 18.836 10.988 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.322 20.421 11.750 1.00 0.00 H new ATOM 0 HE3 LYS A 25 3.140 21.711 11.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 3.548 20.720 14.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 1.942 20.439 13.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 3.087 19.190 13.439 1.00 0.00 H new ATOM 415 N GLY A 26 2.693 22.444 6.573 1.00 0.00 N ATOM 416 CA GLY A 26 2.423 23.874 6.322 1.00 0.00 C ATOM 417 C GLY A 26 2.231 24.199 4.837 1.00 0.00 C ATOM 418 O GLY A 26 2.744 23.483 3.973 1.00 0.00 O ATOM 0 H GLY A 26 3.690 22.236 6.636 1.00 0.00 H new ATOM 0 HA2 GLY A 26 1.529 24.170 6.871 1.00 0.00 H new ATOM 0 HA3 GLY A 26 3.249 24.468 6.714 1.00 0.00 H new ATOM 422 N THR A 27 1.522 25.294 4.543 1.00 0.00 N ATOM 423 CA THR A 27 1.243 25.783 3.178 1.00 0.00 C ATOM 424 C THR A 27 2.367 26.688 2.667 1.00 0.00 C ATOM 425 O THR A 27 3.315 27.000 3.388 1.00 0.00 O ATOM 426 CB THR A 27 -0.116 26.504 3.131 1.00 0.00 C ATOM 427 OG1 THR A 27 -0.048 27.651 3.945 1.00 0.00 O ATOM 428 CG2 THR A 27 -1.264 25.622 3.623 1.00 0.00 C ATOM 0 H THR A 27 1.112 25.886 5.266 1.00 0.00 H new ATOM 0 HA THR A 27 1.195 24.920 2.514 1.00 0.00 H new ATOM 0 HB THR A 27 -0.318 26.762 2.091 1.00 0.00 H new ATOM 0 HG1 THR A 27 -0.908 28.120 3.922 1.00 0.00 H new ATOM 0 HG21 THR A 27 -2.199 26.179 3.569 1.00 0.00 H new ATOM 0 HG22 THR A 27 -1.334 24.733 2.996 1.00 0.00 H new ATOM 0 HG23 THR A 27 -1.078 25.325 4.655 1.00 0.00 H new ATOM 436 N LYS A 28 2.251 27.148 1.416 1.00 0.00 N ATOM 437 CA LYS A 28 3.177 28.138 0.839 1.00 0.00 C ATOM 438 C LYS A 28 3.118 29.515 1.540 1.00 0.00 C ATOM 439 O LYS A 28 4.115 30.238 1.580 1.00 0.00 O ATOM 440 CB LYS A 28 2.907 28.238 -0.677 1.00 0.00 C ATOM 441 CG LYS A 28 1.636 29.040 -1.030 1.00 0.00 C ATOM 442 CD LYS A 28 1.139 28.814 -2.465 1.00 0.00 C ATOM 443 CE LYS A 28 2.227 29.030 -3.529 1.00 0.00 C ATOM 444 NZ LYS A 28 1.737 28.649 -4.880 1.00 0.00 N ATOM 0 H LYS A 28 1.517 26.848 0.775 1.00 0.00 H new ATOM 0 HA LYS A 28 4.198 27.794 1.006 1.00 0.00 H new ATOM 0 HB2 LYS A 28 3.766 28.704 -1.160 1.00 0.00 H new ATOM 0 HB3 LYS A 28 2.817 27.232 -1.088 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.842 28.770 -0.334 1.00 0.00 H new ATOM 0 HG3 LYS A 28 1.837 30.102 -0.888 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.753 27.798 -2.552 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.307 29.490 -2.664 1.00 0.00 H new ATOM 0 HE2 LYS A 28 2.535 30.076 -3.532 1.00 0.00 H new ATOM 0 HE3 LYS A 28 3.108 28.439 -3.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 2.506 28.756 -5.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 1.418 27.659 -4.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.943 29.265 -5.148 1.00 0.00 H new ATOM 458 N ASP A 29 1.956 29.866 2.101 1.00 0.00 N ATOM 459 CA ASP A 29 1.718 31.116 2.836 1.00 0.00 C ATOM 460 C ASP A 29 2.069 30.996 4.331 1.00 0.00 C ATOM 461 O ASP A 29 2.546 31.963 4.927 1.00 0.00 O ATOM 462 CB ASP A 29 0.240 31.497 2.659 1.00 0.00 C ATOM 463 CG ASP A 29 -0.092 32.847 3.314 1.00 0.00 C ATOM 464 OD1 ASP A 29 0.341 33.895 2.777 1.00 0.00 O ATOM 465 OD2 ASP A 29 -0.807 32.858 4.346 1.00 0.00 O ATOM 0 H ASP A 29 1.129 29.271 2.056 1.00 0.00 H new ATOM 0 HA ASP A 29 2.369 31.891 2.432 1.00 0.00 H new ATOM 0 HB2 ASP A 29 0.003 31.542 1.596 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -0.389 30.720 3.093 1.00 0.00 H new ATOM 470 N PHE A 30 1.867 29.807 4.923 1.00 0.00 N ATOM 471 CA PHE A 30 2.156 29.505 6.324 1.00 0.00 C ATOM 472 C PHE A 30 3.178 28.353 6.446 1.00 0.00 C ATOM 473 O PHE A 30 2.781 27.192 6.618 1.00 0.00 O ATOM 474 CB PHE A 30 0.840 29.210 7.065 1.00 0.00 C ATOM 475 CG PHE A 30 1.022 28.958 8.553 1.00 0.00 C ATOM 476 CD1 PHE A 30 1.371 30.022 9.411 1.00 0.00 C ATOM 477 CD2 PHE A 30 0.864 27.662 9.084 1.00 0.00 C ATOM 478 CE1 PHE A 30 1.567 29.790 10.784 1.00 0.00 C ATOM 479 CE2 PHE A 30 1.067 27.429 10.455 1.00 0.00 C ATOM 480 CZ PHE A 30 1.416 28.493 11.307 1.00 0.00 C ATOM 0 H PHE A 30 1.485 29.007 4.418 1.00 0.00 H new ATOM 0 HA PHE A 30 2.620 30.371 6.795 1.00 0.00 H new ATOM 0 HB2 PHE A 30 0.160 30.050 6.928 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.366 28.339 6.613 1.00 0.00 H new ATOM 0 HD1 PHE A 30 1.488 31.019 9.012 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.586 26.845 8.435 1.00 0.00 H new ATOM 0 HE1 PHE A 30 1.834 30.608 11.437 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.955 26.432 10.855 1.00 0.00 H new ATOM 0 HZ PHE A 30 1.568 28.314 12.361 1.00 0.00 H new ATOM 490 N PRO A 31 4.493 28.648 6.374 1.00 0.00 N ATOM 491 CA PRO A 31 5.533 27.678 6.697 1.00 0.00 C ATOM 492 C PRO A 31 5.465 27.358 8.198 1.00 0.00 C ATOM 493 O PRO A 31 5.237 28.239 9.030 1.00 0.00 O ATOM 494 CB PRO A 31 6.858 28.323 6.286 1.00 0.00 C ATOM 495 CG PRO A 31 6.568 29.820 6.385 1.00 0.00 C ATOM 496 CD PRO A 31 5.090 29.928 6.013 1.00 0.00 C ATOM 0 HA PRO A 31 5.416 26.730 6.172 1.00 0.00 H new ATOM 0 HB2 PRO A 31 7.672 28.027 6.948 1.00 0.00 H new ATOM 0 HB3 PRO A 31 7.148 28.036 5.275 1.00 0.00 H new ATOM 0 HG2 PRO A 31 6.757 30.199 7.389 1.00 0.00 H new ATOM 0 HG3 PRO A 31 7.195 30.395 5.704 1.00 0.00 H new ATOM 0 HD2 PRO A 31 4.611 30.747 6.549 1.00 0.00 H new ATOM 0 HD3 PRO A 31 4.969 30.129 4.949 1.00 0.00 H new ATOM 504 N GLN A 32 5.639 26.079 8.544 1.00 0.00 N ATOM 505 CA GLN A 32 5.386 25.566 9.901 1.00 0.00 C ATOM 506 C GLN A 32 6.580 25.685 10.875 1.00 0.00 C ATOM 507 O GLN A 32 6.451 25.295 12.041 1.00 0.00 O ATOM 508 CB GLN A 32 4.810 24.133 9.810 1.00 0.00 C ATOM 509 CG GLN A 32 5.569 23.130 8.919 1.00 0.00 C ATOM 510 CD GLN A 32 7.026 22.921 9.319 1.00 0.00 C ATOM 511 OE1 GLN A 32 7.920 23.557 8.788 1.00 0.00 O ATOM 512 NE2 GLN A 32 7.334 22.053 10.259 1.00 0.00 N ATOM 0 H GLN A 32 5.960 25.365 7.891 1.00 0.00 H new ATOM 0 HA GLN A 32 4.641 26.218 10.357 1.00 0.00 H new ATOM 0 HB2 GLN A 32 4.763 23.722 10.818 1.00 0.00 H new ATOM 0 HB3 GLN A 32 3.785 24.202 9.445 1.00 0.00 H new ATOM 0 HG2 GLN A 32 5.053 22.170 8.950 1.00 0.00 H new ATOM 0 HG3 GLN A 32 5.533 23.478 7.887 1.00 0.00 H new ATOM 0 HE21 GLN A 32 6.599 21.512 10.714 1.00 0.00 H new ATOM 0 HE22 GLN A 32 8.308 21.921 10.532 1.00 0.00 H new ATOM 521 N CYS A 33 7.730 26.222 10.437 1.00 0.00 N ATOM 522 CA CYS A 33 8.970 26.319 11.219 1.00 0.00 C ATOM 523 C CYS A 33 9.922 27.387 10.644 1.00 0.00 C ATOM 524 O CYS A 33 9.803 27.792 9.486 1.00 0.00 O ATOM 525 CB CYS A 33 9.605 24.913 11.271 1.00 0.00 C ATOM 526 SG CYS A 33 10.974 24.830 12.466 1.00 0.00 S ATOM 0 H CYS A 33 7.824 26.612 9.499 1.00 0.00 H new ATOM 0 HA CYS A 33 8.755 26.650 12.235 1.00 0.00 H new ATOM 0 HB2 CYS A 33 8.844 24.181 11.540 1.00 0.00 H new ATOM 0 HB3 CYS A 33 9.971 24.643 10.280 1.00 0.00 H new ATOM 0 HG CYS A 33 11.471 23.629 12.473 1.00 0.00 H new ATOM 532 N GLY A 34 10.913 27.815 11.433 1.00 0.00 N ATOM 533 CA GLY A 34 11.929 28.794 11.020 1.00 0.00 C ATOM 534 C GLY A 34 12.811 28.295 9.872 1.00 0.00 C ATOM 535 O GLY A 34 13.193 29.089 9.014 1.00 0.00 O ATOM 0 H GLY A 34 11.035 27.487 12.391 1.00 0.00 H new ATOM 0 HA2 GLY A 34 11.434 29.716 10.716 1.00 0.00 H new ATOM 0 HA3 GLY A 34 12.559 29.038 11.875 1.00 0.00 H new ATOM 539 N PHE A 35 13.082 26.987 9.802 1.00 0.00 N ATOM 540 CA PHE A 35 13.883 26.378 8.732 1.00 0.00 C ATOM 541 C PHE A 35 13.123 26.308 7.402 1.00 0.00 C ATOM 542 O PHE A 35 13.653 26.722 6.372 1.00 0.00 O ATOM 543 CB PHE A 35 14.356 24.987 9.189 1.00 0.00 C ATOM 544 CG PHE A 35 15.323 25.018 10.359 1.00 0.00 C ATOM 545 CD1 PHE A 35 16.656 25.422 10.155 1.00 0.00 C ATOM 546 CD2 PHE A 35 14.898 24.643 11.649 1.00 0.00 C ATOM 547 CE1 PHE A 35 17.557 25.456 11.234 1.00 0.00 C ATOM 548 CE2 PHE A 35 15.799 24.679 12.728 1.00 0.00 C ATOM 549 CZ PHE A 35 17.129 25.086 12.522 1.00 0.00 C ATOM 0 H PHE A 35 12.749 26.314 10.493 1.00 0.00 H new ATOM 0 HA PHE A 35 14.751 27.011 8.545 1.00 0.00 H new ATOM 0 HB2 PHE A 35 13.486 24.391 9.465 1.00 0.00 H new ATOM 0 HB3 PHE A 35 14.834 24.483 8.349 1.00 0.00 H new ATOM 0 HD1 PHE A 35 16.987 25.707 9.167 1.00 0.00 H new ATOM 0 HD2 PHE A 35 13.878 24.327 11.809 1.00 0.00 H new ATOM 0 HE1 PHE A 35 18.579 25.767 11.074 1.00 0.00 H new ATOM 0 HE2 PHE A 35 15.469 24.394 13.716 1.00 0.00 H new ATOM 0 HZ PHE A 35 17.821 25.115 13.351 1.00 0.00 H new ATOM 559 N SER A 36 11.862 25.862 7.410 1.00 0.00 N ATOM 560 CA SER A 36 10.994 25.872 6.220 1.00 0.00 C ATOM 561 C SER A 36 10.756 27.305 5.728 1.00 0.00 C ATOM 562 O SER A 36 10.984 27.589 4.549 1.00 0.00 O ATOM 563 CB SER A 36 9.682 25.133 6.504 1.00 0.00 C ATOM 564 OG SER A 36 9.083 25.583 7.702 1.00 0.00 O ATOM 0 H SER A 36 11.411 25.482 8.242 1.00 0.00 H new ATOM 0 HA SER A 36 11.499 25.339 5.415 1.00 0.00 H new ATOM 0 HB2 SER A 36 8.992 25.281 5.673 1.00 0.00 H new ATOM 0 HB3 SER A 36 9.874 24.062 6.572 1.00 0.00 H new ATOM 0 HG SER A 36 8.840 24.812 8.256 1.00 0.00 H new ATOM 570 N GLN A 37 10.449 28.235 6.646 1.00 0.00 N ATOM 571 CA GLN A 37 10.332 29.669 6.357 1.00 0.00 C ATOM 572 C GLN A 37 11.608 30.210 5.692 1.00 0.00 C ATOM 573 O GLN A 37 11.517 30.870 4.655 1.00 0.00 O ATOM 574 CB GLN A 37 10.004 30.426 7.657 1.00 0.00 C ATOM 575 CG GLN A 37 9.745 31.925 7.422 1.00 0.00 C ATOM 576 CD GLN A 37 9.325 32.633 8.710 1.00 0.00 C ATOM 577 OE1 GLN A 37 8.152 32.892 8.953 1.00 0.00 O ATOM 578 NE2 GLN A 37 10.251 32.966 9.591 1.00 0.00 N ATOM 0 H GLN A 37 10.273 28.006 7.624 1.00 0.00 H new ATOM 0 HA GLN A 37 9.520 29.825 5.647 1.00 0.00 H new ATOM 0 HB2 GLN A 37 9.126 29.978 8.122 1.00 0.00 H new ATOM 0 HB3 GLN A 37 10.830 30.310 8.359 1.00 0.00 H new ATOM 0 HG2 GLN A 37 10.647 32.393 7.027 1.00 0.00 H new ATOM 0 HG3 GLN A 37 8.966 32.046 6.669 1.00 0.00 H new ATOM 0 HE21 GLN A 37 11.232 32.757 9.404 1.00 0.00 H new ATOM 0 HE22 GLN A 37 9.985 33.432 10.459 1.00 0.00 H new ATOM 587 N THR A 38 12.788 29.870 6.237 1.00 0.00 N ATOM 588 CA THR A 38 14.092 30.243 5.675 1.00 0.00 C ATOM 589 C THR A 38 14.247 29.697 4.263 1.00 0.00 C ATOM 590 O THR A 38 14.533 30.480 3.362 1.00 0.00 O ATOM 591 CB THR A 38 15.253 29.809 6.587 1.00 0.00 C ATOM 592 OG1 THR A 38 15.156 30.519 7.800 1.00 0.00 O ATOM 593 CG2 THR A 38 16.624 30.122 5.985 1.00 0.00 C ATOM 0 H THR A 38 12.861 29.320 7.093 1.00 0.00 H new ATOM 0 HA THR A 38 14.131 31.331 5.617 1.00 0.00 H new ATOM 0 HB THR A 38 15.174 28.730 6.723 1.00 0.00 H new ATOM 0 HG1 THR A 38 14.523 30.065 8.395 1.00 0.00 H new ATOM 0 HG21 THR A 38 17.406 29.795 6.671 1.00 0.00 H new ATOM 0 HG22 THR A 38 16.732 29.599 5.035 1.00 0.00 H new ATOM 0 HG23 THR A 38 16.712 31.196 5.820 1.00 0.00 H new ATOM 601 N VAL A 39 14.020 28.399 4.026 1.00 0.00 N ATOM 602 CA VAL A 39 14.221 27.851 2.669 1.00 0.00 C ATOM 603 C VAL A 39 13.202 28.385 1.654 1.00 0.00 C ATOM 604 O VAL A 39 13.616 28.683 0.538 1.00 0.00 O ATOM 605 CB VAL A 39 14.347 26.320 2.574 1.00 0.00 C ATOM 606 CG1 VAL A 39 15.584 25.851 3.349 1.00 0.00 C ATOM 607 CG2 VAL A 39 13.113 25.546 3.032 1.00 0.00 C ATOM 0 H VAL A 39 13.708 27.725 4.725 1.00 0.00 H new ATOM 0 HA VAL A 39 15.207 28.230 2.401 1.00 0.00 H new ATOM 0 HB VAL A 39 14.449 26.097 1.512 1.00 0.00 H new ATOM 0 HG11 VAL A 39 15.668 24.767 3.278 1.00 0.00 H new ATOM 0 HG12 VAL A 39 16.476 26.313 2.925 1.00 0.00 H new ATOM 0 HG13 VAL A 39 15.489 26.140 4.396 1.00 0.00 H new ATOM 0 HG21 VAL A 39 13.295 24.476 2.929 1.00 0.00 H new ATOM 0 HG22 VAL A 39 12.904 25.779 4.076 1.00 0.00 H new ATOM 0 HG23 VAL A 39 12.258 25.829 2.419 1.00 0.00 H new ATOM 617 N VAL A 40 11.922 28.585 2.009 1.00 0.00 N ATOM 618 CA VAL A 40 10.962 29.178 1.060 1.00 0.00 C ATOM 619 C VAL A 40 11.282 30.651 0.766 1.00 0.00 C ATOM 620 O VAL A 40 11.123 31.080 -0.376 1.00 0.00 O ATOM 621 CB VAL A 40 9.482 28.994 1.460 1.00 0.00 C ATOM 622 CG1 VAL A 40 9.106 27.508 1.567 1.00 0.00 C ATOM 623 CG2 VAL A 40 9.031 29.751 2.717 1.00 0.00 C ATOM 0 H VAL A 40 11.534 28.352 2.923 1.00 0.00 H new ATOM 0 HA VAL A 40 11.090 28.611 0.138 1.00 0.00 H new ATOM 0 HB VAL A 40 8.934 29.457 0.639 1.00 0.00 H new ATOM 0 HG11 VAL A 40 8.057 27.418 1.850 1.00 0.00 H new ATOM 0 HG12 VAL A 40 9.265 27.022 0.604 1.00 0.00 H new ATOM 0 HG13 VAL A 40 9.729 27.029 2.322 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.976 29.550 2.904 1.00 0.00 H new ATOM 0 HG22 VAL A 40 9.621 29.420 3.572 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.175 30.821 2.569 1.00 0.00 H new ATOM 633 N GLN A 41 11.797 31.406 1.749 1.00 0.00 N ATOM 634 CA GLN A 41 12.312 32.761 1.529 1.00 0.00 C ATOM 635 C GLN A 41 13.549 32.745 0.614 1.00 0.00 C ATOM 636 O GLN A 41 13.605 33.537 -0.326 1.00 0.00 O ATOM 637 CB GLN A 41 12.605 33.420 2.893 1.00 0.00 C ATOM 638 CG GLN A 41 13.062 34.886 2.765 1.00 0.00 C ATOM 639 CD GLN A 41 13.289 35.584 4.114 1.00 0.00 C ATOM 640 OE1 GLN A 41 13.086 35.041 5.195 1.00 0.00 O ATOM 641 NE2 GLN A 41 13.724 36.831 4.102 1.00 0.00 N ATOM 0 H GLN A 41 11.867 31.092 2.717 1.00 0.00 H new ATOM 0 HA GLN A 41 11.558 33.356 1.014 1.00 0.00 H new ATOM 0 HB2 GLN A 41 11.709 33.377 3.512 1.00 0.00 H new ATOM 0 HB3 GLN A 41 13.376 32.848 3.409 1.00 0.00 H new ATOM 0 HG2 GLN A 41 13.987 34.920 2.189 1.00 0.00 H new ATOM 0 HG3 GLN A 41 12.314 35.442 2.200 1.00 0.00 H new ATOM 0 HE21 GLN A 41 13.899 37.301 3.214 1.00 0.00 H new ATOM 0 HE22 GLN A 41 13.885 37.324 4.981 1.00 0.00 H new ATOM 650 N ILE A 42 14.498 31.824 0.830 1.00 0.00 N ATOM 651 CA ILE A 42 15.712 31.660 0.000 1.00 0.00 C ATOM 652 C ILE A 42 15.346 31.369 -1.457 1.00 0.00 C ATOM 653 O ILE A 42 15.812 32.077 -2.344 1.00 0.00 O ATOM 654 CB ILE A 42 16.628 30.558 0.610 1.00 0.00 C ATOM 655 CG1 ILE A 42 17.418 31.148 1.802 1.00 0.00 C ATOM 656 CG2 ILE A 42 17.585 29.900 -0.408 1.00 0.00 C ATOM 657 CD1 ILE A 42 18.191 30.105 2.621 1.00 0.00 C ATOM 0 H ILE A 42 14.448 31.157 1.600 1.00 0.00 H new ATOM 0 HA ILE A 42 16.272 32.595 -0.000 1.00 0.00 H new ATOM 0 HB ILE A 42 15.972 29.756 0.949 1.00 0.00 H new ATOM 0 HG12 ILE A 42 18.120 31.892 1.426 1.00 0.00 H new ATOM 0 HG13 ILE A 42 16.724 31.670 2.461 1.00 0.00 H new ATOM 0 HG21 ILE A 42 18.188 29.144 0.095 1.00 0.00 H new ATOM 0 HG22 ILE A 42 17.005 29.431 -1.203 1.00 0.00 H new ATOM 0 HG23 ILE A 42 18.239 30.660 -0.836 1.00 0.00 H new ATOM 0 HD11 ILE A 42 18.717 30.600 3.437 1.00 0.00 H new ATOM 0 HD12 ILE A 42 17.494 29.374 3.030 1.00 0.00 H new ATOM 0 HD13 ILE A 42 18.912 29.599 1.979 1.00 0.00 H new ATOM 669 N LEU A 43 14.487 30.376 -1.709 1.00 0.00 N ATOM 670 CA LEU A 43 14.090 29.943 -3.057 1.00 0.00 C ATOM 671 C LEU A 43 13.383 31.083 -3.804 1.00 0.00 C ATOM 672 O LEU A 43 13.776 31.458 -4.914 1.00 0.00 O ATOM 673 CB LEU A 43 13.200 28.686 -2.921 1.00 0.00 C ATOM 674 CG LEU A 43 13.980 27.432 -2.460 1.00 0.00 C ATOM 675 CD1 LEU A 43 13.043 26.409 -1.805 1.00 0.00 C ATOM 676 CD2 LEU A 43 14.721 26.772 -3.633 1.00 0.00 C ATOM 0 H LEU A 43 14.038 29.838 -0.968 1.00 0.00 H new ATOM 0 HA LEU A 43 14.968 29.686 -3.651 1.00 0.00 H new ATOM 0 HB2 LEU A 43 12.401 28.890 -2.209 1.00 0.00 H new ATOM 0 HB3 LEU A 43 12.727 28.479 -3.881 1.00 0.00 H new ATOM 0 HG LEU A 43 14.713 27.763 -1.725 1.00 0.00 H new ATOM 0 HD11 LEU A 43 13.618 25.538 -1.491 1.00 0.00 H new ATOM 0 HD12 LEU A 43 12.563 26.859 -0.936 1.00 0.00 H new ATOM 0 HD13 LEU A 43 12.282 26.102 -2.522 1.00 0.00 H new ATOM 0 HD21 LEU A 43 15.259 25.894 -3.276 1.00 0.00 H new ATOM 0 HD22 LEU A 43 14.002 26.472 -4.395 1.00 0.00 H new ATOM 0 HD23 LEU A 43 15.429 27.482 -4.062 1.00 0.00 H new ATOM 688 N LYS A 44 12.380 31.693 -3.160 1.00 0.00 N ATOM 689 CA LYS A 44 11.657 32.828 -3.735 1.00 0.00 C ATOM 690 C LYS A 44 12.616 33.975 -4.090 1.00 0.00 C ATOM 691 O LYS A 44 12.613 34.419 -5.238 1.00 0.00 O ATOM 692 CB LYS A 44 10.523 33.253 -2.788 1.00 0.00 C ATOM 693 CG LYS A 44 9.633 34.323 -3.450 1.00 0.00 C ATOM 694 CD LYS A 44 8.326 34.586 -2.689 1.00 0.00 C ATOM 695 CE LYS A 44 8.578 35.147 -1.280 1.00 0.00 C ATOM 696 NZ LYS A 44 7.309 35.529 -0.601 1.00 0.00 N ATOM 0 H LYS A 44 12.051 31.415 -2.235 1.00 0.00 H new ATOM 0 HA LYS A 44 11.196 32.529 -4.677 1.00 0.00 H new ATOM 0 HB2 LYS A 44 9.920 32.385 -2.522 1.00 0.00 H new ATOM 0 HB3 LYS A 44 10.943 33.645 -1.862 1.00 0.00 H new ATOM 0 HG2 LYS A 44 10.194 35.255 -3.527 1.00 0.00 H new ATOM 0 HG3 LYS A 44 9.396 34.009 -4.467 1.00 0.00 H new ATOM 0 HD2 LYS A 44 7.714 35.289 -3.254 1.00 0.00 H new ATOM 0 HD3 LYS A 44 7.759 33.658 -2.613 1.00 0.00 H new ATOM 0 HE2 LYS A 44 9.101 34.402 -0.680 1.00 0.00 H new ATOM 0 HE3 LYS A 44 9.231 36.017 -1.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 7.521 35.903 0.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.822 36.258 -1.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 6.696 34.693 -0.514 1.00 0.00 H new ATOM 710 N SER A 45 13.460 34.393 -3.138 1.00 0.00 N ATOM 711 CA SER A 45 14.397 35.525 -3.263 1.00 0.00 C ATOM 712 C SER A 45 15.546 35.282 -4.261 1.00 0.00 C ATOM 713 O SER A 45 15.983 36.222 -4.933 1.00 0.00 O ATOM 714 CB SER A 45 15.019 35.874 -1.898 1.00 0.00 C ATOM 715 OG SER A 45 14.040 36.098 -0.893 1.00 0.00 O ATOM 0 H SER A 45 13.514 33.939 -2.226 1.00 0.00 H new ATOM 0 HA SER A 45 13.792 36.348 -3.644 1.00 0.00 H new ATOM 0 HB2 SER A 45 15.677 35.063 -1.585 1.00 0.00 H new ATOM 0 HB3 SER A 45 15.638 36.765 -2.002 1.00 0.00 H new ATOM 0 HG SER A 45 13.884 35.267 -0.397 1.00 0.00 H new ATOM 721 N LEU A 46 16.011 34.031 -4.393 1.00 0.00 N ATOM 722 CA LEU A 46 16.953 33.591 -5.426 1.00 0.00 C ATOM 723 C LEU A 46 16.370 33.834 -6.830 1.00 0.00 C ATOM 724 O LEU A 46 17.132 34.140 -7.748 1.00 0.00 O ATOM 725 CB LEU A 46 17.282 32.112 -5.143 1.00 0.00 C ATOM 726 CG LEU A 46 18.157 31.373 -6.169 1.00 0.00 C ATOM 727 CD1 LEU A 46 19.496 32.072 -6.434 1.00 0.00 C ATOM 728 CD2 LEU A 46 18.412 29.958 -5.631 1.00 0.00 C ATOM 0 H LEU A 46 15.732 33.278 -3.764 1.00 0.00 H new ATOM 0 HA LEU A 46 17.879 34.166 -5.399 1.00 0.00 H new ATOM 0 HB2 LEU A 46 17.779 32.057 -4.175 1.00 0.00 H new ATOM 0 HB3 LEU A 46 16.341 31.570 -5.050 1.00 0.00 H new ATOM 0 HG LEU A 46 17.627 31.356 -7.121 1.00 0.00 H new ATOM 0 HD11 LEU A 46 20.066 31.501 -7.167 1.00 0.00 H new ATOM 0 HD12 LEU A 46 19.313 33.075 -6.819 1.00 0.00 H new ATOM 0 HD13 LEU A 46 20.062 32.138 -5.505 1.00 0.00 H new ATOM 0 HD21 LEU A 46 19.032 29.406 -6.338 1.00 0.00 H new ATOM 0 HD22 LEU A 46 18.924 30.021 -4.671 1.00 0.00 H new ATOM 0 HD23 LEU A 46 17.461 29.441 -5.502 1.00 0.00 H new ATOM 740 N ASN A 47 15.038 33.721 -6.949 1.00 0.00 N ATOM 741 CA ASN A 47 14.150 34.097 -8.067 1.00 0.00 C ATOM 742 C ASN A 47 13.421 32.866 -8.618 1.00 0.00 C ATOM 743 O ASN A 47 13.753 32.362 -9.695 1.00 0.00 O ATOM 744 CB ASN A 47 14.804 34.961 -9.172 1.00 0.00 C ATOM 745 CG ASN A 47 13.799 35.510 -10.185 1.00 0.00 C ATOM 746 OD1 ASN A 47 12.586 35.494 -9.990 1.00 0.00 O ATOM 747 ND2 ASN A 47 14.279 36.020 -11.306 1.00 0.00 N ATOM 0 H ASN A 47 14.496 33.321 -6.183 1.00 0.00 H new ATOM 0 HA ASN A 47 13.409 34.772 -7.640 1.00 0.00 H new ATOM 0 HB2 ASN A 47 15.333 35.793 -8.707 1.00 0.00 H new ATOM 0 HB3 ASN A 47 15.549 34.364 -9.697 1.00 0.00 H new ATOM 0 HD21 ASN A 47 13.643 36.399 -12.007 1.00 0.00 H new ATOM 0 HD22 ASN A 47 15.286 36.034 -11.470 1.00 0.00 H new ATOM 754 N ALA A 48 12.442 32.361 -7.855 1.00 0.00 N ATOM 755 CA ALA A 48 11.698 31.158 -8.250 1.00 0.00 C ATOM 756 C ALA A 48 10.268 31.072 -7.672 1.00 0.00 C ATOM 757 O ALA A 48 10.072 31.413 -6.500 1.00 0.00 O ATOM 758 CB ALA A 48 12.506 29.921 -7.827 1.00 0.00 C ATOM 0 H ALA A 48 12.148 32.765 -6.965 1.00 0.00 H new ATOM 0 HA ALA A 48 11.572 31.207 -9.332 1.00 0.00 H new ATOM 0 HB1 ALA A 48 11.966 29.018 -8.114 1.00 0.00 H new ATOM 0 HB2 ALA A 48 13.478 29.935 -8.321 1.00 0.00 H new ATOM 0 HB3 ALA A 48 12.648 29.931 -6.746 1.00 0.00 H new ATOM 764 N PRO A 49 9.279 30.592 -8.456 1.00 0.00 N ATOM 765 CA PRO A 49 7.955 30.245 -7.948 1.00 0.00 C ATOM 766 C PRO A 49 8.056 28.893 -7.226 1.00 0.00 C ATOM 767 O PRO A 49 8.973 28.113 -7.494 1.00 0.00 O ATOM 768 CB PRO A 49 7.054 30.161 -9.185 1.00 0.00 C ATOM 769 CG PRO A 49 8.011 29.660 -10.266 1.00 0.00 C ATOM 770 CD PRO A 49 9.342 30.317 -9.891 1.00 0.00 C ATOM 0 HA PRO A 49 7.556 30.969 -7.237 1.00 0.00 H new ATOM 0 HB2 PRO A 49 6.221 29.475 -9.033 1.00 0.00 H new ATOM 0 HB3 PRO A 49 6.626 31.130 -9.441 1.00 0.00 H new ATOM 0 HG2 PRO A 49 8.085 28.573 -10.265 1.00 0.00 H new ATOM 0 HG3 PRO A 49 7.683 29.956 -11.262 1.00 0.00 H new ATOM 0 HD2 PRO A 49 10.179 29.658 -10.123 1.00 0.00 H new ATOM 0 HD3 PRO A 49 9.494 31.237 -10.456 1.00 0.00 H new ATOM 778 N PHE A 50 7.110 28.597 -6.327 1.00 0.00 N ATOM 779 CA PHE A 50 7.099 27.347 -5.559 1.00 0.00 C ATOM 780 C PHE A 50 5.693 26.945 -5.084 1.00 0.00 C ATOM 781 O PHE A 50 4.728 27.704 -5.214 1.00 0.00 O ATOM 782 CB PHE A 50 8.106 27.441 -4.391 1.00 0.00 C ATOM 783 CG PHE A 50 7.651 28.263 -3.204 1.00 0.00 C ATOM 784 CD1 PHE A 50 7.847 29.656 -3.194 1.00 0.00 C ATOM 785 CD2 PHE A 50 7.046 27.635 -2.096 1.00 0.00 C ATOM 786 CE1 PHE A 50 7.427 30.418 -2.090 1.00 0.00 C ATOM 787 CE2 PHE A 50 6.623 28.399 -0.995 1.00 0.00 C ATOM 788 CZ PHE A 50 6.806 29.793 -0.995 1.00 0.00 C ATOM 0 H PHE A 50 6.330 29.218 -6.112 1.00 0.00 H new ATOM 0 HA PHE A 50 7.413 26.544 -6.226 1.00 0.00 H new ATOM 0 HB2 PHE A 50 8.332 26.432 -4.047 1.00 0.00 H new ATOM 0 HB3 PHE A 50 9.036 27.865 -4.769 1.00 0.00 H new ATOM 0 HD1 PHE A 50 8.321 30.140 -4.035 1.00 0.00 H new ATOM 0 HD2 PHE A 50 6.907 26.564 -2.093 1.00 0.00 H new ATOM 0 HE1 PHE A 50 7.582 31.487 -2.083 1.00 0.00 H new ATOM 0 HE2 PHE A 50 6.157 27.915 -0.149 1.00 0.00 H new ATOM 0 HZ PHE A 50 6.470 30.383 -0.155 1.00 0.00 H new ATOM 798 N GLU A 51 5.586 25.744 -4.513 1.00 0.00 N ATOM 799 CA GLU A 51 4.364 25.208 -3.913 1.00 0.00 C ATOM 800 C GLU A 51 4.706 24.315 -2.710 1.00 0.00 C ATOM 801 O GLU A 51 5.802 23.764 -2.635 1.00 0.00 O ATOM 802 CB GLU A 51 3.571 24.453 -4.997 1.00 0.00 C ATOM 803 CG GLU A 51 2.179 23.978 -4.568 1.00 0.00 C ATOM 804 CD GLU A 51 1.370 25.134 -3.969 1.00 0.00 C ATOM 805 OE1 GLU A 51 0.843 25.976 -4.734 1.00 0.00 O ATOM 806 OE2 GLU A 51 1.330 25.237 -2.722 1.00 0.00 O ATOM 0 H GLU A 51 6.373 25.097 -4.454 1.00 0.00 H new ATOM 0 HA GLU A 51 3.740 26.017 -3.533 1.00 0.00 H new ATOM 0 HB2 GLU A 51 3.465 25.102 -5.866 1.00 0.00 H new ATOM 0 HB3 GLU A 51 4.152 23.587 -5.314 1.00 0.00 H new ATOM 0 HG2 GLU A 51 1.650 23.565 -5.427 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.273 23.176 -3.836 1.00 0.00 H new ATOM 813 N SER A 52 3.783 24.154 -1.767 1.00 0.00 N ATOM 814 CA SER A 52 3.920 23.207 -0.655 1.00 0.00 C ATOM 815 C SER A 52 2.808 22.147 -0.700 1.00 0.00 C ATOM 816 O SER A 52 1.623 22.479 -0.796 1.00 0.00 O ATOM 817 CB SER A 52 3.888 23.934 0.694 1.00 0.00 C ATOM 818 OG SER A 52 4.220 23.020 1.728 1.00 0.00 O ATOM 0 H SER A 52 2.909 24.680 -1.749 1.00 0.00 H new ATOM 0 HA SER A 52 4.885 22.712 -0.762 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.592 24.766 0.688 1.00 0.00 H new ATOM 0 HB3 SER A 52 2.898 24.355 0.870 1.00 0.00 H new ATOM 0 HG SER A 52 3.654 23.191 2.510 1.00 0.00 H new ATOM 824 N VAL A 53 3.185 20.869 -0.610 1.00 0.00 N ATOM 825 CA VAL A 53 2.262 19.731 -0.508 1.00 0.00 C ATOM 826 C VAL A 53 2.121 19.352 0.966 1.00 0.00 C ATOM 827 O VAL A 53 3.108 19.021 1.627 1.00 0.00 O ATOM 828 CB VAL A 53 2.749 18.538 -1.358 1.00 0.00 C ATOM 829 CG1 VAL A 53 1.943 17.249 -1.108 1.00 0.00 C ATOM 830 CG2 VAL A 53 2.703 18.880 -2.855 1.00 0.00 C ATOM 0 H VAL A 53 4.165 20.588 -0.606 1.00 0.00 H new ATOM 0 HA VAL A 53 1.286 20.013 -0.903 1.00 0.00 H new ATOM 0 HB VAL A 53 3.777 18.350 -1.048 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.334 16.448 -1.735 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.029 16.964 -0.059 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.895 17.422 -1.352 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.051 18.025 -3.434 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.679 19.121 -3.142 1.00 0.00 H new ATOM 0 HG23 VAL A 53 3.346 19.737 -3.052 1.00 0.00 H new ATOM 840 N ASN A 54 0.877 19.388 1.457 1.00 0.00 N ATOM 841 CA ASN A 54 0.511 19.005 2.820 1.00 0.00 C ATOM 842 C ASN A 54 0.549 17.472 2.970 1.00 0.00 C ATOM 843 O ASN A 54 -0.451 16.788 2.754 1.00 0.00 O ATOM 844 CB ASN A 54 -0.863 19.601 3.180 1.00 0.00 C ATOM 845 CG ASN A 54 -1.316 19.269 4.603 1.00 0.00 C ATOM 846 OD1 ASN A 54 -0.617 18.625 5.376 1.00 0.00 O ATOM 847 ND2 ASN A 54 -2.508 19.686 4.984 1.00 0.00 N ATOM 0 H ASN A 54 0.078 19.693 0.901 1.00 0.00 H new ATOM 0 HA ASN A 54 1.236 19.411 3.526 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -0.823 20.684 3.063 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -1.607 19.231 2.474 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -2.847 19.472 5.922 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -3.090 20.222 4.341 1.00 0.00 H new ATOM 854 N ILE A 55 1.699 16.915 3.362 1.00 0.00 N ATOM 855 CA ILE A 55 1.871 15.454 3.499 1.00 0.00 C ATOM 856 C ILE A 55 1.087 14.854 4.675 1.00 0.00 C ATOM 857 O ILE A 55 0.847 13.652 4.688 1.00 0.00 O ATOM 858 CB ILE A 55 3.357 15.041 3.568 1.00 0.00 C ATOM 859 CG1 ILE A 55 4.120 15.712 4.735 1.00 0.00 C ATOM 860 CG2 ILE A 55 4.059 15.318 2.227 1.00 0.00 C ATOM 861 CD1 ILE A 55 4.999 14.721 5.498 1.00 0.00 C ATOM 0 H ILE A 55 2.534 17.453 3.593 1.00 0.00 H new ATOM 0 HA ILE A 55 1.445 15.034 2.588 1.00 0.00 H new ATOM 0 HB ILE A 55 3.373 13.969 3.765 1.00 0.00 H new ATOM 0 HG12 ILE A 55 4.740 16.519 4.345 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.405 16.164 5.422 1.00 0.00 H new ATOM 0 HG21 ILE A 55 5.105 15.020 2.296 1.00 0.00 H new ATOM 0 HG22 ILE A 55 3.571 14.748 1.436 1.00 0.00 H new ATOM 0 HG23 ILE A 55 3.999 16.382 1.998 1.00 0.00 H new ATOM 0 HD11 ILE A 55 5.514 15.239 6.307 1.00 0.00 H new ATOM 0 HD12 ILE A 55 4.377 13.928 5.913 1.00 0.00 H new ATOM 0 HD13 ILE A 55 5.734 14.288 4.819 1.00 0.00 H new ATOM 873 N LEU A 56 0.648 15.675 5.636 1.00 0.00 N ATOM 874 CA LEU A 56 -0.193 15.263 6.770 1.00 0.00 C ATOM 875 C LEU A 56 -1.698 15.224 6.426 1.00 0.00 C ATOM 876 O LEU A 56 -2.499 14.835 7.277 1.00 0.00 O ATOM 877 CB LEU A 56 0.117 16.190 7.973 1.00 0.00 C ATOM 878 CG LEU A 56 1.218 15.704 8.945 1.00 0.00 C ATOM 879 CD1 LEU A 56 0.784 14.445 9.709 1.00 0.00 C ATOM 880 CD2 LEU A 56 2.563 15.458 8.246 1.00 0.00 C ATOM 0 H LEU A 56 0.873 16.670 5.648 1.00 0.00 H new ATOM 0 HA LEU A 56 0.052 14.234 7.033 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.408 17.167 7.587 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.802 16.333 8.541 1.00 0.00 H new ATOM 0 HG LEU A 56 1.362 16.515 9.659 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.583 14.134 10.382 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.114 14.662 10.288 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.574 13.644 9.000 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.297 15.119 8.977 1.00 0.00 H new ATOM 0 HD22 LEU A 56 2.439 14.696 7.476 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.909 16.384 7.787 1.00 0.00 H new ATOM 892 N GLU A 57 -2.097 15.589 5.199 1.00 0.00 N ATOM 893 CA GLU A 57 -3.498 15.560 4.749 1.00 0.00 C ATOM 894 C GLU A 57 -4.090 14.132 4.710 1.00 0.00 C ATOM 895 O GLU A 57 -5.290 13.958 4.931 1.00 0.00 O ATOM 896 CB GLU A 57 -3.593 16.238 3.370 1.00 0.00 C ATOM 897 CG GLU A 57 -5.037 16.501 2.928 1.00 0.00 C ATOM 898 CD GLU A 57 -5.074 17.322 1.632 1.00 0.00 C ATOM 899 OE1 GLU A 57 -4.993 18.573 1.702 1.00 0.00 O ATOM 900 OE2 GLU A 57 -5.196 16.727 0.537 1.00 0.00 O ATOM 0 H GLU A 57 -1.449 15.917 4.482 1.00 0.00 H new ATOM 0 HA GLU A 57 -4.098 16.108 5.476 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -3.050 17.183 3.398 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -3.101 15.609 2.628 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -5.553 15.553 2.777 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -5.571 17.033 3.715 1.00 0.00 H new ATOM 907 N ASN A 58 -3.248 13.113 4.488 1.00 0.00 N ATOM 908 CA ASN A 58 -3.605 11.687 4.553 1.00 0.00 C ATOM 909 C ASN A 58 -2.369 10.788 4.757 1.00 0.00 C ATOM 910 O ASN A 58 -1.235 11.202 4.511 1.00 0.00 O ATOM 911 CB ASN A 58 -4.426 11.274 3.312 1.00 0.00 C ATOM 912 CG ASN A 58 -3.649 11.395 2.003 1.00 0.00 C ATOM 913 OD1 ASN A 58 -2.672 10.696 1.777 1.00 0.00 O ATOM 914 ND2 ASN A 58 -4.061 12.271 1.106 1.00 0.00 N ATOM 0 H ASN A 58 -2.267 13.263 4.250 1.00 0.00 H new ATOM 0 HA ASN A 58 -4.234 11.541 5.431 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -4.761 10.244 3.433 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -5.320 11.895 3.254 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -3.564 12.367 0.221 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -4.877 12.852 1.298 1.00 0.00 H new ATOM 921 N GLU A 59 -2.580 9.537 5.191 1.00 0.00 N ATOM 922 CA GLU A 59 -1.473 8.625 5.524 1.00 0.00 C ATOM 923 C GLU A 59 -0.672 8.185 4.288 1.00 0.00 C ATOM 924 O GLU A 59 0.539 8.000 4.390 1.00 0.00 O ATOM 925 CB GLU A 59 -1.985 7.395 6.290 1.00 0.00 C ATOM 926 CG GLU A 59 -2.708 7.777 7.589 1.00 0.00 C ATOM 927 CD GLU A 59 -2.838 6.579 8.540 1.00 0.00 C ATOM 928 OE1 GLU A 59 -3.743 5.734 8.342 1.00 0.00 O ATOM 929 OE2 GLU A 59 -2.036 6.486 9.501 1.00 0.00 O ATOM 0 H GLU A 59 -3.507 9.132 5.320 1.00 0.00 H new ATOM 0 HA GLU A 59 -0.794 9.188 6.164 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -2.664 6.829 5.652 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -1.146 6.740 6.523 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -2.163 8.579 8.087 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -3.699 8.164 7.353 1.00 0.00 H new ATOM 936 N LEU A 60 -1.307 8.070 3.114 1.00 0.00 N ATOM 937 CA LEU A 60 -0.639 7.656 1.873 1.00 0.00 C ATOM 938 C LEU A 60 0.450 8.659 1.463 1.00 0.00 C ATOM 939 O LEU A 60 1.541 8.248 1.075 1.00 0.00 O ATOM 940 CB LEU A 60 -1.670 7.456 0.739 1.00 0.00 C ATOM 941 CG LEU A 60 -2.558 6.193 0.787 1.00 0.00 C ATOM 942 CD1 LEU A 60 -1.723 4.904 0.732 1.00 0.00 C ATOM 943 CD2 LEU A 60 -3.511 6.146 1.991 1.00 0.00 C ATOM 0 H LEU A 60 -2.302 8.262 2.998 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.149 6.700 2.058 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.326 8.326 0.726 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.130 7.450 -0.208 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.179 6.257 -0.107 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.386 4.039 0.768 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -1.148 4.882 -0.194 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.042 4.875 1.583 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.100 5.230 1.953 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.932 6.168 2.914 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.178 7.007 1.961 1.00 0.00 H new ATOM 955 N LEU A 61 0.200 9.968 1.618 1.00 0.00 N ATOM 956 CA LEU A 61 1.232 11.002 1.459 1.00 0.00 C ATOM 957 C LEU A 61 2.298 10.888 2.562 1.00 0.00 C ATOM 958 O LEU A 61 3.486 10.801 2.248 1.00 0.00 O ATOM 959 CB LEU A 61 0.586 12.402 1.456 1.00 0.00 C ATOM 960 CG LEU A 61 -0.295 12.739 0.239 1.00 0.00 C ATOM 961 CD1 LEU A 61 -1.063 14.041 0.514 1.00 0.00 C ATOM 962 CD2 LEU A 61 0.527 12.914 -1.045 1.00 0.00 C ATOM 0 H LEU A 61 -0.720 10.338 1.856 1.00 0.00 H new ATOM 0 HA LEU A 61 1.730 10.851 0.501 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.020 12.502 2.356 1.00 0.00 H new ATOM 0 HB3 LEU A 61 1.380 13.146 1.522 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.979 11.904 0.090 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -1.688 14.283 -0.345 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.692 13.913 1.395 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.355 14.851 0.687 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.140 13.150 -1.874 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.242 13.726 -0.911 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.063 11.990 -1.263 1.00 0.00 H new ATOM 974 N ARG A 62 1.883 10.839 3.835 1.00 0.00 N ATOM 975 CA ARG A 62 2.784 10.812 4.999 1.00 0.00 C ATOM 976 C ARG A 62 3.795 9.649 4.947 1.00 0.00 C ATOM 977 O ARG A 62 4.982 9.853 5.202 1.00 0.00 O ATOM 978 CB ARG A 62 1.949 10.745 6.290 1.00 0.00 C ATOM 979 CG ARG A 62 2.786 11.053 7.544 1.00 0.00 C ATOM 980 CD ARG A 62 2.002 10.793 8.837 1.00 0.00 C ATOM 981 NE ARG A 62 1.762 9.352 9.022 1.00 0.00 N ATOM 982 CZ ARG A 62 0.665 8.766 9.479 1.00 0.00 C ATOM 983 NH1 ARG A 62 -0.354 9.435 9.980 1.00 0.00 N ATOM 984 NH2 ARG A 62 0.583 7.459 9.422 1.00 0.00 N ATOM 0 H ARG A 62 0.896 10.817 4.091 1.00 0.00 H new ATOM 0 HA ARG A 62 3.372 11.730 4.982 1.00 0.00 H new ATOM 0 HB2 ARG A 62 1.124 11.454 6.224 1.00 0.00 H new ATOM 0 HB3 ARG A 62 1.509 9.752 6.384 1.00 0.00 H new ATOM 0 HG2 ARG A 62 3.688 10.440 7.537 1.00 0.00 H new ATOM 0 HG3 ARG A 62 3.108 12.094 7.518 1.00 0.00 H new ATOM 0 HD2 ARG A 62 2.556 11.186 9.689 1.00 0.00 H new ATOM 0 HD3 ARG A 62 1.050 11.323 8.804 1.00 0.00 H new ATOM 0 HE ARG A 62 2.531 8.732 8.768 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -0.321 10.453 10.029 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -1.176 8.934 10.318 1.00 0.00 H new ATOM 0 HH21 ARG A 62 1.354 6.916 9.032 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -0.251 6.985 9.768 1.00 0.00 H new ATOM 998 N GLN A 63 3.338 8.438 4.604 1.00 0.00 N ATOM 999 CA GLN A 63 4.194 7.251 4.477 1.00 0.00 C ATOM 1000 C GLN A 63 4.891 7.165 3.103 1.00 0.00 C ATOM 1001 O GLN A 63 5.942 6.533 3.000 1.00 0.00 O ATOM 1002 CB GLN A 63 3.363 5.972 4.701 1.00 0.00 C ATOM 1003 CG GLN A 63 2.614 5.880 6.046 1.00 0.00 C ATOM 1004 CD GLN A 63 3.477 6.156 7.273 1.00 0.00 C ATOM 1005 OE1 GLN A 63 3.227 7.089 8.028 1.00 0.00 O ATOM 1006 NE2 GLN A 63 4.510 5.380 7.532 1.00 0.00 N ATOM 0 H GLN A 63 2.355 8.253 4.405 1.00 0.00 H new ATOM 0 HA GLN A 63 4.969 7.340 5.239 1.00 0.00 H new ATOM 0 HB2 GLN A 63 2.634 5.891 3.895 1.00 0.00 H new ATOM 0 HB3 GLN A 63 4.027 5.112 4.618 1.00 0.00 H new ATOM 0 HG2 GLN A 63 1.785 6.588 6.034 1.00 0.00 H new ATOM 0 HG3 GLN A 63 2.182 4.884 6.139 1.00 0.00 H new ATOM 0 HE21 GLN A 63 4.730 4.600 6.913 1.00 0.00 H new ATOM 0 HE22 GLN A 63 5.090 5.559 8.352 1.00 0.00 H new ATOM 1015 N GLY A 64 4.326 7.782 2.058 1.00 0.00 N ATOM 1016 CA GLY A 64 4.758 7.611 0.668 1.00 0.00 C ATOM 1017 C GLY A 64 5.854 8.563 0.205 1.00 0.00 C ATOM 1018 O GLY A 64 6.752 8.127 -0.516 1.00 0.00 O ATOM 0 H GLY A 64 3.541 8.426 2.158 1.00 0.00 H new ATOM 0 HA2 GLY A 64 5.109 6.588 0.537 1.00 0.00 H new ATOM 0 HA3 GLY A 64 3.892 7.736 0.018 1.00 0.00 H new ATOM 1022 N LEU A 65 5.820 9.846 0.591 1.00 0.00 N ATOM 1023 CA LEU A 65 6.727 10.851 0.009 1.00 0.00 C ATOM 1024 C LEU A 65 8.210 10.559 0.273 1.00 0.00 C ATOM 1025 O LEU A 65 9.041 10.784 -0.604 1.00 0.00 O ATOM 1026 CB LEU A 65 6.338 12.278 0.454 1.00 0.00 C ATOM 1027 CG LEU A 65 5.467 13.071 -0.547 1.00 0.00 C ATOM 1028 CD1 LEU A 65 6.132 13.221 -1.923 1.00 0.00 C ATOM 1029 CD2 LEU A 65 4.072 12.465 -0.715 1.00 0.00 C ATOM 0 H LEU A 65 5.181 10.212 1.297 1.00 0.00 H new ATOM 0 HA LEU A 65 6.602 10.786 -1.072 1.00 0.00 H new ATOM 0 HB2 LEU A 65 5.803 12.212 1.401 1.00 0.00 H new ATOM 0 HB3 LEU A 65 7.251 12.843 0.642 1.00 0.00 H new ATOM 0 HG LEU A 65 5.363 14.064 -0.109 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.475 13.786 -2.585 1.00 0.00 H new ATOM 0 HD12 LEU A 65 7.079 13.749 -1.814 1.00 0.00 H new ATOM 0 HD13 LEU A 65 6.314 12.234 -2.349 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.501 13.059 -1.428 1.00 0.00 H new ATOM 0 HD22 LEU A 65 4.161 11.443 -1.083 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.559 12.461 0.247 1.00 0.00 H new ATOM 1041 N LYS A 66 8.541 9.974 1.429 1.00 0.00 N ATOM 1042 CA LYS A 66 9.910 9.539 1.743 1.00 0.00 C ATOM 1043 C LYS A 66 10.459 8.475 0.766 1.00 0.00 C ATOM 1044 O LYS A 66 11.661 8.461 0.499 1.00 0.00 O ATOM 1045 CB LYS A 66 9.987 9.082 3.213 1.00 0.00 C ATOM 1046 CG LYS A 66 9.056 7.909 3.579 1.00 0.00 C ATOM 1047 CD LYS A 66 9.007 7.641 5.093 1.00 0.00 C ATOM 1048 CE LYS A 66 10.336 7.192 5.728 1.00 0.00 C ATOM 1049 NZ LYS A 66 10.717 5.800 5.348 1.00 0.00 N ATOM 0 H LYS A 66 7.870 9.788 2.174 1.00 0.00 H new ATOM 0 HA LYS A 66 10.566 10.399 1.608 1.00 0.00 H new ATOM 0 HB2 LYS A 66 11.015 8.794 3.435 1.00 0.00 H new ATOM 0 HB3 LYS A 66 9.748 9.930 3.855 1.00 0.00 H new ATOM 0 HG2 LYS A 66 8.050 8.123 3.219 1.00 0.00 H new ATOM 0 HG3 LYS A 66 9.393 7.009 3.065 1.00 0.00 H new ATOM 0 HD2 LYS A 66 8.673 8.549 5.595 1.00 0.00 H new ATOM 0 HD3 LYS A 66 8.255 6.875 5.285 1.00 0.00 H new ATOM 0 HE2 LYS A 66 11.128 7.876 5.424 1.00 0.00 H new ATOM 0 HE3 LYS A 66 10.256 7.259 6.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 11.618 5.550 5.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 9.977 5.140 5.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 10.822 5.738 4.315 1.00 0.00 H new ATOM 1063 N GLU A 67 9.597 7.614 0.210 1.00 0.00 N ATOM 1064 CA GLU A 67 9.958 6.639 -0.830 1.00 0.00 C ATOM 1065 C GLU A 67 9.947 7.262 -2.240 1.00 0.00 C ATOM 1066 O GLU A 67 10.784 6.911 -3.074 1.00 0.00 O ATOM 1067 CB GLU A 67 9.013 5.424 -0.797 1.00 0.00 C ATOM 1068 CG GLU A 67 9.077 4.656 0.530 1.00 0.00 C ATOM 1069 CD GLU A 67 8.375 3.295 0.409 1.00 0.00 C ATOM 1070 OE1 GLU A 67 7.128 3.237 0.517 1.00 0.00 O ATOM 1071 OE2 GLU A 67 9.070 2.267 0.216 1.00 0.00 O ATOM 0 H GLU A 67 8.613 7.574 0.474 1.00 0.00 H new ATOM 0 HA GLU A 67 10.975 6.313 -0.612 1.00 0.00 H new ATOM 0 HB2 GLU A 67 7.990 5.760 -0.968 1.00 0.00 H new ATOM 0 HB3 GLU A 67 9.267 4.749 -1.614 1.00 0.00 H new ATOM 0 HG2 GLU A 67 10.117 4.509 0.820 1.00 0.00 H new ATOM 0 HG3 GLU A 67 8.607 5.244 1.318 1.00 0.00 H new ATOM 1078 N TYR A 68 9.032 8.204 -2.508 1.00 0.00 N ATOM 1079 CA TYR A 68 8.971 8.963 -3.765 1.00 0.00 C ATOM 1080 C TYR A 68 10.258 9.775 -4.023 1.00 0.00 C ATOM 1081 O TYR A 68 10.762 9.791 -5.147 1.00 0.00 O ATOM 1082 CB TYR A 68 7.735 9.878 -3.725 1.00 0.00 C ATOM 1083 CG TYR A 68 7.523 10.737 -4.958 1.00 0.00 C ATOM 1084 CD1 TYR A 68 6.838 10.217 -6.072 1.00 0.00 C ATOM 1085 CD2 TYR A 68 7.983 12.070 -4.977 1.00 0.00 C ATOM 1086 CE1 TYR A 68 6.612 11.020 -7.205 1.00 0.00 C ATOM 1087 CE2 TYR A 68 7.757 12.883 -6.106 1.00 0.00 C ATOM 1088 CZ TYR A 68 7.070 12.356 -7.225 1.00 0.00 C ATOM 1089 OH TYR A 68 6.843 13.131 -8.322 1.00 0.00 O ATOM 0 H TYR A 68 8.301 8.464 -1.846 1.00 0.00 H new ATOM 0 HA TYR A 68 8.887 8.261 -4.595 1.00 0.00 H new ATOM 0 HB2 TYR A 68 6.850 9.259 -3.577 1.00 0.00 H new ATOM 0 HB3 TYR A 68 7.815 10.532 -2.857 1.00 0.00 H new ATOM 0 HD1 TYR A 68 6.484 9.197 -6.057 1.00 0.00 H new ATOM 0 HD2 TYR A 68 8.510 12.469 -4.123 1.00 0.00 H new ATOM 0 HE1 TYR A 68 6.089 10.615 -8.059 1.00 0.00 H new ATOM 0 HE2 TYR A 68 8.107 13.905 -6.117 1.00 0.00 H new ATOM 0 HH TYR A 68 7.220 14.024 -8.176 1.00 0.00 H new ATOM 1099 N SER A 69 10.809 10.426 -2.994 1.00 0.00 N ATOM 1100 CA SER A 69 12.102 11.116 -3.062 1.00 0.00 C ATOM 1101 C SER A 69 13.296 10.165 -2.844 1.00 0.00 C ATOM 1102 O SER A 69 14.060 9.930 -3.780 1.00 0.00 O ATOM 1103 CB SER A 69 12.120 12.271 -2.049 1.00 0.00 C ATOM 1104 OG SER A 69 11.890 11.842 -0.720 1.00 0.00 O ATOM 0 H SER A 69 10.364 10.490 -2.078 1.00 0.00 H new ATOM 0 HA SER A 69 12.215 11.515 -4.070 1.00 0.00 H new ATOM 0 HB2 SER A 69 13.084 12.777 -2.100 1.00 0.00 H new ATOM 0 HB3 SER A 69 11.361 13.002 -2.326 1.00 0.00 H new ATOM 0 HG SER A 69 12.082 12.577 -0.101 1.00 0.00 H new ATOM 1110 N SER A 70 13.428 9.635 -1.620 1.00 0.00 N ATOM 1111 CA SER A 70 14.471 8.793 -0.981 1.00 0.00 C ATOM 1112 C SER A 70 14.813 9.306 0.438 1.00 0.00 C ATOM 1113 O SER A 70 15.305 8.541 1.272 1.00 0.00 O ATOM 1114 CB SER A 70 15.791 8.672 -1.768 1.00 0.00 C ATOM 1115 OG SER A 70 15.615 7.993 -2.997 1.00 0.00 O ATOM 0 H SER A 70 12.688 9.813 -0.941 1.00 0.00 H new ATOM 0 HA SER A 70 14.018 7.802 -0.952 1.00 0.00 H new ATOM 0 HB2 SER A 70 16.192 9.667 -1.958 1.00 0.00 H new ATOM 0 HB3 SER A 70 16.527 8.142 -1.163 1.00 0.00 H new ATOM 0 HG SER A 70 15.271 8.618 -3.669 1.00 0.00 H new ATOM 1121 N TRP A 71 14.569 10.595 0.725 1.00 0.00 N ATOM 1122 CA TRP A 71 14.931 11.242 1.993 1.00 0.00 C ATOM 1123 C TRP A 71 13.862 10.999 3.088 1.00 0.00 C ATOM 1124 O TRP A 71 12.672 11.182 2.813 1.00 0.00 O ATOM 1125 CB TRP A 71 15.150 12.736 1.732 1.00 0.00 C ATOM 1126 CG TRP A 71 15.712 13.513 2.881 1.00 0.00 C ATOM 1127 CD1 TRP A 71 15.014 14.349 3.678 1.00 0.00 C ATOM 1128 CD2 TRP A 71 17.087 13.551 3.381 1.00 0.00 C ATOM 1129 NE1 TRP A 71 15.845 14.907 4.623 1.00 0.00 N ATOM 1130 CE2 TRP A 71 17.133 14.444 4.494 1.00 0.00 C ATOM 1131 CE3 TRP A 71 18.297 12.918 3.017 1.00 0.00 C ATOM 1132 CZ2 TRP A 71 18.311 14.699 5.207 1.00 0.00 C ATOM 1133 CZ3 TRP A 71 19.488 13.165 3.730 1.00 0.00 C ATOM 1134 CH2 TRP A 71 19.497 14.048 4.823 1.00 0.00 C ATOM 0 H TRP A 71 14.107 11.226 0.070 1.00 0.00 H new ATOM 0 HA TRP A 71 15.853 10.803 2.373 1.00 0.00 H new ATOM 0 HB2 TRP A 71 15.821 12.844 0.880 1.00 0.00 H new ATOM 0 HB3 TRP A 71 14.197 13.181 1.446 1.00 0.00 H new ATOM 0 HD1 TRP A 71 13.957 14.551 3.588 1.00 0.00 H new ATOM 0 HE1 TRP A 71 15.543 15.579 5.329 1.00 0.00 H new ATOM 0 HE3 TRP A 71 18.310 12.235 2.180 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 18.309 15.386 6.040 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 20.402 12.671 3.433 1.00 0.00 H new ATOM 0 HH2 TRP A 71 20.413 14.226 5.367 1.00 0.00 H new ATOM 1145 N PRO A 72 14.247 10.596 4.319 1.00 0.00 N ATOM 1146 CA PRO A 72 13.298 10.137 5.338 1.00 0.00 C ATOM 1147 C PRO A 72 12.643 11.260 6.159 1.00 0.00 C ATOM 1148 O PRO A 72 11.553 11.051 6.692 1.00 0.00 O ATOM 1149 CB PRO A 72 14.123 9.220 6.245 1.00 0.00 C ATOM 1150 CG PRO A 72 15.519 9.839 6.195 1.00 0.00 C ATOM 1151 CD PRO A 72 15.615 10.326 4.752 1.00 0.00 C ATOM 0 HA PRO A 72 12.453 9.643 4.858 1.00 0.00 H new ATOM 0 HB2 PRO A 72 13.729 9.199 7.261 1.00 0.00 H new ATOM 0 HB3 PRO A 72 14.126 8.192 5.882 1.00 0.00 H new ATOM 0 HG2 PRO A 72 15.625 10.657 6.907 1.00 0.00 H new ATOM 0 HG3 PRO A 72 16.295 9.110 6.429 1.00 0.00 H new ATOM 0 HD2 PRO A 72 16.229 11.224 4.685 1.00 0.00 H new ATOM 0 HD3 PRO A 72 16.082 9.573 4.118 1.00 0.00 H new ATOM 1159 N THR A 73 13.298 12.423 6.294 1.00 0.00 N ATOM 1160 CA THR A 73 12.902 13.505 7.217 1.00 0.00 C ATOM 1161 C THR A 73 12.060 14.569 6.507 1.00 0.00 C ATOM 1162 O THR A 73 12.237 14.808 5.315 1.00 0.00 O ATOM 1163 CB THR A 73 14.160 14.128 7.844 1.00 0.00 C ATOM 1164 OG1 THR A 73 14.983 13.108 8.367 1.00 0.00 O ATOM 1165 CG2 THR A 73 13.858 15.099 8.988 1.00 0.00 C ATOM 0 H THR A 73 14.135 12.645 5.755 1.00 0.00 H new ATOM 0 HA THR A 73 12.281 13.080 8.005 1.00 0.00 H new ATOM 0 HB THR A 73 14.647 14.684 7.043 1.00 0.00 H new ATOM 0 HG1 THR A 73 15.785 13.507 8.765 1.00 0.00 H new ATOM 0 HG21 THR A 73 14.792 15.499 9.382 1.00 0.00 H new ATOM 0 HG22 THR A 73 13.240 15.917 8.617 1.00 0.00 H new ATOM 0 HG23 THR A 73 13.326 14.573 9.781 1.00 0.00 H new ATOM 1173 N PHE A 74 11.180 15.241 7.258 1.00 0.00 N ATOM 1174 CA PHE A 74 10.418 16.422 6.833 1.00 0.00 C ATOM 1175 C PHE A 74 10.588 17.579 7.855 1.00 0.00 C ATOM 1176 O PHE A 74 10.757 17.287 9.044 1.00 0.00 O ATOM 1177 CB PHE A 74 8.936 16.038 6.674 1.00 0.00 C ATOM 1178 CG PHE A 74 8.688 14.951 5.642 1.00 0.00 C ATOM 1179 CD1 PHE A 74 8.621 15.279 4.276 1.00 0.00 C ATOM 1180 CD2 PHE A 74 8.548 13.606 6.043 1.00 0.00 C ATOM 1181 CE1 PHE A 74 8.416 14.275 3.316 1.00 0.00 C ATOM 1182 CE2 PHE A 74 8.344 12.600 5.083 1.00 0.00 C ATOM 1183 CZ PHE A 74 8.276 12.936 3.719 1.00 0.00 C ATOM 0 H PHE A 74 10.970 14.966 8.218 1.00 0.00 H new ATOM 0 HA PHE A 74 10.798 16.773 5.874 1.00 0.00 H new ATOM 0 HB2 PHE A 74 8.552 15.704 7.638 1.00 0.00 H new ATOM 0 HB3 PHE A 74 8.369 16.926 6.395 1.00 0.00 H new ATOM 0 HD1 PHE A 74 8.728 16.307 3.964 1.00 0.00 H new ATOM 0 HD2 PHE A 74 8.598 13.348 7.091 1.00 0.00 H new ATOM 0 HE1 PHE A 74 8.366 14.532 2.268 1.00 0.00 H new ATOM 0 HE2 PHE A 74 8.240 11.571 5.392 1.00 0.00 H new ATOM 0 HZ PHE A 74 8.116 12.164 2.981 1.00 0.00 H new ATOM 1193 N PRO A 75 10.504 18.871 7.457 1.00 0.00 N ATOM 1194 CA PRO A 75 10.302 19.392 6.102 1.00 0.00 C ATOM 1195 C PRO A 75 11.400 19.007 5.105 1.00 0.00 C ATOM 1196 O PRO A 75 12.531 18.708 5.492 1.00 0.00 O ATOM 1197 CB PRO A 75 10.231 20.920 6.244 1.00 0.00 C ATOM 1198 CG PRO A 75 9.784 21.123 7.686 1.00 0.00 C ATOM 1199 CD PRO A 75 10.491 19.980 8.405 1.00 0.00 C ATOM 0 HA PRO A 75 9.392 18.955 5.690 1.00 0.00 H new ATOM 0 HB2 PRO A 75 11.198 21.386 6.054 1.00 0.00 H new ATOM 0 HB3 PRO A 75 9.523 21.356 5.539 1.00 0.00 H new ATOM 0 HG2 PRO A 75 10.086 22.096 8.073 1.00 0.00 H new ATOM 0 HG3 PRO A 75 8.701 21.061 7.789 1.00 0.00 H new ATOM 0 HD2 PRO A 75 11.504 20.263 8.691 1.00 0.00 H new ATOM 0 HD3 PRO A 75 9.966 19.708 9.320 1.00 0.00 H new ATOM 1207 N GLN A 76 11.051 19.008 3.817 1.00 0.00 N ATOM 1208 CA GLN A 76 11.888 18.470 2.741 1.00 0.00 C ATOM 1209 C GLN A 76 11.626 19.214 1.426 1.00 0.00 C ATOM 1210 O GLN A 76 10.489 19.587 1.130 1.00 0.00 O ATOM 1211 CB GLN A 76 11.576 16.968 2.637 1.00 0.00 C ATOM 1212 CG GLN A 76 12.372 16.161 1.606 1.00 0.00 C ATOM 1213 CD GLN A 76 11.871 14.712 1.512 1.00 0.00 C ATOM 1214 OE1 GLN A 76 11.667 14.176 0.434 1.00 0.00 O ATOM 1215 NE2 GLN A 76 11.663 14.009 2.605 1.00 0.00 N ATOM 0 H GLN A 76 10.164 19.389 3.486 1.00 0.00 H new ATOM 0 HA GLN A 76 12.948 18.610 2.955 1.00 0.00 H new ATOM 0 HB2 GLN A 76 11.739 16.520 3.617 1.00 0.00 H new ATOM 0 HB3 GLN A 76 10.516 16.857 2.408 1.00 0.00 H new ATOM 0 HG2 GLN A 76 12.292 16.638 0.629 1.00 0.00 H new ATOM 0 HG3 GLN A 76 13.428 16.165 1.877 1.00 0.00 H new ATOM 0 HE21 GLN A 76 11.825 14.429 3.520 1.00 0.00 H new ATOM 0 HE22 GLN A 76 11.340 13.044 2.537 1.00 0.00 H new ATOM 1224 N LEU A 77 12.683 19.427 0.636 1.00 0.00 N ATOM 1225 CA LEU A 77 12.657 20.153 -0.635 1.00 0.00 C ATOM 1226 C LEU A 77 12.880 19.209 -1.826 1.00 0.00 C ATOM 1227 O LEU A 77 13.642 18.245 -1.749 1.00 0.00 O ATOM 1228 CB LEU A 77 13.719 21.271 -0.557 1.00 0.00 C ATOM 1229 CG LEU A 77 13.867 22.162 -1.809 1.00 0.00 C ATOM 1230 CD1 LEU A 77 12.593 22.956 -2.108 1.00 0.00 C ATOM 1231 CD2 LEU A 77 15.041 23.118 -1.595 1.00 0.00 C ATOM 0 H LEU A 77 13.614 19.085 0.874 1.00 0.00 H new ATOM 0 HA LEU A 77 11.676 20.599 -0.800 1.00 0.00 H new ATOM 0 HB2 LEU A 77 13.480 21.911 0.292 1.00 0.00 H new ATOM 0 HB3 LEU A 77 14.685 20.811 -0.348 1.00 0.00 H new ATOM 0 HG LEU A 77 14.049 21.517 -2.669 1.00 0.00 H new ATOM 0 HD11 LEU A 77 12.746 23.568 -2.997 1.00 0.00 H new ATOM 0 HD12 LEU A 77 11.766 22.267 -2.279 1.00 0.00 H new ATOM 0 HD13 LEU A 77 12.358 23.600 -1.261 1.00 0.00 H new ATOM 0 HD21 LEU A 77 15.157 23.754 -2.473 1.00 0.00 H new ATOM 0 HD22 LEU A 77 14.850 23.739 -0.720 1.00 0.00 H new ATOM 0 HD23 LEU A 77 15.954 22.544 -1.440 1.00 0.00 H new ATOM 1243 N TYR A 78 12.239 19.534 -2.947 1.00 0.00 N ATOM 1244 CA TYR A 78 12.253 18.795 -4.213 1.00 0.00 C ATOM 1245 C TYR A 78 12.100 19.782 -5.382 1.00 0.00 C ATOM 1246 O TYR A 78 11.311 20.726 -5.287 1.00 0.00 O ATOM 1247 CB TYR A 78 11.102 17.781 -4.158 1.00 0.00 C ATOM 1248 CG TYR A 78 11.065 16.717 -5.238 1.00 0.00 C ATOM 1249 CD1 TYR A 78 10.586 17.014 -6.530 1.00 0.00 C ATOM 1250 CD2 TYR A 78 11.434 15.396 -4.916 1.00 0.00 C ATOM 1251 CE1 TYR A 78 10.485 15.991 -7.497 1.00 0.00 C ATOM 1252 CE2 TYR A 78 11.339 14.374 -5.876 1.00 0.00 C ATOM 1253 CZ TYR A 78 10.863 14.668 -7.170 1.00 0.00 C ATOM 1254 OH TYR A 78 10.741 13.663 -8.083 1.00 0.00 O ATOM 0 H TYR A 78 11.660 20.372 -3.001 1.00 0.00 H new ATOM 0 HA TYR A 78 13.193 18.264 -4.365 1.00 0.00 H new ATOM 0 HB2 TYR A 78 11.139 17.280 -3.191 1.00 0.00 H new ATOM 0 HB3 TYR A 78 10.163 18.333 -4.195 1.00 0.00 H new ATOM 0 HD1 TYR A 78 10.296 18.024 -6.780 1.00 0.00 H new ATOM 0 HD2 TYR A 78 11.793 15.167 -3.923 1.00 0.00 H new ATOM 0 HE1 TYR A 78 10.119 16.219 -8.487 1.00 0.00 H new ATOM 0 HE2 TYR A 78 11.630 13.365 -5.623 1.00 0.00 H new ATOM 0 HH TYR A 78 11.049 12.821 -7.686 1.00 0.00 H new ATOM 1264 N ILE A 79 12.854 19.618 -6.472 1.00 0.00 N ATOM 1265 CA ILE A 79 12.868 20.560 -7.603 1.00 0.00 C ATOM 1266 C ILE A 79 12.994 19.826 -8.951 1.00 0.00 C ATOM 1267 O ILE A 79 13.953 19.090 -9.175 1.00 0.00 O ATOM 1268 CB ILE A 79 13.980 21.639 -7.466 1.00 0.00 C ATOM 1269 CG1 ILE A 79 14.086 22.258 -6.047 1.00 0.00 C ATOM 1270 CG2 ILE A 79 13.703 22.737 -8.515 1.00 0.00 C ATOM 1271 CD1 ILE A 79 15.170 23.333 -5.886 1.00 0.00 C ATOM 0 H ILE A 79 13.479 18.822 -6.599 1.00 0.00 H new ATOM 0 HA ILE A 79 11.908 21.076 -7.580 1.00 0.00 H new ATOM 0 HB ILE A 79 14.941 21.154 -7.637 1.00 0.00 H new ATOM 0 HG12 ILE A 79 13.122 22.694 -5.784 1.00 0.00 H new ATOM 0 HG13 ILE A 79 14.280 21.458 -5.332 1.00 0.00 H new ATOM 0 HG21 ILE A 79 14.468 23.510 -8.443 1.00 0.00 H new ATOM 0 HG22 ILE A 79 13.721 22.300 -9.513 1.00 0.00 H new ATOM 0 HG23 ILE A 79 12.723 23.178 -8.330 1.00 0.00 H new ATOM 0 HD11 ILE A 79 15.165 23.704 -4.861 1.00 0.00 H new ATOM 0 HD12 ILE A 79 16.146 22.903 -6.112 1.00 0.00 H new ATOM 0 HD13 ILE A 79 14.970 24.157 -6.571 1.00 0.00 H new ATOM 1283 N ASP A 80 12.021 20.048 -9.845 1.00 0.00 N ATOM 1284 CA ASP A 80 12.026 19.651 -11.268 1.00 0.00 C ATOM 1285 C ASP A 80 12.396 18.171 -11.541 1.00 0.00 C ATOM 1286 O ASP A 80 13.021 17.841 -12.551 1.00 0.00 O ATOM 1287 CB ASP A 80 12.872 20.668 -12.060 1.00 0.00 C ATOM 1288 CG ASP A 80 12.690 20.567 -13.585 1.00 0.00 C ATOM 1289 OD1 ASP A 80 11.525 20.585 -14.054 1.00 0.00 O ATOM 1290 OD2 ASP A 80 13.712 20.512 -14.313 1.00 0.00 O ATOM 0 H ASP A 80 11.163 20.534 -9.586 1.00 0.00 H new ATOM 0 HA ASP A 80 10.997 19.686 -11.627 1.00 0.00 H new ATOM 0 HB2 ASP A 80 12.610 21.676 -11.737 1.00 0.00 H new ATOM 0 HB3 ASP A 80 13.924 20.519 -11.818 1.00 0.00 H new ATOM 1295 N GLY A 81 12.011 17.271 -10.627 1.00 0.00 N ATOM 1296 CA GLY A 81 12.226 15.819 -10.735 1.00 0.00 C ATOM 1297 C GLY A 81 13.387 15.265 -9.898 1.00 0.00 C ATOM 1298 O GLY A 81 13.603 14.053 -9.920 1.00 0.00 O ATOM 0 H GLY A 81 11.529 17.538 -9.769 1.00 0.00 H new ATOM 0 HA2 GLY A 81 11.310 15.309 -10.438 1.00 0.00 H new ATOM 0 HA3 GLY A 81 12.403 15.571 -11.782 1.00 0.00 H new ATOM 1302 N GLU A 82 14.116 16.109 -9.161 1.00 0.00 N ATOM 1303 CA GLU A 82 15.157 15.696 -8.206 1.00 0.00 C ATOM 1304 C GLU A 82 14.787 16.123 -6.780 1.00 0.00 C ATOM 1305 O GLU A 82 14.302 17.236 -6.564 1.00 0.00 O ATOM 1306 CB GLU A 82 16.517 16.314 -8.579 1.00 0.00 C ATOM 1307 CG GLU A 82 17.037 15.834 -9.939 1.00 0.00 C ATOM 1308 CD GLU A 82 18.490 16.272 -10.157 1.00 0.00 C ATOM 1309 OE1 GLU A 82 18.733 17.457 -10.495 1.00 0.00 O ATOM 1310 OE2 GLU A 82 19.407 15.429 -10.004 1.00 0.00 O ATOM 0 H GLU A 82 13.999 17.121 -9.211 1.00 0.00 H new ATOM 0 HA GLU A 82 15.231 14.609 -8.250 1.00 0.00 H new ATOM 0 HB2 GLU A 82 16.425 17.400 -8.593 1.00 0.00 H new ATOM 0 HB3 GLU A 82 17.247 16.066 -7.808 1.00 0.00 H new ATOM 0 HG2 GLU A 82 16.968 14.748 -9.996 1.00 0.00 H new ATOM 0 HG3 GLU A 82 16.409 16.235 -10.735 1.00 0.00 H new ATOM 1317 N PHE A 83 15.064 15.276 -5.781 1.00 0.00 N ATOM 1318 CA PHE A 83 14.943 15.676 -4.380 1.00 0.00 C ATOM 1319 C PHE A 83 16.218 16.397 -3.909 1.00 0.00 C ATOM 1320 O PHE A 83 17.332 16.051 -4.323 1.00 0.00 O ATOM 1321 CB PHE A 83 14.559 14.475 -3.503 1.00 0.00 C ATOM 1322 CG PHE A 83 15.715 13.631 -3.008 1.00 0.00 C ATOM 1323 CD1 PHE A 83 16.235 12.592 -3.802 1.00 0.00 C ATOM 1324 CD2 PHE A 83 16.277 13.904 -1.748 1.00 0.00 C ATOM 1325 CE1 PHE A 83 17.332 11.843 -3.339 1.00 0.00 C ATOM 1326 CE2 PHE A 83 17.375 13.160 -1.290 1.00 0.00 C ATOM 1327 CZ PHE A 83 17.908 12.134 -2.089 1.00 0.00 C ATOM 0 H PHE A 83 15.372 14.314 -5.919 1.00 0.00 H new ATOM 0 HA PHE A 83 14.131 16.396 -4.280 1.00 0.00 H new ATOM 0 HB2 PHE A 83 14.004 14.841 -2.639 1.00 0.00 H new ATOM 0 HB3 PHE A 83 13.882 13.836 -4.070 1.00 0.00 H new ATOM 0 HD1 PHE A 83 15.794 12.371 -4.763 1.00 0.00 H new ATOM 0 HD2 PHE A 83 15.863 14.688 -1.132 1.00 0.00 H new ATOM 0 HE1 PHE A 83 17.733 11.043 -3.944 1.00 0.00 H new ATOM 0 HE2 PHE A 83 17.810 13.375 -0.325 1.00 0.00 H new ATOM 0 HZ PHE A 83 18.761 11.568 -1.743 1.00 0.00 H new ATOM 1337 N PHE A 84 16.055 17.401 -3.043 1.00 0.00 N ATOM 1338 CA PHE A 84 17.157 18.190 -2.488 1.00 0.00 C ATOM 1339 C PHE A 84 17.545 17.734 -1.068 1.00 0.00 C ATOM 1340 O PHE A 84 18.717 17.801 -0.699 1.00 0.00 O ATOM 1341 CB PHE A 84 16.767 19.677 -2.512 1.00 0.00 C ATOM 1342 CG PHE A 84 17.953 20.580 -2.777 1.00 0.00 C ATOM 1343 CD1 PHE A 84 18.815 20.952 -1.729 1.00 0.00 C ATOM 1344 CD2 PHE A 84 18.231 20.996 -4.093 1.00 0.00 C ATOM 1345 CE1 PHE A 84 19.970 21.703 -2.004 1.00 0.00 C ATOM 1346 CE2 PHE A 84 19.376 21.765 -4.363 1.00 0.00 C ATOM 1347 CZ PHE A 84 20.252 22.109 -3.321 1.00 0.00 C ATOM 0 H PHE A 84 15.139 17.693 -2.703 1.00 0.00 H new ATOM 0 HA PHE A 84 18.041 18.035 -3.106 1.00 0.00 H new ATOM 0 HB2 PHE A 84 16.011 19.839 -3.280 1.00 0.00 H new ATOM 0 HB3 PHE A 84 16.314 19.947 -1.558 1.00 0.00 H new ATOM 0 HD1 PHE A 84 18.589 20.660 -0.714 1.00 0.00 H new ATOM 0 HD2 PHE A 84 17.563 20.724 -4.897 1.00 0.00 H new ATOM 0 HE1 PHE A 84 20.643 21.969 -1.202 1.00 0.00 H new ATOM 0 HE2 PHE A 84 19.582 22.091 -5.372 1.00 0.00 H new ATOM 0 HZ PHE A 84 21.141 22.685 -3.530 1.00 0.00 H new ATOM 1357 N GLY A 85 16.570 17.242 -0.287 1.00 0.00 N ATOM 1358 CA GLY A 85 16.753 16.761 1.089 1.00 0.00 C ATOM 1359 C GLY A 85 16.137 17.709 2.117 1.00 0.00 C ATOM 1360 O GLY A 85 15.143 18.378 1.831 1.00 0.00 O ATOM 0 H GLY A 85 15.604 17.166 -0.607 1.00 0.00 H new ATOM 0 HA2 GLY A 85 16.301 15.774 1.190 1.00 0.00 H new ATOM 0 HA3 GLY A 85 17.817 16.647 1.294 1.00 0.00 H new ATOM 1364 N GLY A 86 16.702 17.737 3.328 1.00 0.00 N ATOM 1365 CA GLY A 86 16.257 18.609 4.428 1.00 0.00 C ATOM 1366 C GLY A 86 16.746 20.050 4.281 1.00 0.00 C ATOM 1367 O GLY A 86 17.699 20.323 3.552 1.00 0.00 O ATOM 0 H GLY A 86 17.495 17.146 3.579 1.00 0.00 H new ATOM 0 HA2 GLY A 86 15.168 18.603 4.472 1.00 0.00 H new ATOM 0 HA3 GLY A 86 16.616 18.204 5.374 1.00 0.00 H new ATOM 1371 N CYS A 87 16.116 20.978 5.012 1.00 0.00 N ATOM 1372 CA CYS A 87 16.366 22.427 4.911 1.00 0.00 C ATOM 1373 C CYS A 87 17.834 22.833 5.135 1.00 0.00 C ATOM 1374 O CYS A 87 18.342 23.725 4.455 1.00 0.00 O ATOM 1375 CB CYS A 87 15.444 23.137 5.916 1.00 0.00 C ATOM 1376 SG CYS A 87 13.705 22.833 5.473 1.00 0.00 S ATOM 0 H CYS A 87 15.405 20.742 5.704 1.00 0.00 H new ATOM 0 HA CYS A 87 16.149 22.731 3.887 1.00 0.00 H new ATOM 0 HB2 CYS A 87 15.641 22.774 6.925 1.00 0.00 H new ATOM 0 HB3 CYS A 87 15.647 24.208 5.917 1.00 0.00 H new ATOM 0 HG CYS A 87 12.929 23.433 6.326 1.00 0.00 H new ATOM 1382 N ASP A 88 18.539 22.149 6.037 1.00 0.00 N ATOM 1383 CA ASP A 88 19.965 22.379 6.299 1.00 0.00 C ATOM 1384 C ASP A 88 20.825 22.165 5.041 1.00 0.00 C ATOM 1385 O ASP A 88 21.707 22.974 4.753 1.00 0.00 O ATOM 1386 CB ASP A 88 20.418 21.461 7.440 1.00 0.00 C ATOM 1387 CG ASP A 88 21.881 21.719 7.834 1.00 0.00 C ATOM 1388 OD1 ASP A 88 22.152 22.753 8.489 1.00 0.00 O ATOM 1389 OD2 ASP A 88 22.748 20.870 7.513 1.00 0.00 O ATOM 0 H ASP A 88 18.134 21.411 6.614 1.00 0.00 H new ATOM 0 HA ASP A 88 20.101 23.420 6.592 1.00 0.00 H new ATOM 0 HB2 ASP A 88 19.776 21.615 8.307 1.00 0.00 H new ATOM 0 HB3 ASP A 88 20.301 20.420 7.137 1.00 0.00 H new ATOM 1394 N ILE A 89 20.512 21.138 4.237 1.00 0.00 N ATOM 1395 CA ILE A 89 21.193 20.873 2.955 1.00 0.00 C ATOM 1396 C ILE A 89 20.949 22.037 1.985 1.00 0.00 C ATOM 1397 O ILE A 89 21.905 22.515 1.369 1.00 0.00 O ATOM 1398 CB ILE A 89 20.769 19.501 2.364 1.00 0.00 C ATOM 1399 CG1 ILE A 89 21.132 18.368 3.355 1.00 0.00 C ATOM 1400 CG2 ILE A 89 21.438 19.264 0.996 1.00 0.00 C ATOM 1401 CD1 ILE A 89 20.694 16.965 2.924 1.00 0.00 C ATOM 0 H ILE A 89 19.778 20.464 4.456 1.00 0.00 H new ATOM 0 HA ILE A 89 22.267 20.807 3.128 1.00 0.00 H new ATOM 0 HB ILE A 89 19.690 19.503 2.212 1.00 0.00 H new ATOM 0 HG12 ILE A 89 22.212 18.366 3.501 1.00 0.00 H new ATOM 0 HG13 ILE A 89 20.680 18.592 4.321 1.00 0.00 H new ATOM 0 HG21 ILE A 89 21.126 18.297 0.601 1.00 0.00 H new ATOM 0 HG22 ILE A 89 21.140 20.052 0.304 1.00 0.00 H new ATOM 0 HG23 ILE A 89 22.522 19.276 1.114 1.00 0.00 H new ATOM 0 HD11 ILE A 89 20.993 16.241 3.682 1.00 0.00 H new ATOM 0 HD12 ILE A 89 19.610 16.942 2.808 1.00 0.00 H new ATOM 0 HD13 ILE A 89 21.166 16.712 1.975 1.00 0.00 H new ATOM 1413 N THR A 90 19.714 22.560 1.924 1.00 0.00 N ATOM 1414 CA THR A 90 19.344 23.734 1.112 1.00 0.00 C ATOM 1415 C THR A 90 20.106 24.972 1.562 1.00 0.00 C ATOM 1416 O THR A 90 20.672 25.668 0.726 1.00 0.00 O ATOM 1417 CB THR A 90 17.840 23.993 1.189 1.00 0.00 C ATOM 1418 OG1 THR A 90 17.167 22.782 0.939 1.00 0.00 O ATOM 1419 CG2 THR A 90 17.390 25.049 0.178 1.00 0.00 C ATOM 0 H THR A 90 18.929 22.173 2.447 1.00 0.00 H new ATOM 0 HA THR A 90 19.612 23.518 0.078 1.00 0.00 H new ATOM 0 HB THR A 90 17.603 24.372 2.183 1.00 0.00 H new ATOM 0 HG1 THR A 90 17.620 22.299 0.217 1.00 0.00 H new ATOM 0 HG21 THR A 90 16.314 25.202 0.267 1.00 0.00 H new ATOM 0 HG22 THR A 90 17.908 25.987 0.377 1.00 0.00 H new ATOM 0 HG23 THR A 90 17.626 24.711 -0.831 1.00 0.00 H new ATOM 1427 N VAL A 91 20.152 25.232 2.868 1.00 0.00 N ATOM 1428 CA VAL A 91 20.861 26.387 3.443 1.00 0.00 C ATOM 1429 C VAL A 91 22.372 26.321 3.148 1.00 0.00 C ATOM 1430 O VAL A 91 22.952 27.323 2.730 1.00 0.00 O ATOM 1431 CB VAL A 91 20.579 26.512 4.958 1.00 0.00 C ATOM 1432 CG1 VAL A 91 21.507 27.512 5.673 1.00 0.00 C ATOM 1433 CG2 VAL A 91 19.126 26.969 5.194 1.00 0.00 C ATOM 0 H VAL A 91 19.696 24.645 3.567 1.00 0.00 H new ATOM 0 HA VAL A 91 20.479 27.288 2.963 1.00 0.00 H new ATOM 0 HB VAL A 91 20.760 25.521 5.374 1.00 0.00 H new ATOM 0 HG11 VAL A 91 21.254 27.550 6.733 1.00 0.00 H new ATOM 0 HG12 VAL A 91 22.543 27.193 5.559 1.00 0.00 H new ATOM 0 HG13 VAL A 91 21.382 28.502 5.235 1.00 0.00 H new ATOM 0 HG21 VAL A 91 18.940 27.053 6.265 1.00 0.00 H new ATOM 0 HG22 VAL A 91 18.968 27.938 4.721 1.00 0.00 H new ATOM 0 HG23 VAL A 91 18.441 26.239 4.763 1.00 0.00 H new ATOM 1443 N GLU A 92 23.013 25.157 3.312 1.00 0.00 N ATOM 1444 CA GLU A 92 24.440 24.991 3.009 1.00 0.00 C ATOM 1445 C GLU A 92 24.733 25.062 1.496 1.00 0.00 C ATOM 1446 O GLU A 92 25.733 25.663 1.094 1.00 0.00 O ATOM 1447 CB GLU A 92 24.965 23.675 3.606 1.00 0.00 C ATOM 1448 CG GLU A 92 25.001 23.662 5.145 1.00 0.00 C ATOM 1449 CD GLU A 92 25.947 24.720 5.732 1.00 0.00 C ATOM 1450 OE1 GLU A 92 27.183 24.607 5.543 1.00 0.00 O ATOM 1451 OE2 GLU A 92 25.465 25.665 6.402 1.00 0.00 O ATOM 0 H GLU A 92 22.561 24.310 3.656 1.00 0.00 H new ATOM 0 HA GLU A 92 24.967 25.825 3.471 1.00 0.00 H new ATOM 0 HB2 GLU A 92 24.338 22.854 3.260 1.00 0.00 H new ATOM 0 HB3 GLU A 92 25.970 23.490 3.227 1.00 0.00 H new ATOM 0 HG2 GLU A 92 23.994 23.830 5.528 1.00 0.00 H new ATOM 0 HG3 GLU A 92 25.312 22.675 5.487 1.00 0.00 H new ATOM 1458 N ALA A 93 23.854 24.521 0.643 1.00 0.00 N ATOM 1459 CA ALA A 93 23.956 24.633 -0.814 1.00 0.00 C ATOM 1460 C ALA A 93 23.761 26.073 -1.323 1.00 0.00 C ATOM 1461 O ALA A 93 24.334 26.450 -2.346 1.00 0.00 O ATOM 1462 CB ALA A 93 22.942 23.674 -1.442 1.00 0.00 C ATOM 0 H ALA A 93 23.042 23.986 0.952 1.00 0.00 H new ATOM 0 HA ALA A 93 24.968 24.359 -1.113 1.00 0.00 H new ATOM 0 HB1 ALA A 93 23.001 23.742 -2.528 1.00 0.00 H new ATOM 0 HB2 ALA A 93 23.164 22.654 -1.129 1.00 0.00 H new ATOM 0 HB3 ALA A 93 21.937 23.943 -1.116 1.00 0.00 H new ATOM 1468 N TYR A 94 22.974 26.894 -0.626 1.00 0.00 N ATOM 1469 CA TYR A 94 22.839 28.326 -0.910 1.00 0.00 C ATOM 1470 C TYR A 94 24.108 29.118 -0.536 1.00 0.00 C ATOM 1471 O TYR A 94 24.474 30.055 -1.246 1.00 0.00 O ATOM 1472 CB TYR A 94 21.594 28.856 -0.186 1.00 0.00 C ATOM 1473 CG TYR A 94 21.229 30.293 -0.507 1.00 0.00 C ATOM 1474 CD1 TYR A 94 20.908 30.664 -1.830 1.00 0.00 C ATOM 1475 CD2 TYR A 94 21.188 31.257 0.520 1.00 0.00 C ATOM 1476 CE1 TYR A 94 20.542 31.990 -2.124 1.00 0.00 C ATOM 1477 CE2 TYR A 94 20.820 32.585 0.231 1.00 0.00 C ATOM 1478 CZ TYR A 94 20.494 32.956 -1.095 1.00 0.00 C ATOM 1479 OH TYR A 94 20.135 34.240 -1.373 1.00 0.00 O ATOM 0 H TYR A 94 22.405 26.581 0.161 1.00 0.00 H new ATOM 0 HA TYR A 94 22.716 28.465 -1.984 1.00 0.00 H new ATOM 0 HB2 TYR A 94 20.747 28.217 -0.436 1.00 0.00 H new ATOM 0 HB3 TYR A 94 21.752 28.769 0.889 1.00 0.00 H new ATOM 0 HD1 TYR A 94 20.943 29.928 -2.619 1.00 0.00 H new ATOM 0 HD2 TYR A 94 21.440 30.976 1.532 1.00 0.00 H new ATOM 0 HE1 TYR A 94 20.297 32.270 -3.138 1.00 0.00 H new ATOM 0 HE2 TYR A 94 20.787 33.320 1.021 1.00 0.00 H new ATOM 0 HH TYR A 94 20.154 34.771 -0.549 1.00 0.00 H new ATOM 1489 N LYS A 95 24.823 28.710 0.523 1.00 0.00 N ATOM 1490 CA LYS A 95 26.127 29.289 0.899 1.00 0.00 C ATOM 1491 C LYS A 95 27.253 28.940 -0.095 1.00 0.00 C ATOM 1492 O LYS A 95 28.069 29.803 -0.419 1.00 0.00 O ATOM 1493 CB LYS A 95 26.523 28.832 2.312 1.00 0.00 C ATOM 1494 CG LYS A 95 25.635 29.407 3.426 1.00 0.00 C ATOM 1495 CD LYS A 95 26.009 28.745 4.756 1.00 0.00 C ATOM 1496 CE LYS A 95 25.047 29.145 5.881 1.00 0.00 C ATOM 1497 NZ LYS A 95 25.338 28.378 7.122 1.00 0.00 N ATOM 0 H LYS A 95 24.514 27.965 1.148 1.00 0.00 H new ATOM 0 HA LYS A 95 26.004 30.372 0.875 1.00 0.00 H new ATOM 0 HB2 LYS A 95 26.483 27.744 2.355 1.00 0.00 H new ATOM 0 HB3 LYS A 95 27.557 29.121 2.500 1.00 0.00 H new ATOM 0 HG2 LYS A 95 25.767 30.487 3.493 1.00 0.00 H new ATOM 0 HG3 LYS A 95 24.584 29.228 3.199 1.00 0.00 H new ATOM 0 HD2 LYS A 95 26.000 27.661 4.638 1.00 0.00 H new ATOM 0 HD3 LYS A 95 27.026 29.027 5.029 1.00 0.00 H new ATOM 0 HE2 LYS A 95 25.136 30.213 6.079 1.00 0.00 H new ATOM 0 HE3 LYS A 95 24.019 28.963 5.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 24.664 28.652 7.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 25.247 27.360 6.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 26.307 28.585 7.439 1.00 0.00 H new ATOM 1511 N SER A 96 27.311 27.706 -0.605 1.00 0.00 N ATOM 1512 CA SER A 96 28.326 27.281 -1.585 1.00 0.00 C ATOM 1513 C SER A 96 27.988 27.700 -3.031 1.00 0.00 C ATOM 1514 O SER A 96 28.869 27.710 -3.896 1.00 0.00 O ATOM 1515 CB SER A 96 28.490 25.759 -1.504 1.00 0.00 C ATOM 1516 OG SER A 96 27.256 25.111 -1.740 1.00 0.00 O ATOM 0 H SER A 96 26.654 26.968 -0.351 1.00 0.00 H new ATOM 0 HA SER A 96 29.258 27.785 -1.330 1.00 0.00 H new ATOM 0 HB2 SER A 96 29.226 25.428 -2.236 1.00 0.00 H new ATOM 0 HB3 SER A 96 28.871 25.481 -0.521 1.00 0.00 H new ATOM 0 HG SER A 96 27.387 24.140 -1.717 1.00 0.00 H new ATOM 1522 N GLY A 97 26.720 28.050 -3.304 1.00 0.00 N ATOM 1523 CA GLY A 97 26.210 28.434 -4.629 1.00 0.00 C ATOM 1524 C GLY A 97 25.619 27.263 -5.421 1.00 0.00 C ATOM 1525 O GLY A 97 25.102 27.463 -6.519 1.00 0.00 O ATOM 0 H GLY A 97 25.998 28.074 -2.584 1.00 0.00 H new ATOM 0 HA2 GLY A 97 25.446 29.202 -4.507 1.00 0.00 H new ATOM 0 HA3 GLY A 97 27.020 28.880 -5.206 1.00 0.00 H new ATOM 1529 N GLU A 98 25.639 26.055 -4.861 1.00 0.00 N ATOM 1530 CA GLU A 98 25.169 24.824 -5.503 1.00 0.00 C ATOM 1531 C GLU A 98 23.651 24.846 -5.742 1.00 0.00 C ATOM 1532 O GLU A 98 23.197 24.415 -6.802 1.00 0.00 O ATOM 1533 CB GLU A 98 25.569 23.619 -4.633 1.00 0.00 C ATOM 1534 CG GLU A 98 27.092 23.468 -4.516 1.00 0.00 C ATOM 1535 CD GLU A 98 27.459 22.330 -3.553 1.00 0.00 C ATOM 1536 OE1 GLU A 98 27.545 21.158 -3.994 1.00 0.00 O ATOM 1537 OE2 GLU A 98 27.672 22.614 -2.350 1.00 0.00 O ATOM 0 H GLU A 98 25.994 25.899 -3.918 1.00 0.00 H new ATOM 0 HA GLU A 98 25.640 24.742 -6.483 1.00 0.00 H new ATOM 0 HB2 GLU A 98 25.139 23.733 -3.638 1.00 0.00 H new ATOM 0 HB3 GLU A 98 25.147 22.709 -5.060 1.00 0.00 H new ATOM 0 HG2 GLU A 98 27.518 23.269 -5.499 1.00 0.00 H new ATOM 0 HG3 GLU A 98 27.528 24.403 -4.163 1.00 0.00 H new ATOM 1544 N LEU A 99 22.869 25.423 -4.815 1.00 0.00 N ATOM 1545 CA LEU A 99 21.426 25.640 -4.997 1.00 0.00 C ATOM 1546 C LEU A 99 21.153 26.604 -6.155 1.00 0.00 C ATOM 1547 O LEU A 99 20.249 26.355 -6.947 1.00 0.00 O ATOM 1548 CB LEU A 99 20.814 26.170 -3.678 1.00 0.00 C ATOM 1549 CG LEU A 99 19.289 26.428 -3.736 1.00 0.00 C ATOM 1550 CD1 LEU A 99 18.484 25.134 -3.924 1.00 0.00 C ATOM 1551 CD2 LEU A 99 18.847 27.134 -2.451 1.00 0.00 C ATOM 0 H LEU A 99 23.221 25.753 -3.916 1.00 0.00 H new ATOM 0 HA LEU A 99 20.956 24.690 -5.250 1.00 0.00 H new ATOM 0 HB2 LEU A 99 21.018 25.452 -2.883 1.00 0.00 H new ATOM 0 HB3 LEU A 99 21.317 27.098 -3.406 1.00 0.00 H new ATOM 0 HG LEU A 99 19.091 27.058 -4.603 1.00 0.00 H new ATOM 0 HD11 LEU A 99 17.420 25.369 -3.958 1.00 0.00 H new ATOM 0 HD12 LEU A 99 18.780 24.654 -4.857 1.00 0.00 H new ATOM 0 HD13 LEU A 99 18.680 24.459 -3.091 1.00 0.00 H new ATOM 0 HD21 LEU A 99 17.773 27.318 -2.488 1.00 0.00 H new ATOM 0 HD22 LEU A 99 19.078 26.504 -1.592 1.00 0.00 H new ATOM 0 HD23 LEU A 99 19.374 28.083 -2.358 1.00 0.00 H new ATOM 1563 N GLN A 100 21.949 27.671 -6.286 1.00 0.00 N ATOM 1564 CA GLN A 100 21.815 28.638 -7.383 1.00 0.00 C ATOM 1565 C GLN A 100 22.003 27.932 -8.732 1.00 0.00 C ATOM 1566 O GLN A 100 21.179 28.106 -9.630 1.00 0.00 O ATOM 1567 CB GLN A 100 22.801 29.815 -7.229 1.00 0.00 C ATOM 1568 CG GLN A 100 22.796 30.471 -5.833 1.00 0.00 C ATOM 1569 CD GLN A 100 23.531 31.815 -5.812 1.00 0.00 C ATOM 1570 OE1 GLN A 100 22.966 32.860 -5.510 1.00 0.00 O ATOM 1571 NE2 GLN A 100 24.808 31.860 -6.143 1.00 0.00 N ATOM 0 H GLN A 100 22.704 27.889 -5.636 1.00 0.00 H new ATOM 0 HA GLN A 100 20.810 29.058 -7.345 1.00 0.00 H new ATOM 0 HB2 GLN A 100 23.808 29.460 -7.447 1.00 0.00 H new ATOM 0 HB3 GLN A 100 22.562 30.573 -7.974 1.00 0.00 H new ATOM 0 HG2 GLN A 100 21.766 30.619 -5.509 1.00 0.00 H new ATOM 0 HG3 GLN A 100 23.262 29.795 -5.116 1.00 0.00 H new ATOM 0 HE21 GLN A 100 25.299 31.003 -6.398 1.00 0.00 H new ATOM 0 HE22 GLN A 100 25.304 32.752 -6.144 1.00 0.00 H new ATOM 1580 N GLU A 101 23.017 27.060 -8.837 1.00 0.00 N ATOM 1581 CA GLU A 101 23.228 26.221 -10.017 1.00 0.00 C ATOM 1582 C GLU A 101 22.054 25.260 -10.268 1.00 0.00 C ATOM 1583 O GLU A 101 21.615 25.148 -11.412 1.00 0.00 O ATOM 1584 CB GLU A 101 24.550 25.441 -9.912 1.00 0.00 C ATOM 1585 CG GLU A 101 25.783 26.350 -9.974 1.00 0.00 C ATOM 1586 CD GLU A 101 27.077 25.524 -10.016 1.00 0.00 C ATOM 1587 OE1 GLU A 101 27.581 25.119 -8.942 1.00 0.00 O ATOM 1588 OE2 GLU A 101 27.599 25.274 -11.130 1.00 0.00 O ATOM 0 H GLU A 101 23.712 26.920 -8.104 1.00 0.00 H new ATOM 0 HA GLU A 101 23.286 26.893 -10.873 1.00 0.00 H new ATOM 0 HB2 GLU A 101 24.563 24.882 -8.976 1.00 0.00 H new ATOM 0 HB3 GLU A 101 24.601 24.711 -10.720 1.00 0.00 H new ATOM 0 HG2 GLU A 101 25.725 26.987 -10.857 1.00 0.00 H new ATOM 0 HG3 GLU A 101 25.797 27.009 -9.106 1.00 0.00 H new ATOM 1595 N GLN A 102 21.512 24.585 -9.240 1.00 0.00 N ATOM 1596 CA GLN A 102 20.380 23.667 -9.445 1.00 0.00 C ATOM 1597 C GLN A 102 19.085 24.406 -9.810 1.00 0.00 C ATOM 1598 O GLN A 102 18.339 23.924 -10.656 1.00 0.00 O ATOM 1599 CB GLN A 102 20.107 22.753 -8.237 1.00 0.00 C ATOM 1600 CG GLN A 102 21.267 21.882 -7.714 1.00 0.00 C ATOM 1601 CD GLN A 102 22.304 21.496 -8.768 1.00 0.00 C ATOM 1602 OE1 GLN A 102 22.048 20.709 -9.674 1.00 0.00 O ATOM 1603 NE2 GLN A 102 23.493 22.062 -8.711 1.00 0.00 N ATOM 0 H GLN A 102 21.833 24.656 -8.274 1.00 0.00 H new ATOM 0 HA GLN A 102 20.688 23.042 -10.284 1.00 0.00 H new ATOM 0 HB2 GLN A 102 19.763 23.380 -7.415 1.00 0.00 H new ATOM 0 HB3 GLN A 102 19.283 22.090 -8.499 1.00 0.00 H new ATOM 0 HG2 GLN A 102 21.770 22.417 -6.909 1.00 0.00 H new ATOM 0 HG3 GLN A 102 20.853 20.971 -7.282 1.00 0.00 H new ATOM 0 HE21 GLN A 102 23.711 22.717 -7.960 1.00 0.00 H new ATOM 0 HE22 GLN A 102 24.195 21.845 -9.418 1.00 0.00 H new ATOM 1612 N VAL A 103 18.811 25.564 -9.204 1.00 0.00 N ATOM 1613 CA VAL A 103 17.617 26.372 -9.511 1.00 0.00 C ATOM 1614 C VAL A 103 17.719 26.974 -10.919 1.00 0.00 C ATOM 1615 O VAL A 103 16.729 26.953 -11.646 1.00 0.00 O ATOM 1616 CB VAL A 103 17.376 27.458 -8.436 1.00 0.00 C ATOM 1617 CG1 VAL A 103 16.296 28.483 -8.828 1.00 0.00 C ATOM 1618 CG2 VAL A 103 16.929 26.782 -7.127 1.00 0.00 C ATOM 0 H VAL A 103 19.408 25.972 -8.485 1.00 0.00 H new ATOM 0 HA VAL A 103 16.748 25.714 -9.494 1.00 0.00 H new ATOM 0 HB VAL A 103 18.319 27.994 -8.324 1.00 0.00 H new ATOM 0 HG11 VAL A 103 16.180 29.214 -8.028 1.00 0.00 H new ATOM 0 HG12 VAL A 103 16.594 28.993 -9.744 1.00 0.00 H new ATOM 0 HG13 VAL A 103 15.348 27.969 -8.990 1.00 0.00 H new ATOM 0 HG21 VAL A 103 16.757 27.542 -6.365 1.00 0.00 H new ATOM 0 HG22 VAL A 103 16.007 26.227 -7.300 1.00 0.00 H new ATOM 0 HG23 VAL A 103 17.706 26.097 -6.788 1.00 0.00 H new ATOM 1628 N GLU A 104 18.901 27.434 -11.347 1.00 0.00 N ATOM 1629 CA GLU A 104 19.133 27.840 -12.736 1.00 0.00 C ATOM 1630 C GLU A 104 18.913 26.666 -13.708 1.00 0.00 C ATOM 1631 O GLU A 104 18.185 26.805 -14.693 1.00 0.00 O ATOM 1632 CB GLU A 104 20.544 28.438 -12.872 1.00 0.00 C ATOM 1633 CG GLU A 104 20.807 28.996 -14.277 1.00 0.00 C ATOM 1634 CD GLU A 104 22.183 29.672 -14.352 1.00 0.00 C ATOM 1635 OE1 GLU A 104 22.275 30.895 -14.082 1.00 0.00 O ATOM 1636 OE2 GLU A 104 23.181 28.993 -14.692 1.00 0.00 O ATOM 0 H GLU A 104 19.718 27.534 -10.744 1.00 0.00 H new ATOM 0 HA GLU A 104 18.407 28.607 -13.005 1.00 0.00 H new ATOM 0 HB2 GLU A 104 20.671 29.234 -12.138 1.00 0.00 H new ATOM 0 HB3 GLU A 104 21.285 27.672 -12.643 1.00 0.00 H new ATOM 0 HG2 GLU A 104 20.754 28.189 -15.008 1.00 0.00 H new ATOM 0 HG3 GLU A 104 20.030 29.715 -14.538 1.00 0.00 H new ATOM 1643 N LYS A 105 19.453 25.482 -13.400 1.00 0.00 N ATOM 1644 CA LYS A 105 19.253 24.259 -14.188 1.00 0.00 C ATOM 1645 C LYS A 105 17.762 23.880 -14.287 1.00 0.00 C ATOM 1646 O LYS A 105 17.277 23.590 -15.380 1.00 0.00 O ATOM 1647 CB LYS A 105 20.094 23.138 -13.549 1.00 0.00 C ATOM 1648 CG LYS A 105 20.135 21.839 -14.370 1.00 0.00 C ATOM 1649 CD LYS A 105 20.853 20.717 -13.600 1.00 0.00 C ATOM 1650 CE LYS A 105 19.936 20.111 -12.524 1.00 0.00 C ATOM 1651 NZ LYS A 105 20.651 19.130 -11.667 1.00 0.00 N ATOM 0 H LYS A 105 20.050 25.343 -12.585 1.00 0.00 H new ATOM 0 HA LYS A 105 19.583 24.422 -15.214 1.00 0.00 H new ATOM 0 HB2 LYS A 105 21.113 23.498 -13.408 1.00 0.00 H new ATOM 0 HB3 LYS A 105 19.694 22.917 -12.559 1.00 0.00 H new ATOM 0 HG2 LYS A 105 19.119 21.526 -14.611 1.00 0.00 H new ATOM 0 HG3 LYS A 105 20.646 22.019 -15.316 1.00 0.00 H new ATOM 0 HD2 LYS A 105 21.168 19.938 -14.295 1.00 0.00 H new ATOM 0 HD3 LYS A 105 21.756 21.112 -13.133 1.00 0.00 H new ATOM 0 HE2 LYS A 105 19.532 20.909 -11.901 1.00 0.00 H new ATOM 0 HE3 LYS A 105 19.088 19.622 -13.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 19.962 18.488 -11.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 21.314 18.579 -12.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 21.178 19.635 -10.927 1.00 0.00 H new ATOM 1665 N ALA A 106 17.020 23.935 -13.175 1.00 0.00 N ATOM 1666 CA ALA A 106 15.583 23.666 -13.117 1.00 0.00 C ATOM 1667 C ALA A 106 14.754 24.681 -13.920 1.00 0.00 C ATOM 1668 O ALA A 106 13.824 24.295 -14.626 1.00 0.00 O ATOM 1669 CB ALA A 106 15.158 23.659 -11.645 1.00 0.00 C ATOM 0 H ALA A 106 17.416 24.175 -12.266 1.00 0.00 H new ATOM 0 HA ALA A 106 15.392 22.697 -13.577 1.00 0.00 H new ATOM 0 HB1 ALA A 106 14.089 23.460 -11.576 1.00 0.00 H new ATOM 0 HB2 ALA A 106 15.707 22.883 -11.112 1.00 0.00 H new ATOM 0 HB3 ALA A 106 15.376 24.629 -11.199 1.00 0.00 H new ATOM 1675 N MET A 107 15.080 25.976 -13.846 1.00 0.00 N ATOM 1676 CA MET A 107 14.349 27.027 -14.573 1.00 0.00 C ATOM 1677 C MET A 107 14.658 27.010 -16.080 1.00 0.00 C ATOM 1678 O MET A 107 13.751 27.239 -16.883 1.00 0.00 O ATOM 1679 CB MET A 107 14.621 28.398 -13.932 1.00 0.00 C ATOM 1680 CG MET A 107 13.994 28.485 -12.528 1.00 0.00 C ATOM 1681 SD MET A 107 12.187 28.321 -12.461 1.00 0.00 S ATOM 1682 CE MET A 107 12.048 27.485 -10.860 1.00 0.00 C ATOM 0 H MET A 107 15.855 26.327 -13.283 1.00 0.00 H new ATOM 0 HA MET A 107 13.281 26.823 -14.489 1.00 0.00 H new ATOM 0 HB2 MET A 107 15.696 28.565 -13.865 1.00 0.00 H new ATOM 0 HB3 MET A 107 14.214 29.187 -14.565 1.00 0.00 H new ATOM 0 HG2 MET A 107 14.434 27.707 -11.905 1.00 0.00 H new ATOM 0 HG3 MET A 107 14.270 29.442 -12.086 1.00 0.00 H new ATOM 0 HE1 MET A 107 11.004 27.470 -10.547 1.00 0.00 H new ATOM 0 HE2 MET A 107 12.415 26.463 -10.950 1.00 0.00 H new ATOM 0 HE3 MET A 107 12.642 28.019 -10.118 1.00 0.00 H new ATOM 1692 N CYS A 108 15.889 26.662 -16.469 1.00 0.00 N ATOM 1693 CA CYS A 108 16.273 26.426 -17.865 1.00 0.00 C ATOM 1694 C CYS A 108 15.602 25.167 -18.462 1.00 0.00 C ATOM 1695 O CYS A 108 15.067 25.235 -19.572 1.00 0.00 O ATOM 1696 CB CYS A 108 17.809 26.338 -17.912 1.00 0.00 C ATOM 1697 SG CYS A 108 18.372 26.258 -19.635 1.00 0.00 S ATOM 0 H CYS A 108 16.659 26.534 -15.812 1.00 0.00 H new ATOM 0 HA CYS A 108 15.922 27.250 -18.486 1.00 0.00 H new ATOM 0 HB2 CYS A 108 18.247 27.205 -17.417 1.00 0.00 H new ATOM 0 HB3 CYS A 108 18.148 25.456 -17.368 1.00 0.00 H new ATOM 0 HG CYS A 108 19.670 26.186 -19.665 1.00 0.00 H new ATOM 1703 N SER A 109 15.637 24.050 -17.714 1.00 0.00 N ATOM 1704 CA SER A 109 15.169 22.686 -18.060 1.00 0.00 C ATOM 1705 C SER A 109 15.333 22.306 -19.545 1.00 0.00 C ATOM 1706 O SER A 109 14.333 22.338 -20.307 1.00 0.00 O ATOM 1707 CB SER A 109 13.752 22.430 -17.531 1.00 0.00 C ATOM 1708 OG SER A 109 12.861 23.253 -18.251 1.00 0.00 O ATOM 1709 OXT SER A 109 16.470 21.955 -19.935 1.00 0.00 O ATOM 0 H SER A 109 16.025 24.075 -16.771 1.00 0.00 H new ATOM 0 HA SER A 109 15.844 22.005 -17.542 1.00 0.00 H new ATOM 0 HB2 SER A 109 13.484 21.381 -17.653 1.00 0.00 H new ATOM 0 HB3 SER A 109 13.698 22.651 -16.465 1.00 0.00 H new ATOM 0 HG SER A 109 13.024 23.150 -19.212 1.00 0.00 H new