USER MOD reduce.3.24.130724 H: found=0, std=0, add=888, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 890 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 21 GLN : amide:sc= -1.78! C(o=-1.8!,f=-4.9!) USER MOD Set 1.2: B 60 LYS NZ :NH3+ 138:sc= 0.0112 (180deg=0) USER MOD Set 2.1: A 21 GLN : amide:sc= -1.76! C(o=-1.8!,f=-4.9!) USER MOD Set 2.2: A 60 LYS NZ :NH3+ 138:sc= 0.00119 (180deg=0) USER MOD Single : A 6 THR OG1 : rot -64:sc= 1.17 USER MOD Single : A 8 THR OG1 : rot 174:sc= 0.00398 USER MOD Single : A 13 SER OG : rot -129:sc= -0.427 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot -126:sc= 1.02 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.218 X(o=-0.22,f=-0.53) USER MOD Single : A 22 ASN : amide:sc=-0.00954 K(o=-0.0095,f=-1.2) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 18:sc= -6.28! USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.555 K(o=-0.55,f=0.16) USER MOD Single : A 35 SER OG : rot 180:sc= 0.0821 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 140:sc= 0.307 USER MOD Single : A 44 LYS NZ :NH3+ -123:sc= -0.0766 (180deg=-0.664) USER MOD Single : A 46 SER OG : rot 67:sc= 0.933 USER MOD Single : A 48 GLN : amide:sc= -3.94! C(o=-3.9!,f=-5.5!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.0848 X(o=-0.085,f=0) USER MOD Single : A 61 TYR OH : rot -179:sc= -1.24! USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : B 6 THR OG1 : rot -77:sc= 1.08 USER MOD Single : B 8 THR OG1 : rot -169:sc= -0.0403 USER MOD Single : B 13 SER OG : rot -150:sc= -0.0397 USER MOD Single : B 14 TYR OH : rot 180:sc= 0 USER MOD Single : B 15 THR OG1 : rot -134:sc= 1 USER MOD Single : B 16 SER OG : rot 180:sc= 0 USER MOD Single : B 18 GLN : amide:sc= -0.213 X(o=-0.21,f=-0.54) USER MOD Single : B 22 ASN : amide:sc=-0.00901 K(o=-0.009,f=-1.3) USER MOD Single : B 27 TYR OH : rot 180:sc= 0 USER MOD Single : B 30 THR OG1 : rot 19:sc= -6.12! USER MOD Single : B 31 SER OG : rot 180:sc= 0 USER MOD Single : B 32 SER OG : rot 180:sc= 0 USER MOD Single : B 33 GLN : amide:sc= -0.643 K(o=-0.64,f=0.37) USER MOD Single : B 35 SER OG : rot 180:sc= 0.0515 USER MOD Single : B 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 43 THR OG1 : rot 140:sc= 0.311 USER MOD Single : B 44 LYS NZ :NH3+ -121:sc= -0.074 (180deg=-0.682) USER MOD Single : B 46 SER OG : rot 68:sc= 0.901 USER MOD Single : B 48 GLN : amide:sc= -1.78 K(o=-1.8,f=-4!) USER MOD Single : B 54 SER OG : rot 180:sc= 0 USER MOD Single : B 59 GLN : amide:sc= -0.0783 X(o=-0.078,f=0) USER MOD Single : B 61 TYR OH : rot 178:sc= -1.31! USER MOD Single : B 63 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 53 N ASP A 5 52.156 5.304 -14.357 1.00 0.00 N ATOM 54 CA ASP A 5 53.039 5.754 -13.246 1.00 0.00 C ATOM 55 C ASP A 5 52.738 4.942 -11.986 1.00 0.00 C ATOM 56 O ASP A 5 53.472 4.985 -11.019 1.00 0.00 O ATOM 57 CB ASP A 5 52.786 7.237 -12.967 1.00 0.00 C ATOM 58 CG ASP A 5 54.122 7.976 -12.878 1.00 0.00 C ATOM 59 OD1 ASP A 5 54.938 7.789 -13.764 1.00 0.00 O ATOM 60 OD2 ASP A 5 54.306 8.713 -11.924 1.00 0.00 O ATOM 0 HA ASP A 5 54.081 5.606 -13.530 1.00 0.00 H new ATOM 0 HB2 ASP A 5 52.173 7.667 -13.759 1.00 0.00 H new ATOM 0 HB3 ASP A 5 52.232 7.353 -12.036 1.00 0.00 H new ATOM 65 N THR A 6 51.663 4.203 -11.985 1.00 0.00 N ATOM 66 CA THR A 6 51.320 3.393 -10.780 1.00 0.00 C ATOM 67 C THR A 6 51.002 4.341 -9.618 1.00 0.00 C ATOM 68 O THR A 6 51.191 5.536 -9.731 1.00 0.00 O ATOM 69 CB THR A 6 52.506 2.494 -10.407 1.00 0.00 C ATOM 70 OG1 THR A 6 53.298 3.144 -9.422 1.00 0.00 O ATOM 71 CG2 THR A 6 53.358 2.211 -11.646 1.00 0.00 C ATOM 0 H THR A 6 51.008 4.124 -12.763 1.00 0.00 H new ATOM 0 HA THR A 6 50.453 2.766 -10.991 1.00 0.00 H new ATOM 0 HB THR A 6 52.131 1.550 -10.011 1.00 0.00 H new ATOM 0 HG1 THR A 6 53.687 3.960 -9.801 1.00 0.00 H new ATOM 0 HG21 THR A 6 54.198 1.572 -11.372 1.00 0.00 H new ATOM 0 HG22 THR A 6 52.750 1.709 -12.399 1.00 0.00 H new ATOM 0 HG23 THR A 6 53.734 3.150 -12.051 1.00 0.00 H new ATOM 79 N PRO A 7 50.525 3.781 -8.535 1.00 0.00 N ATOM 80 CA PRO A 7 50.168 4.557 -7.335 1.00 0.00 C ATOM 81 C PRO A 7 51.428 4.925 -6.546 1.00 0.00 C ATOM 82 O PRO A 7 52.533 4.599 -6.936 1.00 0.00 O ATOM 83 CB PRO A 7 49.278 3.597 -6.538 1.00 0.00 C ATOM 84 CG PRO A 7 49.631 2.171 -7.024 1.00 0.00 C ATOM 85 CD PRO A 7 50.300 2.327 -8.404 1.00 0.00 C ATOM 0 HA PRO A 7 49.668 5.499 -7.562 1.00 0.00 H new ATOM 0 HB2 PRO A 7 49.458 3.698 -5.468 1.00 0.00 H new ATOM 0 HB3 PRO A 7 48.223 3.815 -6.706 1.00 0.00 H new ATOM 0 HG2 PRO A 7 50.303 1.678 -6.322 1.00 0.00 H new ATOM 0 HG3 PRO A 7 48.736 1.554 -7.095 1.00 0.00 H new ATOM 0 HD2 PRO A 7 51.237 1.773 -8.457 1.00 0.00 H new ATOM 0 HD3 PRO A 7 49.660 1.949 -9.202 1.00 0.00 H new ATOM 93 N THR A 8 51.276 5.604 -5.441 1.00 0.00 N ATOM 94 CA THR A 8 52.467 5.993 -4.635 1.00 0.00 C ATOM 95 C THR A 8 52.329 5.442 -3.214 1.00 0.00 C ATOM 96 O THR A 8 51.400 5.764 -2.499 1.00 0.00 O ATOM 97 CB THR A 8 52.570 7.521 -4.586 1.00 0.00 C ATOM 98 OG1 THR A 8 52.995 8.005 -5.853 1.00 0.00 O ATOM 99 CG2 THR A 8 53.581 7.937 -3.516 1.00 0.00 C ATOM 0 H THR A 8 50.378 5.906 -5.062 1.00 0.00 H new ATOM 0 HA THR A 8 53.366 5.582 -5.094 1.00 0.00 H new ATOM 0 HB THR A 8 51.595 7.941 -4.341 1.00 0.00 H new ATOM 0 HG1 THR A 8 52.968 8.985 -5.855 1.00 0.00 H new ATOM 0 HG21 THR A 8 53.651 9.024 -3.485 1.00 0.00 H new ATOM 0 HG22 THR A 8 53.255 7.566 -2.544 1.00 0.00 H new ATOM 0 HG23 THR A 8 54.558 7.517 -3.756 1.00 0.00 H new ATOM 107 N ALA A 9 53.249 4.613 -2.798 1.00 0.00 N ATOM 108 CA ALA A 9 53.172 4.039 -1.424 1.00 0.00 C ATOM 109 C ALA A 9 53.096 5.174 -0.400 1.00 0.00 C ATOM 110 O ALA A 9 53.595 6.259 -0.622 1.00 0.00 O ATOM 111 CB ALA A 9 54.417 3.192 -1.155 1.00 0.00 C ATOM 0 H ALA A 9 54.050 4.309 -3.351 1.00 0.00 H new ATOM 0 HA ALA A 9 52.283 3.415 -1.341 1.00 0.00 H new ATOM 0 HB1 ALA A 9 54.361 2.772 -0.151 1.00 0.00 H new ATOM 0 HB2 ALA A 9 54.471 2.383 -1.884 1.00 0.00 H new ATOM 0 HB3 ALA A 9 55.307 3.816 -1.238 1.00 0.00 H new ATOM 117 N CYS A 10 52.472 4.932 0.721 1.00 0.00 N ATOM 118 CA CYS A 10 52.361 5.995 1.759 1.00 0.00 C ATOM 119 C CYS A 10 52.454 5.364 3.150 1.00 0.00 C ATOM 120 O CYS A 10 52.378 4.160 3.301 1.00 0.00 O ATOM 121 CB CYS A 10 51.018 6.712 1.608 1.00 0.00 C ATOM 122 SG CYS A 10 51.264 8.499 1.763 1.00 0.00 S ATOM 0 H CYS A 10 52.034 4.043 0.962 1.00 0.00 H new ATOM 0 HA CYS A 10 53.172 6.713 1.635 1.00 0.00 H new ATOM 0 HB2 CYS A 10 50.576 6.478 0.639 1.00 0.00 H new ATOM 0 HB3 CYS A 10 50.320 6.363 2.369 1.00 0.00 H new ATOM 127 N CYS A 11 52.618 6.164 4.169 1.00 0.00 N ATOM 128 CA CYS A 11 52.717 5.603 5.546 1.00 0.00 C ATOM 129 C CYS A 11 52.345 6.681 6.564 1.00 0.00 C ATOM 130 O CYS A 11 53.056 7.651 6.742 1.00 0.00 O ATOM 131 CB CYS A 11 54.151 5.136 5.803 1.00 0.00 C ATOM 132 SG CYS A 11 54.164 3.935 7.157 1.00 0.00 S ATOM 0 H CYS A 11 52.688 7.180 4.107 1.00 0.00 H new ATOM 0 HA CYS A 11 52.035 4.759 5.644 1.00 0.00 H new ATOM 0 HB2 CYS A 11 54.565 4.686 4.901 1.00 0.00 H new ATOM 0 HB3 CYS A 11 54.783 5.988 6.053 1.00 0.00 H new ATOM 137 N PHE A 12 51.240 6.521 7.236 1.00 0.00 N ATOM 138 CA PHE A 12 50.826 7.537 8.245 1.00 0.00 C ATOM 139 C PHE A 12 50.777 6.889 9.630 1.00 0.00 C ATOM 140 O PHE A 12 50.213 7.435 10.558 1.00 0.00 O ATOM 141 CB PHE A 12 49.438 8.073 7.891 1.00 0.00 C ATOM 142 CG PHE A 12 49.493 8.790 6.565 1.00 0.00 C ATOM 143 CD1 PHE A 12 49.330 8.071 5.374 1.00 0.00 C ATOM 144 CD2 PHE A 12 49.707 10.173 6.524 1.00 0.00 C ATOM 145 CE1 PHE A 12 49.378 8.736 4.144 1.00 0.00 C ATOM 146 CE2 PHE A 12 49.756 10.838 5.294 1.00 0.00 C ATOM 147 CZ PHE A 12 49.591 10.119 4.103 1.00 0.00 C ATOM 0 H PHE A 12 50.604 5.730 7.131 1.00 0.00 H new ATOM 0 HA PHE A 12 51.545 8.357 8.248 1.00 0.00 H new ATOM 0 HB2 PHE A 12 48.722 7.252 7.842 1.00 0.00 H new ATOM 0 HB3 PHE A 12 49.091 8.753 8.669 1.00 0.00 H new ATOM 0 HD1 PHE A 12 49.167 7.004 5.405 1.00 0.00 H new ATOM 0 HD2 PHE A 12 49.834 10.727 7.442 1.00 0.00 H new ATOM 0 HE1 PHE A 12 49.251 8.182 3.226 1.00 0.00 H new ATOM 0 HE2 PHE A 12 49.921 11.905 5.263 1.00 0.00 H new ATOM 0 HZ PHE A 12 49.628 10.632 3.153 1.00 0.00 H new ATOM 157 N SER A 13 51.357 5.730 9.780 1.00 0.00 N ATOM 158 CA SER A 13 51.330 5.058 11.109 1.00 0.00 C ATOM 159 C SER A 13 52.667 4.364 11.370 1.00 0.00 C ATOM 160 O SER A 13 52.988 3.364 10.758 1.00 0.00 O ATOM 161 CB SER A 13 50.210 4.019 11.132 1.00 0.00 C ATOM 162 OG SER A 13 49.227 4.367 10.165 1.00 0.00 O ATOM 0 H SER A 13 51.846 5.221 9.043 1.00 0.00 H new ATOM 0 HA SER A 13 51.155 5.806 11.883 1.00 0.00 H new ATOM 0 HB2 SER A 13 50.612 3.029 10.918 1.00 0.00 H new ATOM 0 HB3 SER A 13 49.761 3.973 12.124 1.00 0.00 H new ATOM 0 HG SER A 13 48.341 4.364 10.584 1.00 0.00 H new ATOM 168 N TYR A 14 53.443 4.877 12.282 1.00 0.00 N ATOM 169 CA TYR A 14 54.753 4.236 12.591 1.00 0.00 C ATOM 170 C TYR A 14 54.616 3.452 13.899 1.00 0.00 C ATOM 171 O TYR A 14 53.584 3.482 14.540 1.00 0.00 O ATOM 172 CB TYR A 14 55.846 5.306 12.724 1.00 0.00 C ATOM 173 CG TYR A 14 55.486 6.506 11.875 1.00 0.00 C ATOM 174 CD1 TYR A 14 54.921 6.322 10.607 1.00 0.00 C ATOM 175 CD2 TYR A 14 55.716 7.800 12.358 1.00 0.00 C ATOM 176 CE1 TYR A 14 54.584 7.432 9.821 1.00 0.00 C ATOM 177 CE2 TYR A 14 55.380 8.910 11.572 1.00 0.00 C ATOM 178 CZ TYR A 14 54.814 8.726 10.305 1.00 0.00 C ATOM 179 OH TYR A 14 54.485 9.819 9.528 1.00 0.00 O ATOM 0 H TYR A 14 53.228 5.712 12.827 1.00 0.00 H new ATOM 0 HA TYR A 14 55.035 3.560 11.784 1.00 0.00 H new ATOM 0 HB2 TYR A 14 55.952 5.604 13.767 1.00 0.00 H new ATOM 0 HB3 TYR A 14 56.807 4.900 12.409 1.00 0.00 H new ATOM 0 HD1 TYR A 14 54.745 5.324 10.235 1.00 0.00 H new ATOM 0 HD2 TYR A 14 56.152 7.942 13.336 1.00 0.00 H new ATOM 0 HE1 TYR A 14 54.148 7.290 8.843 1.00 0.00 H new ATOM 0 HE2 TYR A 14 55.558 9.908 11.944 1.00 0.00 H new ATOM 0 HH TYR A 14 54.707 10.642 10.011 1.00 0.00 H new ATOM 189 N THR A 15 55.630 2.737 14.294 1.00 0.00 N ATOM 190 CA THR A 15 55.528 1.939 15.551 1.00 0.00 C ATOM 191 C THR A 15 56.218 2.665 16.705 1.00 0.00 C ATOM 192 O THR A 15 57.366 3.053 16.611 1.00 0.00 O ATOM 193 CB THR A 15 56.204 0.584 15.346 1.00 0.00 C ATOM 194 OG1 THR A 15 56.282 -0.095 16.592 1.00 0.00 O ATOM 195 CG2 THR A 15 57.612 0.793 14.790 1.00 0.00 C ATOM 0 H THR A 15 56.523 2.669 13.805 1.00 0.00 H new ATOM 0 HA THR A 15 54.474 1.804 15.793 1.00 0.00 H new ATOM 0 HB THR A 15 55.623 -0.010 14.641 1.00 0.00 H new ATOM 0 HG1 THR A 15 57.211 -0.354 16.766 1.00 0.00 H new ATOM 0 HG21 THR A 15 58.093 -0.174 14.644 1.00 0.00 H new ATOM 0 HG22 THR A 15 57.552 1.316 13.836 1.00 0.00 H new ATOM 0 HG23 THR A 15 58.196 1.387 15.493 1.00 0.00 H new ATOM 203 N SER A 16 55.540 2.824 17.811 1.00 0.00 N ATOM 204 CA SER A 16 56.180 3.492 18.975 1.00 0.00 C ATOM 205 C SER A 16 57.420 2.682 19.352 1.00 0.00 C ATOM 206 O SER A 16 58.512 3.203 19.461 1.00 0.00 O ATOM 207 CB SER A 16 55.202 3.521 20.151 1.00 0.00 C ATOM 208 OG SER A 16 55.909 3.838 21.342 1.00 0.00 O ATOM 0 H SER A 16 54.577 2.521 17.956 1.00 0.00 H new ATOM 0 HA SER A 16 56.456 4.517 18.727 1.00 0.00 H new ATOM 0 HB2 SER A 16 54.421 4.259 19.971 1.00 0.00 H new ATOM 0 HB3 SER A 16 54.709 2.554 20.253 1.00 0.00 H new ATOM 0 HG SER A 16 55.285 3.859 22.097 1.00 0.00 H new ATOM 214 N ARG A 17 57.257 1.397 19.517 1.00 0.00 N ATOM 215 CA ARG A 17 58.417 0.527 19.847 1.00 0.00 C ATOM 216 C ARG A 17 58.924 -0.096 18.544 1.00 0.00 C ATOM 217 O ARG A 17 58.196 -0.781 17.853 1.00 0.00 O ATOM 218 CB ARG A 17 57.974 -0.576 20.812 1.00 0.00 C ATOM 219 CG ARG A 17 59.161 -1.008 21.675 1.00 0.00 C ATOM 220 CD ARG A 17 58.992 -0.450 23.090 1.00 0.00 C ATOM 221 NE ARG A 17 58.078 -1.334 23.866 1.00 0.00 N ATOM 222 CZ ARG A 17 57.705 -0.994 25.070 1.00 0.00 C ATOM 223 NH1 ARG A 17 57.705 0.262 25.424 1.00 0.00 N ATOM 224 NH2 ARG A 17 57.334 -1.911 25.920 1.00 0.00 N ATOM 0 H ARG A 17 56.363 0.912 19.436 1.00 0.00 H new ATOM 0 HA ARG A 17 59.208 1.108 20.321 1.00 0.00 H new ATOM 0 HB2 ARG A 17 57.163 -0.216 21.445 1.00 0.00 H new ATOM 0 HB3 ARG A 17 57.588 -1.429 20.253 1.00 0.00 H new ATOM 0 HG2 ARG A 17 59.225 -2.096 21.707 1.00 0.00 H new ATOM 0 HG3 ARG A 17 60.092 -0.647 21.239 1.00 0.00 H new ATOM 0 HD2 ARG A 17 59.961 -0.386 23.585 1.00 0.00 H new ATOM 0 HD3 ARG A 17 58.588 0.562 23.048 1.00 0.00 H new ATOM 0 HE ARG A 17 57.743 -2.206 23.456 1.00 0.00 H new ATOM 0 HH11 ARG A 17 57.997 0.979 24.760 1.00 0.00 H new ATOM 0 HH12 ARG A 17 57.413 0.527 26.365 1.00 0.00 H new ATOM 0 HH21 ARG A 17 57.335 -2.893 25.644 1.00 0.00 H new ATOM 0 HH22 ARG A 17 57.042 -1.646 26.861 1.00 0.00 H new ATOM 238 N GLN A 18 60.150 0.165 18.181 1.00 0.00 N ATOM 239 CA GLN A 18 60.685 -0.384 16.901 1.00 0.00 C ATOM 240 C GLN A 18 60.393 -1.868 16.746 1.00 0.00 C ATOM 241 O GLN A 18 59.716 -2.498 17.534 1.00 0.00 O ATOM 242 CB GLN A 18 62.200 -0.203 16.816 1.00 0.00 C ATOM 243 CG GLN A 18 62.826 -0.108 18.208 1.00 0.00 C ATOM 244 CD GLN A 18 64.049 -1.028 18.274 1.00 0.00 C ATOM 245 OE1 GLN A 18 65.146 -0.583 18.546 1.00 0.00 O ATOM 246 NE2 GLN A 18 63.903 -2.302 18.033 1.00 0.00 N ATOM 0 H GLN A 18 60.805 0.735 18.715 1.00 0.00 H new ATOM 0 HA GLN A 18 60.185 0.171 16.107 1.00 0.00 H new ATOM 0 HB2 GLN A 18 62.639 -1.041 16.274 1.00 0.00 H new ATOM 0 HB3 GLN A 18 62.430 0.699 16.249 1.00 0.00 H new ATOM 0 HG2 GLN A 18 63.118 0.921 18.419 1.00 0.00 H new ATOM 0 HG3 GLN A 18 62.099 -0.395 18.967 1.00 0.00 H new ATOM 0 HE21 GLN A 18 62.982 -2.676 17.805 1.00 0.00 H new ATOM 0 HE22 GLN A 18 64.710 -2.924 18.073 1.00 0.00 H new ATOM 255 N ILE A 19 60.961 -2.411 15.718 1.00 0.00 N ATOM 256 CA ILE A 19 60.850 -3.828 15.393 1.00 0.00 C ATOM 257 C ILE A 19 62.281 -4.240 15.071 1.00 0.00 C ATOM 258 O ILE A 19 62.853 -3.778 14.105 1.00 0.00 O ATOM 259 CB ILE A 19 59.953 -4.019 14.165 1.00 0.00 C ATOM 260 CG1 ILE A 19 59.973 -2.746 13.297 1.00 0.00 C ATOM 261 CG2 ILE A 19 58.521 -4.320 14.612 1.00 0.00 C ATOM 262 CD1 ILE A 19 58.930 -1.737 13.795 1.00 0.00 C ATOM 0 H ILE A 19 61.531 -1.885 15.056 1.00 0.00 H new ATOM 0 HA ILE A 19 60.411 -4.417 16.199 1.00 0.00 H new ATOM 0 HB ILE A 19 60.328 -4.856 13.576 1.00 0.00 H new ATOM 0 HG12 ILE A 19 60.965 -2.296 13.325 1.00 0.00 H new ATOM 0 HG13 ILE A 19 59.770 -3.005 12.258 1.00 0.00 H new ATOM 0 HG21 ILE A 19 57.887 -4.455 13.736 1.00 0.00 H new ATOM 0 HG22 ILE A 19 58.511 -5.231 15.211 1.00 0.00 H new ATOM 0 HG23 ILE A 19 58.144 -3.489 15.208 1.00 0.00 H new ATOM 0 HD11 ILE A 19 58.959 -0.845 13.170 1.00 0.00 H new ATOM 0 HD12 ILE A 19 57.937 -2.184 13.743 1.00 0.00 H new ATOM 0 HD13 ILE A 19 59.151 -1.464 14.827 1.00 0.00 H new ATOM 274 N PRO A 20 62.834 -5.045 15.909 1.00 0.00 N ATOM 275 CA PRO A 20 64.227 -5.485 15.769 1.00 0.00 C ATOM 276 C PRO A 20 64.445 -6.235 14.459 1.00 0.00 C ATOM 277 O PRO A 20 63.542 -6.812 13.893 1.00 0.00 O ATOM 278 CB PRO A 20 64.456 -6.337 17.018 1.00 0.00 C ATOM 279 CG PRO A 20 63.051 -6.727 17.523 1.00 0.00 C ATOM 280 CD PRO A 20 62.117 -5.630 17.048 1.00 0.00 C ATOM 0 HA PRO A 20 64.944 -4.666 15.711 1.00 0.00 H new ATOM 0 HB2 PRO A 20 65.047 -7.222 16.785 1.00 0.00 H new ATOM 0 HB3 PRO A 20 65.004 -5.779 17.777 1.00 0.00 H new ATOM 0 HG2 PRO A 20 62.749 -7.696 17.126 1.00 0.00 H new ATOM 0 HG3 PRO A 20 63.036 -6.809 18.610 1.00 0.00 H new ATOM 0 HD2 PRO A 20 61.147 -6.028 16.751 1.00 0.00 H new ATOM 0 HD3 PRO A 20 61.933 -4.892 17.829 1.00 0.00 H new ATOM 288 N GLN A 21 65.646 -6.191 13.959 1.00 0.00 N ATOM 289 CA GLN A 21 65.952 -6.861 12.669 1.00 0.00 C ATOM 290 C GLN A 21 65.294 -8.244 12.621 1.00 0.00 C ATOM 291 O GLN A 21 65.022 -8.771 11.561 1.00 0.00 O ATOM 292 CB GLN A 21 67.471 -6.998 12.528 1.00 0.00 C ATOM 293 CG GLN A 21 68.056 -5.671 12.033 1.00 0.00 C ATOM 294 CD GLN A 21 69.285 -5.947 11.166 1.00 0.00 C ATOM 295 OE1 GLN A 21 70.375 -6.120 11.672 1.00 0.00 O ATOM 296 NE2 GLN A 21 69.154 -5.996 9.867 1.00 0.00 N ATOM 0 H GLN A 21 66.436 -5.714 14.394 1.00 0.00 H new ATOM 0 HA GLN A 21 65.559 -6.264 11.846 1.00 0.00 H new ATOM 0 HB2 GLN A 21 67.914 -7.269 13.487 1.00 0.00 H new ATOM 0 HB3 GLN A 21 67.712 -7.798 11.828 1.00 0.00 H new ATOM 0 HG2 GLN A 21 67.308 -5.123 11.459 1.00 0.00 H new ATOM 0 HG3 GLN A 21 68.330 -5.043 12.881 1.00 0.00 H new ATOM 0 HE21 GLN A 21 68.239 -5.851 9.441 1.00 0.00 H new ATOM 0 HE22 GLN A 21 69.967 -6.179 9.279 1.00 0.00 H new ATOM 305 N ASN A 22 65.035 -8.839 13.754 1.00 0.00 N ATOM 306 CA ASN A 22 64.394 -10.186 13.755 1.00 0.00 C ATOM 307 C ASN A 22 62.877 -10.039 13.598 1.00 0.00 C ATOM 308 O ASN A 22 62.242 -10.798 12.892 1.00 0.00 O ATOM 309 CB ASN A 22 64.700 -10.898 15.074 1.00 0.00 C ATOM 310 CG ASN A 22 64.008 -12.262 15.085 1.00 0.00 C ATOM 311 OD1 ASN A 22 63.808 -12.863 14.048 1.00 0.00 O ATOM 312 ND2 ASN A 22 63.631 -12.779 16.222 1.00 0.00 N ATOM 0 H ASN A 22 65.238 -8.453 14.676 1.00 0.00 H new ATOM 0 HA ASN A 22 64.789 -10.770 12.924 1.00 0.00 H new ATOM 0 HB2 ASN A 22 65.776 -11.023 15.192 1.00 0.00 H new ATOM 0 HB3 ASN A 22 64.355 -10.296 15.914 1.00 0.00 H new ATOM 0 HD21 ASN A 22 63.168 -13.688 16.241 1.00 0.00 H new ATOM 0 HD22 ASN A 22 63.799 -12.274 17.092 1.00 0.00 H new ATOM 319 N PHE A 23 62.290 -9.068 14.246 1.00 0.00 N ATOM 320 CA PHE A 23 60.815 -8.873 14.131 1.00 0.00 C ATOM 321 C PHE A 23 60.486 -8.212 12.790 1.00 0.00 C ATOM 322 O PHE A 23 59.348 -7.887 12.510 1.00 0.00 O ATOM 323 CB PHE A 23 60.336 -7.970 15.270 1.00 0.00 C ATOM 324 CG PHE A 23 59.140 -8.598 15.943 1.00 0.00 C ATOM 325 CD1 PHE A 23 59.326 -9.507 16.991 1.00 0.00 C ATOM 326 CD2 PHE A 23 57.846 -8.272 15.520 1.00 0.00 C ATOM 327 CE1 PHE A 23 58.218 -10.090 17.616 1.00 0.00 C ATOM 328 CE2 PHE A 23 56.738 -8.853 16.146 1.00 0.00 C ATOM 329 CZ PHE A 23 56.924 -9.764 17.194 1.00 0.00 C ATOM 0 H PHE A 23 62.769 -8.401 14.851 1.00 0.00 H new ATOM 0 HA PHE A 23 60.315 -9.840 14.190 1.00 0.00 H new ATOM 0 HB2 PHE A 23 61.138 -7.823 15.993 1.00 0.00 H new ATOM 0 HB3 PHE A 23 60.073 -6.986 14.882 1.00 0.00 H new ATOM 0 HD1 PHE A 23 60.324 -9.758 17.317 1.00 0.00 H new ATOM 0 HD2 PHE A 23 57.703 -7.572 14.710 1.00 0.00 H new ATOM 0 HE1 PHE A 23 58.361 -10.792 18.424 1.00 0.00 H new ATOM 0 HE2 PHE A 23 55.740 -8.599 15.822 1.00 0.00 H new ATOM 0 HZ PHE A 23 56.069 -10.215 17.676 1.00 0.00 H new ATOM 339 N ILE A 24 61.471 -8.001 11.962 1.00 0.00 N ATOM 340 CA ILE A 24 61.218 -7.353 10.646 1.00 0.00 C ATOM 341 C ILE A 24 61.674 -8.283 9.521 1.00 0.00 C ATOM 342 O ILE A 24 62.320 -9.287 9.744 1.00 0.00 O ATOM 343 CB ILE A 24 61.996 -6.025 10.598 1.00 0.00 C ATOM 344 CG1 ILE A 24 61.050 -4.878 10.931 1.00 0.00 C ATOM 345 CG2 ILE A 24 62.606 -5.769 9.210 1.00 0.00 C ATOM 346 CD1 ILE A 24 61.882 -3.636 11.219 1.00 0.00 C ATOM 0 H ILE A 24 62.444 -8.251 12.141 1.00 0.00 H new ATOM 0 HA ILE A 24 60.154 -7.155 10.518 1.00 0.00 H new ATOM 0 HB ILE A 24 62.807 -6.088 11.324 1.00 0.00 H new ATOM 0 HG12 ILE A 24 60.370 -4.694 10.099 1.00 0.00 H new ATOM 0 HG13 ILE A 24 60.436 -5.132 11.795 1.00 0.00 H new ATOM 0 HG21 ILE A 24 63.146 -4.822 9.219 1.00 0.00 H new ATOM 0 HG22 ILE A 24 63.294 -6.577 8.960 1.00 0.00 H new ATOM 0 HG23 ILE A 24 61.811 -5.726 8.465 1.00 0.00 H new ATOM 0 HD11 ILE A 24 61.221 -2.803 11.460 1.00 0.00 H new ATOM 0 HD12 ILE A 24 62.544 -3.829 12.063 1.00 0.00 H new ATOM 0 HD13 ILE A 24 62.477 -3.385 10.341 1.00 0.00 H new ATOM 358 N ALA A 25 61.350 -7.932 8.310 1.00 0.00 N ATOM 359 CA ALA A 25 61.769 -8.762 7.154 1.00 0.00 C ATOM 360 C ALA A 25 62.162 -7.839 5.998 1.00 0.00 C ATOM 361 O ALA A 25 63.206 -7.988 5.398 1.00 0.00 O ATOM 362 CB ALA A 25 60.608 -9.661 6.722 1.00 0.00 C ATOM 0 H ALA A 25 60.810 -7.100 8.072 1.00 0.00 H new ATOM 0 HA ALA A 25 62.618 -9.385 7.434 1.00 0.00 H new ATOM 0 HB1 ALA A 25 60.916 -10.271 5.873 1.00 0.00 H new ATOM 0 HB2 ALA A 25 60.323 -10.310 7.550 1.00 0.00 H new ATOM 0 HB3 ALA A 25 59.757 -9.043 6.435 1.00 0.00 H new ATOM 368 N ALA A 26 61.326 -6.888 5.679 1.00 0.00 N ATOM 369 CA ALA A 26 61.647 -5.952 4.562 1.00 0.00 C ATOM 370 C ALA A 26 62.051 -4.577 5.119 1.00 0.00 C ATOM 371 O ALA A 26 62.655 -4.471 6.169 1.00 0.00 O ATOM 372 CB ALA A 26 60.420 -5.820 3.660 1.00 0.00 C ATOM 0 H ALA A 26 60.434 -6.718 6.144 1.00 0.00 H new ATOM 0 HA ALA A 26 62.484 -6.344 3.985 1.00 0.00 H new ATOM 0 HB1 ALA A 26 60.643 -5.138 2.840 1.00 0.00 H new ATOM 0 HB2 ALA A 26 60.158 -6.798 3.257 1.00 0.00 H new ATOM 0 HB3 ALA A 26 59.583 -5.430 4.239 1.00 0.00 H new ATOM 378 N TYR A 27 61.701 -3.525 4.422 1.00 0.00 N ATOM 379 CA TYR A 27 62.027 -2.145 4.890 1.00 0.00 C ATOM 380 C TYR A 27 61.489 -1.142 3.863 1.00 0.00 C ATOM 381 O TYR A 27 60.814 -0.188 4.191 1.00 0.00 O ATOM 382 CB TYR A 27 63.541 -1.964 5.023 1.00 0.00 C ATOM 383 CG TYR A 27 64.215 -2.368 3.738 1.00 0.00 C ATOM 384 CD1 TYR A 27 64.535 -3.710 3.509 1.00 0.00 C ATOM 385 CD2 TYR A 27 64.524 -1.399 2.777 1.00 0.00 C ATOM 386 CE1 TYR A 27 65.166 -4.085 2.316 1.00 0.00 C ATOM 387 CE2 TYR A 27 65.154 -1.772 1.584 1.00 0.00 C ATOM 388 CZ TYR A 27 65.475 -3.115 1.353 1.00 0.00 C ATOM 389 OH TYR A 27 66.095 -3.484 0.178 1.00 0.00 O ATOM 0 H TYR A 27 61.196 -3.566 3.537 1.00 0.00 H new ATOM 0 HA TYR A 27 61.570 -1.980 5.866 1.00 0.00 H new ATOM 0 HB2 TYR A 27 63.774 -0.925 5.256 1.00 0.00 H new ATOM 0 HB3 TYR A 27 63.918 -2.568 5.848 1.00 0.00 H new ATOM 0 HD1 TYR A 27 64.296 -4.457 4.252 1.00 0.00 H new ATOM 0 HD2 TYR A 27 64.276 -0.363 2.956 1.00 0.00 H new ATOM 0 HE1 TYR A 27 65.414 -5.121 2.138 1.00 0.00 H new ATOM 0 HE2 TYR A 27 65.392 -1.024 0.842 1.00 0.00 H new ATOM 0 HH TYR A 27 66.237 -2.691 -0.380 1.00 0.00 H new ATOM 399 N PHE A 28 61.788 -1.351 2.617 1.00 0.00 N ATOM 400 CA PHE A 28 61.298 -0.416 1.568 1.00 0.00 C ATOM 401 C PHE A 28 61.664 1.008 1.972 1.00 0.00 C ATOM 402 O PHE A 28 62.281 1.230 2.995 1.00 0.00 O ATOM 403 CB PHE A 28 59.777 -0.528 1.447 1.00 0.00 C ATOM 404 CG PHE A 28 59.385 -1.978 1.291 1.00 0.00 C ATOM 405 CD1 PHE A 28 59.467 -2.594 0.037 1.00 0.00 C ATOM 406 CD2 PHE A 28 58.937 -2.705 2.401 1.00 0.00 C ATOM 407 CE1 PHE A 28 59.101 -3.936 -0.109 1.00 0.00 C ATOM 408 CE2 PHE A 28 58.569 -4.047 2.255 1.00 0.00 C ATOM 409 CZ PHE A 28 58.651 -4.663 1.000 1.00 0.00 C ATOM 0 H PHE A 28 62.352 -2.130 2.276 1.00 0.00 H new ATOM 0 HA PHE A 28 61.755 -0.666 0.610 1.00 0.00 H new ATOM 0 HB2 PHE A 28 59.300 -0.105 2.331 1.00 0.00 H new ATOM 0 HB3 PHE A 28 59.427 0.048 0.590 1.00 0.00 H new ATOM 0 HD1 PHE A 28 59.813 -2.033 -0.818 1.00 0.00 H new ATOM 0 HD2 PHE A 28 58.876 -2.230 3.369 1.00 0.00 H new ATOM 0 HE1 PHE A 28 59.165 -4.411 -1.077 1.00 0.00 H new ATOM 0 HE2 PHE A 28 58.222 -4.608 3.110 1.00 0.00 H new ATOM 0 HZ PHE A 28 58.367 -5.699 0.887 1.00 0.00 H new ATOM 419 N GLU A 29 61.293 1.979 1.189 1.00 0.00 N ATOM 420 CA GLU A 29 61.632 3.377 1.555 1.00 0.00 C ATOM 421 C GLU A 29 60.640 4.341 0.921 1.00 0.00 C ATOM 422 O GLU A 29 61.008 5.351 0.354 1.00 0.00 O ATOM 423 CB GLU A 29 63.046 3.697 1.081 1.00 0.00 C ATOM 424 CG GLU A 29 63.209 3.220 -0.362 1.00 0.00 C ATOM 425 CD GLU A 29 63.954 4.282 -1.172 1.00 0.00 C ATOM 426 OE1 GLU A 29 63.481 5.407 -1.213 1.00 0.00 O ATOM 427 OE2 GLU A 29 64.984 3.955 -1.736 1.00 0.00 O ATOM 0 H GLU A 29 60.774 1.866 0.318 1.00 0.00 H new ATOM 0 HA GLU A 29 61.580 3.487 2.638 1.00 0.00 H new ATOM 0 HB2 GLU A 29 63.231 4.769 1.146 1.00 0.00 H new ATOM 0 HB3 GLU A 29 63.778 3.208 1.724 1.00 0.00 H new ATOM 0 HG2 GLU A 29 63.759 2.279 -0.385 1.00 0.00 H new ATOM 0 HG3 GLU A 29 62.232 3.029 -0.805 1.00 0.00 H new ATOM 434 N THR A 30 59.383 4.048 1.049 1.00 0.00 N ATOM 435 CA THR A 30 58.339 4.955 0.495 1.00 0.00 C ATOM 436 C THR A 30 58.778 5.486 -0.876 1.00 0.00 C ATOM 437 O THR A 30 59.430 4.801 -1.637 1.00 0.00 O ATOM 438 CB THR A 30 58.185 6.117 1.469 1.00 0.00 C ATOM 439 OG1 THR A 30 59.428 6.802 1.540 1.00 0.00 O ATOM 440 CG2 THR A 30 57.822 5.560 2.847 1.00 0.00 C ATOM 0 H THR A 30 59.027 3.214 1.516 1.00 0.00 H new ATOM 0 HA THR A 30 57.396 4.423 0.370 1.00 0.00 H new ATOM 0 HB THR A 30 57.402 6.800 1.139 1.00 0.00 H new ATOM 0 HG1 THR A 30 59.979 6.560 0.767 1.00 0.00 H new ATOM 0 HG21 THR A 30 57.709 6.382 3.554 1.00 0.00 H new ATOM 0 HG22 THR A 30 56.885 5.007 2.781 1.00 0.00 H new ATOM 0 HG23 THR A 30 58.613 4.893 3.190 1.00 0.00 H new ATOM 448 N SER A 31 58.430 6.705 -1.189 1.00 0.00 N ATOM 449 CA SER A 31 58.831 7.286 -2.500 1.00 0.00 C ATOM 450 C SER A 31 59.136 8.774 -2.313 1.00 0.00 C ATOM 451 O SER A 31 59.269 9.253 -1.204 1.00 0.00 O ATOM 452 CB SER A 31 57.692 7.116 -3.506 1.00 0.00 C ATOM 453 OG SER A 31 58.238 6.969 -4.809 1.00 0.00 O ATOM 0 H SER A 31 57.884 7.324 -0.590 1.00 0.00 H new ATOM 0 HA SER A 31 59.717 6.774 -2.875 1.00 0.00 H new ATOM 0 HB2 SER A 31 57.092 6.243 -3.250 1.00 0.00 H new ATOM 0 HB3 SER A 31 57.029 7.980 -3.472 1.00 0.00 H new ATOM 0 HG SER A 31 57.512 6.858 -5.457 1.00 0.00 H new ATOM 459 N SER A 32 59.249 9.511 -3.383 1.00 0.00 N ATOM 460 CA SER A 32 59.546 10.966 -3.252 1.00 0.00 C ATOM 461 C SER A 32 58.252 11.767 -3.413 1.00 0.00 C ATOM 462 O SER A 32 58.267 12.912 -3.823 1.00 0.00 O ATOM 463 CB SER A 32 60.544 11.382 -4.332 1.00 0.00 C ATOM 464 OG SER A 32 61.826 10.856 -4.014 1.00 0.00 O ATOM 0 H SER A 32 59.149 9.171 -4.339 1.00 0.00 H new ATOM 0 HA SER A 32 59.974 11.163 -2.269 1.00 0.00 H new ATOM 0 HB2 SER A 32 60.219 11.015 -5.305 1.00 0.00 H new ATOM 0 HB3 SER A 32 60.591 12.469 -4.401 1.00 0.00 H new ATOM 0 HG SER A 32 62.468 11.119 -4.706 1.00 0.00 H new ATOM 470 N GLN A 33 57.133 11.176 -3.098 1.00 0.00 N ATOM 471 CA GLN A 33 55.840 11.904 -3.238 1.00 0.00 C ATOM 472 C GLN A 33 55.117 11.943 -1.889 1.00 0.00 C ATOM 473 O GLN A 33 54.764 12.995 -1.395 1.00 0.00 O ATOM 474 CB GLN A 33 54.962 11.186 -4.265 1.00 0.00 C ATOM 475 CG GLN A 33 55.246 11.747 -5.660 1.00 0.00 C ATOM 476 CD GLN A 33 54.940 13.246 -5.680 1.00 0.00 C ATOM 477 OE1 GLN A 33 53.801 13.646 -5.539 1.00 0.00 O ATOM 478 NE2 GLN A 33 55.914 14.096 -5.848 1.00 0.00 N ATOM 0 H GLN A 33 57.058 10.220 -2.750 1.00 0.00 H new ATOM 0 HA GLN A 33 56.035 12.924 -3.570 1.00 0.00 H new ATOM 0 HB2 GLN A 33 55.162 10.115 -4.245 1.00 0.00 H new ATOM 0 HB3 GLN A 33 53.909 11.319 -4.015 1.00 0.00 H new ATOM 0 HG2 GLN A 33 56.288 11.574 -5.928 1.00 0.00 H new ATOM 0 HG3 GLN A 33 54.637 11.231 -6.402 1.00 0.00 H new ATOM 0 HE21 GLN A 33 56.870 13.760 -5.966 1.00 0.00 H new ATOM 0 HE22 GLN A 33 55.720 15.097 -5.861 1.00 0.00 H new ATOM 487 N CYS A 34 54.888 10.804 -1.293 1.00 0.00 N ATOM 488 CA CYS A 34 54.183 10.777 0.020 1.00 0.00 C ATOM 489 C CYS A 34 55.095 11.347 1.109 1.00 0.00 C ATOM 490 O CYS A 34 56.258 11.613 0.882 1.00 0.00 O ATOM 491 CB CYS A 34 53.816 9.333 0.370 1.00 0.00 C ATOM 492 SG CYS A 34 52.069 9.043 -0.008 1.00 0.00 S ATOM 0 H CYS A 34 55.159 9.891 -1.659 1.00 0.00 H new ATOM 0 HA CYS A 34 53.278 11.381 -0.045 1.00 0.00 H new ATOM 0 HB2 CYS A 34 54.441 8.641 -0.195 1.00 0.00 H new ATOM 0 HB3 CYS A 34 54.006 9.144 1.427 1.00 0.00 H new ATOM 497 N SER A 35 54.575 11.535 2.292 1.00 0.00 N ATOM 498 CA SER A 35 55.411 12.084 3.398 1.00 0.00 C ATOM 499 C SER A 35 56.070 10.930 4.155 1.00 0.00 C ATOM 500 O SER A 35 55.988 10.842 5.363 1.00 0.00 O ATOM 501 CB SER A 35 54.529 12.883 4.358 1.00 0.00 C ATOM 502 OG SER A 35 53.163 12.668 4.030 1.00 0.00 O ATOM 0 H SER A 35 53.607 11.332 2.540 1.00 0.00 H new ATOM 0 HA SER A 35 56.179 12.737 2.984 1.00 0.00 H new ATOM 0 HB2 SER A 35 54.721 12.577 5.386 1.00 0.00 H new ATOM 0 HB3 SER A 35 54.768 13.944 4.292 1.00 0.00 H new ATOM 0 HG SER A 35 52.595 13.178 4.645 1.00 0.00 H new ATOM 508 N LYS A 36 56.714 10.041 3.444 1.00 0.00 N ATOM 509 CA LYS A 36 57.382 8.876 4.089 1.00 0.00 C ATOM 510 C LYS A 36 57.947 9.246 5.465 1.00 0.00 C ATOM 511 O LYS A 36 58.483 10.320 5.646 1.00 0.00 O ATOM 512 CB LYS A 36 58.536 8.433 3.201 1.00 0.00 C ATOM 513 CG LYS A 36 59.657 9.472 3.260 1.00 0.00 C ATOM 514 CD LYS A 36 60.590 9.288 2.061 1.00 0.00 C ATOM 515 CE LYS A 36 61.777 10.244 2.187 1.00 0.00 C ATOM 516 NZ LYS A 36 61.385 11.591 1.687 1.00 0.00 N ATOM 0 H LYS A 36 56.805 10.075 2.429 1.00 0.00 H new ATOM 0 HA LYS A 36 56.646 8.082 4.218 1.00 0.00 H new ATOM 0 HB2 LYS A 36 58.908 7.462 3.529 1.00 0.00 H new ATOM 0 HB3 LYS A 36 58.192 8.312 2.174 1.00 0.00 H new ATOM 0 HG2 LYS A 36 59.236 10.477 3.255 1.00 0.00 H new ATOM 0 HG3 LYS A 36 60.217 9.366 4.189 1.00 0.00 H new ATOM 0 HD2 LYS A 36 60.943 8.258 2.016 1.00 0.00 H new ATOM 0 HD3 LYS A 36 60.051 9.481 1.134 1.00 0.00 H new ATOM 0 HE2 LYS A 36 62.096 10.309 3.227 1.00 0.00 H new ATOM 0 HE3 LYS A 36 62.625 9.865 1.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 62.192 12.241 1.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 61.100 11.522 0.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 60.588 11.952 2.250 1.00 0.00 H new ATOM 530 N PRO A 37 57.831 8.322 6.389 1.00 0.00 N ATOM 531 CA PRO A 37 58.347 8.498 7.753 1.00 0.00 C ATOM 532 C PRO A 37 59.845 8.184 7.775 1.00 0.00 C ATOM 533 O PRO A 37 60.642 8.935 8.300 1.00 0.00 O ATOM 534 CB PRO A 37 57.571 7.461 8.567 1.00 0.00 C ATOM 535 CG PRO A 37 57.098 6.383 7.561 1.00 0.00 C ATOM 536 CD PRO A 37 57.165 7.022 6.162 1.00 0.00 C ATOM 0 HA PRO A 37 58.226 9.510 8.139 1.00 0.00 H new ATOM 0 HB2 PRO A 37 58.202 7.022 9.339 1.00 0.00 H new ATOM 0 HB3 PRO A 37 56.722 7.920 9.073 1.00 0.00 H new ATOM 0 HG2 PRO A 37 57.734 5.499 7.613 1.00 0.00 H new ATOM 0 HG3 PRO A 37 56.083 6.059 7.790 1.00 0.00 H new ATOM 0 HD2 PRO A 37 57.730 6.401 5.467 1.00 0.00 H new ATOM 0 HD3 PRO A 37 56.170 7.153 5.736 1.00 0.00 H new ATOM 544 N GLY A 38 60.229 7.075 7.200 1.00 0.00 N ATOM 545 CA GLY A 38 61.672 6.700 7.176 1.00 0.00 C ATOM 546 C GLY A 38 61.839 5.355 6.463 1.00 0.00 C ATOM 547 O GLY A 38 62.844 5.101 5.827 1.00 0.00 O ATOM 0 H GLY A 38 59.603 6.411 6.745 1.00 0.00 H new ATOM 0 HA2 GLY A 38 62.250 7.469 6.664 1.00 0.00 H new ATOM 0 HA3 GLY A 38 62.059 6.635 8.193 1.00 0.00 H new ATOM 551 N VAL A 39 60.865 4.490 6.563 1.00 0.00 N ATOM 552 CA VAL A 39 60.975 3.163 5.891 1.00 0.00 C ATOM 553 C VAL A 39 59.811 2.270 6.337 1.00 0.00 C ATOM 554 O VAL A 39 59.497 2.181 7.507 1.00 0.00 O ATOM 555 CB VAL A 39 62.335 2.524 6.258 1.00 0.00 C ATOM 556 CG1 VAL A 39 62.186 1.041 6.647 1.00 0.00 C ATOM 557 CG2 VAL A 39 63.276 2.629 5.055 1.00 0.00 C ATOM 0 H VAL A 39 60.000 4.645 7.080 1.00 0.00 H new ATOM 0 HA VAL A 39 60.924 3.280 4.809 1.00 0.00 H new ATOM 0 HB VAL A 39 62.738 3.060 7.117 1.00 0.00 H new ATOM 0 HG11 VAL A 39 63.164 0.630 6.897 1.00 0.00 H new ATOM 0 HG12 VAL A 39 61.525 0.956 7.510 1.00 0.00 H new ATOM 0 HG13 VAL A 39 61.763 0.486 5.810 1.00 0.00 H new ATOM 0 HG21 VAL A 39 64.238 2.181 5.305 1.00 0.00 H new ATOM 0 HG22 VAL A 39 62.840 2.103 4.205 1.00 0.00 H new ATOM 0 HG23 VAL A 39 63.421 3.678 4.797 1.00 0.00 H new ATOM 567 N ILE A 40 59.193 1.587 5.415 1.00 0.00 N ATOM 568 CA ILE A 40 58.079 0.677 5.789 1.00 0.00 C ATOM 569 C ILE A 40 58.703 -0.645 6.233 1.00 0.00 C ATOM 570 O ILE A 40 59.901 -0.802 6.181 1.00 0.00 O ATOM 571 CB ILE A 40 57.162 0.468 4.582 1.00 0.00 C ATOM 572 CG1 ILE A 40 56.695 1.836 4.076 1.00 0.00 C ATOM 573 CG2 ILE A 40 55.944 -0.361 4.996 1.00 0.00 C ATOM 574 CD1 ILE A 40 55.680 1.653 2.948 1.00 0.00 C ATOM 0 H ILE A 40 59.412 1.620 4.419 1.00 0.00 H new ATOM 0 HA ILE A 40 57.478 1.096 6.596 1.00 0.00 H new ATOM 0 HB ILE A 40 57.703 -0.059 3.796 1.00 0.00 H new ATOM 0 HG12 ILE A 40 56.247 2.402 4.892 1.00 0.00 H new ATOM 0 HG13 ILE A 40 57.548 2.413 3.719 1.00 0.00 H new ATOM 0 HG21 ILE A 40 55.294 -0.508 4.134 1.00 0.00 H new ATOM 0 HG22 ILE A 40 56.274 -1.330 5.371 1.00 0.00 H new ATOM 0 HG23 ILE A 40 55.396 0.163 5.779 1.00 0.00 H new ATOM 0 HD11 ILE A 40 55.351 2.630 2.592 1.00 0.00 H new ATOM 0 HD12 ILE A 40 56.143 1.105 2.127 1.00 0.00 H new ATOM 0 HD13 ILE A 40 54.821 1.094 3.319 1.00 0.00 H new ATOM 586 N PHE A 41 57.940 -1.592 6.688 1.00 0.00 N ATOM 587 CA PHE A 41 58.575 -2.861 7.123 1.00 0.00 C ATOM 588 C PHE A 41 57.622 -4.027 6.914 1.00 0.00 C ATOM 589 O PHE A 41 56.425 -3.858 6.801 1.00 0.00 O ATOM 590 CB PHE A 41 58.930 -2.765 8.605 1.00 0.00 C ATOM 591 CG PHE A 41 60.295 -2.142 8.750 1.00 0.00 C ATOM 592 CD1 PHE A 41 61.383 -2.677 8.053 1.00 0.00 C ATOM 593 CD2 PHE A 41 60.472 -1.025 9.575 1.00 0.00 C ATOM 594 CE1 PHE A 41 62.649 -2.096 8.180 1.00 0.00 C ATOM 595 CE2 PHE A 41 61.739 -0.446 9.704 1.00 0.00 C ATOM 596 CZ PHE A 41 62.826 -0.981 9.006 1.00 0.00 C ATOM 0 H PHE A 41 56.925 -1.547 6.777 1.00 0.00 H new ATOM 0 HA PHE A 41 59.476 -3.026 6.532 1.00 0.00 H new ATOM 0 HB2 PHE A 41 58.186 -2.166 9.131 1.00 0.00 H new ATOM 0 HB3 PHE A 41 58.920 -3.756 9.058 1.00 0.00 H new ATOM 0 HD1 PHE A 41 61.246 -3.539 7.417 1.00 0.00 H new ATOM 0 HD2 PHE A 41 59.631 -0.611 10.111 1.00 0.00 H new ATOM 0 HE1 PHE A 41 63.489 -2.508 7.641 1.00 0.00 H new ATOM 0 HE2 PHE A 41 61.877 0.414 10.343 1.00 0.00 H new ATOM 0 HZ PHE A 41 63.804 -0.533 9.105 1.00 0.00 H new ATOM 606 N LEU A 42 58.151 -5.212 6.875 1.00 0.00 N ATOM 607 CA LEU A 42 57.300 -6.407 6.691 1.00 0.00 C ATOM 608 C LEU A 42 57.572 -7.363 7.844 1.00 0.00 C ATOM 609 O LEU A 42 58.293 -8.332 7.711 1.00 0.00 O ATOM 610 CB LEU A 42 57.648 -7.073 5.367 1.00 0.00 C ATOM 611 CG LEU A 42 56.718 -6.533 4.285 1.00 0.00 C ATOM 612 CD1 LEU A 42 57.273 -6.898 2.909 1.00 0.00 C ATOM 613 CD2 LEU A 42 55.327 -7.147 4.458 1.00 0.00 C ATOM 0 H LEU A 42 59.149 -5.403 6.964 1.00 0.00 H new ATOM 0 HA LEU A 42 56.246 -6.131 6.678 1.00 0.00 H new ATOM 0 HB2 LEU A 42 58.687 -6.873 5.106 1.00 0.00 H new ATOM 0 HB3 LEU A 42 57.543 -8.155 5.450 1.00 0.00 H new ATOM 0 HG LEU A 42 56.648 -5.449 4.370 1.00 0.00 H new ATOM 0 HD11 LEU A 42 56.609 -6.513 2.135 1.00 0.00 H new ATOM 0 HD12 LEU A 42 58.264 -6.460 2.788 1.00 0.00 H new ATOM 0 HD13 LEU A 42 57.342 -7.982 2.821 1.00 0.00 H new ATOM 0 HD21 LEU A 42 54.661 -6.762 3.686 1.00 0.00 H new ATOM 0 HD22 LEU A 42 55.395 -8.231 4.372 1.00 0.00 H new ATOM 0 HD23 LEU A 42 54.933 -6.885 5.440 1.00 0.00 H new ATOM 625 N THR A 43 57.016 -7.075 8.982 1.00 0.00 N ATOM 626 CA THR A 43 57.245 -7.940 10.167 1.00 0.00 C ATOM 627 C THR A 43 57.002 -9.404 9.794 1.00 0.00 C ATOM 628 O THR A 43 56.710 -9.729 8.660 1.00 0.00 O ATOM 629 CB THR A 43 56.294 -7.517 11.287 1.00 0.00 C ATOM 630 OG1 THR A 43 54.999 -8.047 11.033 1.00 0.00 O ATOM 631 CG2 THR A 43 56.225 -5.986 11.345 1.00 0.00 C ATOM 0 H THR A 43 56.408 -6.272 9.144 1.00 0.00 H new ATOM 0 HA THR A 43 58.275 -7.833 10.508 1.00 0.00 H new ATOM 0 HB THR A 43 56.658 -7.898 12.241 1.00 0.00 H new ATOM 0 HG1 THR A 43 54.603 -8.360 11.873 1.00 0.00 H new ATOM 0 HG21 THR A 43 55.547 -5.682 12.143 1.00 0.00 H new ATOM 0 HG22 THR A 43 57.219 -5.584 11.541 1.00 0.00 H new ATOM 0 HG23 THR A 43 55.859 -5.602 10.393 1.00 0.00 H new ATOM 639 N LYS A 44 57.125 -10.293 10.738 1.00 0.00 N ATOM 640 CA LYS A 44 56.911 -11.735 10.434 1.00 0.00 C ATOM 641 C LYS A 44 55.455 -12.106 10.711 1.00 0.00 C ATOM 642 O LYS A 44 55.101 -13.266 10.788 1.00 0.00 O ATOM 643 CB LYS A 44 57.835 -12.585 11.310 1.00 0.00 C ATOM 644 CG LYS A 44 59.171 -11.860 11.499 1.00 0.00 C ATOM 645 CD LYS A 44 59.754 -11.481 10.133 1.00 0.00 C ATOM 646 CE LYS A 44 60.504 -12.680 9.549 1.00 0.00 C ATOM 647 NZ LYS A 44 61.737 -12.933 10.348 1.00 0.00 N ATOM 0 H LYS A 44 57.364 -10.084 11.707 1.00 0.00 H new ATOM 0 HA LYS A 44 57.137 -11.922 9.384 1.00 0.00 H new ATOM 0 HB2 LYS A 44 57.369 -12.768 12.278 1.00 0.00 H new ATOM 0 HB3 LYS A 44 58.000 -13.558 10.846 1.00 0.00 H new ATOM 0 HG2 LYS A 44 59.027 -10.965 12.104 1.00 0.00 H new ATOM 0 HG3 LYS A 44 59.870 -12.500 12.038 1.00 0.00 H new ATOM 0 HD2 LYS A 44 58.956 -11.173 9.457 1.00 0.00 H new ATOM 0 HD3 LYS A 44 60.429 -10.631 10.237 1.00 0.00 H new ATOM 0 HE2 LYS A 44 59.864 -13.562 9.559 1.00 0.00 H new ATOM 0 HE3 LYS A 44 60.765 -12.487 8.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 62.568 -12.899 9.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 61.828 -12.206 11.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 61.676 -13.871 10.793 1.00 0.00 H new ATOM 661 N ARG A 45 54.607 -11.127 10.853 1.00 0.00 N ATOM 662 CA ARG A 45 53.172 -11.416 11.115 1.00 0.00 C ATOM 663 C ARG A 45 52.325 -10.704 10.064 1.00 0.00 C ATOM 664 O ARG A 45 51.139 -10.505 10.235 1.00 0.00 O ATOM 665 CB ARG A 45 52.792 -10.905 12.506 1.00 0.00 C ATOM 666 CG ARG A 45 52.029 -11.996 13.258 1.00 0.00 C ATOM 667 CD ARG A 45 50.550 -11.619 13.346 1.00 0.00 C ATOM 668 NE ARG A 45 49.714 -12.843 13.189 1.00 0.00 N ATOM 669 CZ ARG A 45 48.501 -12.749 12.720 1.00 0.00 C ATOM 670 NH1 ARG A 45 47.873 -11.606 12.758 1.00 0.00 N ATOM 671 NH2 ARG A 45 47.913 -13.799 12.214 1.00 0.00 N ATOM 0 H ARG A 45 54.847 -10.137 10.799 1.00 0.00 H new ATOM 0 HA ARG A 45 52.997 -12.491 11.067 1.00 0.00 H new ATOM 0 HB2 ARG A 45 53.688 -10.625 13.060 1.00 0.00 H new ATOM 0 HB3 ARG A 45 52.177 -10.009 12.421 1.00 0.00 H new ATOM 0 HG2 ARG A 45 52.141 -12.952 12.746 1.00 0.00 H new ATOM 0 HG3 ARG A 45 52.443 -12.120 14.259 1.00 0.00 H new ATOM 0 HD2 ARG A 45 50.341 -11.144 14.305 1.00 0.00 H new ATOM 0 HD3 ARG A 45 50.302 -10.894 12.570 1.00 0.00 H new ATOM 0 HE ARG A 45 50.091 -13.755 13.449 1.00 0.00 H new ATOM 0 HH11 ARG A 45 48.331 -10.785 13.155 1.00 0.00 H new ATOM 0 HH12 ARG A 45 46.924 -11.533 12.391 1.00 0.00 H new ATOM 0 HH21 ARG A 45 48.402 -14.693 12.185 1.00 0.00 H new ATOM 0 HH22 ARG A 45 46.964 -13.725 11.847 1.00 0.00 H new ATOM 685 N SER A 46 52.929 -10.311 8.975 1.00 0.00 N ATOM 686 CA SER A 46 52.160 -9.603 7.918 1.00 0.00 C ATOM 687 C SER A 46 51.529 -8.351 8.525 1.00 0.00 C ATOM 688 O SER A 46 50.518 -7.863 8.058 1.00 0.00 O ATOM 689 CB SER A 46 51.064 -10.525 7.381 1.00 0.00 C ATOM 690 OG SER A 46 49.819 -10.172 7.969 1.00 0.00 O ATOM 0 H SER A 46 53.919 -10.450 8.774 1.00 0.00 H new ATOM 0 HA SER A 46 52.822 -9.322 7.099 1.00 0.00 H new ATOM 0 HB2 SER A 46 51.003 -10.441 6.296 1.00 0.00 H new ATOM 0 HB3 SER A 46 51.304 -11.564 7.608 1.00 0.00 H new ATOM 0 HG SER A 46 49.547 -9.286 7.651 1.00 0.00 H new ATOM 696 N ARG A 47 52.113 -7.831 9.570 1.00 0.00 N ATOM 697 CA ARG A 47 51.539 -6.614 10.208 1.00 0.00 C ATOM 698 C ARG A 47 52.002 -5.368 9.451 1.00 0.00 C ATOM 699 O ARG A 47 51.266 -4.413 9.310 1.00 0.00 O ATOM 700 CB ARG A 47 52.004 -6.533 11.664 1.00 0.00 C ATOM 701 CG ARG A 47 50.786 -6.434 12.585 1.00 0.00 C ATOM 702 CD ARG A 47 51.111 -5.518 13.767 1.00 0.00 C ATOM 703 NE ARG A 47 51.946 -6.259 14.755 1.00 0.00 N ATOM 704 CZ ARG A 47 51.659 -7.496 15.054 1.00 0.00 C ATOM 705 NH1 ARG A 47 50.708 -7.758 15.909 1.00 0.00 N ATOM 706 NH2 ARG A 47 52.324 -8.473 14.498 1.00 0.00 N ATOM 0 H ARG A 47 52.959 -8.195 10.008 1.00 0.00 H new ATOM 0 HA ARG A 47 50.451 -6.669 10.177 1.00 0.00 H new ATOM 0 HB2 ARG A 47 52.594 -7.414 11.918 1.00 0.00 H new ATOM 0 HB3 ARG A 47 52.649 -5.666 11.803 1.00 0.00 H new ATOM 0 HG2 ARG A 47 49.931 -6.044 12.033 1.00 0.00 H new ATOM 0 HG3 ARG A 47 50.508 -7.425 12.945 1.00 0.00 H new ATOM 0 HD2 ARG A 47 51.641 -4.632 13.419 1.00 0.00 H new ATOM 0 HD3 ARG A 47 50.190 -5.174 14.238 1.00 0.00 H new ATOM 0 HE ARG A 47 52.742 -5.799 15.197 1.00 0.00 H new ATOM 0 HH11 ARG A 47 50.189 -6.995 16.344 1.00 0.00 H new ATOM 0 HH12 ARG A 47 50.484 -8.725 16.142 1.00 0.00 H new ATOM 0 HH21 ARG A 47 53.067 -8.269 13.830 1.00 0.00 H new ATOM 0 HH22 ARG A 47 52.100 -9.440 14.732 1.00 0.00 H new ATOM 720 N GLN A 48 53.215 -5.373 8.970 1.00 0.00 N ATOM 721 CA GLN A 48 53.742 -4.188 8.226 1.00 0.00 C ATOM 722 C GLN A 48 53.703 -2.962 9.147 1.00 0.00 C ATOM 723 O GLN A 48 52.794 -2.801 9.935 1.00 0.00 O ATOM 724 CB GLN A 48 52.906 -3.964 6.944 1.00 0.00 C ATOM 725 CG GLN A 48 51.865 -2.847 7.128 1.00 0.00 C ATOM 726 CD GLN A 48 52.426 -1.533 6.579 1.00 0.00 C ATOM 727 OE1 GLN A 48 53.184 -1.534 5.629 1.00 0.00 O ATOM 728 NE2 GLN A 48 52.083 -0.405 7.138 1.00 0.00 N ATOM 0 H GLN A 48 53.869 -6.150 9.060 1.00 0.00 H new ATOM 0 HA GLN A 48 54.775 -4.358 7.923 1.00 0.00 H new ATOM 0 HB2 GLN A 48 53.569 -3.710 6.117 1.00 0.00 H new ATOM 0 HB3 GLN A 48 52.400 -4.891 6.673 1.00 0.00 H new ATOM 0 HG2 GLN A 48 50.942 -3.106 6.609 1.00 0.00 H new ATOM 0 HG3 GLN A 48 51.617 -2.736 8.184 1.00 0.00 H new ATOM 0 HE21 GLN A 48 51.447 -0.404 7.935 1.00 0.00 H new ATOM 0 HE22 GLN A 48 52.451 0.475 6.778 1.00 0.00 H new ATOM 737 N VAL A 49 54.681 -2.100 9.076 1.00 0.00 N ATOM 738 CA VAL A 49 54.660 -0.915 9.979 1.00 0.00 C ATOM 739 C VAL A 49 55.370 0.288 9.333 1.00 0.00 C ATOM 740 O VAL A 49 54.872 0.873 8.392 1.00 0.00 O ATOM 741 CB VAL A 49 55.338 -1.287 11.297 1.00 0.00 C ATOM 742 CG1 VAL A 49 55.187 -0.134 12.288 1.00 0.00 C ATOM 743 CG2 VAL A 49 54.678 -2.542 11.873 1.00 0.00 C ATOM 0 H VAL A 49 55.479 -2.162 8.444 1.00 0.00 H new ATOM 0 HA VAL A 49 53.625 -0.626 10.163 1.00 0.00 H new ATOM 0 HB VAL A 49 56.396 -1.481 11.120 1.00 0.00 H new ATOM 0 HG11 VAL A 49 55.670 -0.397 13.229 1.00 0.00 H new ATOM 0 HG12 VAL A 49 55.654 0.761 11.878 1.00 0.00 H new ATOM 0 HG13 VAL A 49 54.129 0.058 12.465 1.00 0.00 H new ATOM 0 HG21 VAL A 49 55.161 -2.808 12.813 1.00 0.00 H new ATOM 0 HG22 VAL A 49 53.620 -2.348 12.051 1.00 0.00 H new ATOM 0 HG23 VAL A 49 54.782 -3.365 11.166 1.00 0.00 H new ATOM 753 N CYS A 50 56.516 0.676 9.836 1.00 0.00 N ATOM 754 CA CYS A 50 57.230 1.846 9.262 1.00 0.00 C ATOM 755 C CYS A 50 58.385 2.211 10.186 1.00 0.00 C ATOM 756 O CYS A 50 58.569 1.615 11.228 1.00 0.00 O ATOM 757 CB CYS A 50 56.271 3.031 9.142 1.00 0.00 C ATOM 758 SG CYS A 50 56.121 3.500 7.400 1.00 0.00 S ATOM 0 H CYS A 50 56.985 0.227 10.623 1.00 0.00 H new ATOM 0 HA CYS A 50 57.609 1.600 8.270 1.00 0.00 H new ATOM 0 HB2 CYS A 50 55.294 2.766 9.545 1.00 0.00 H new ATOM 0 HB3 CYS A 50 56.639 3.873 9.728 1.00 0.00 H new ATOM 763 N ALA A 51 59.175 3.172 9.813 1.00 0.00 N ATOM 764 CA ALA A 51 60.324 3.547 10.679 1.00 0.00 C ATOM 765 C ALA A 51 60.609 5.041 10.572 1.00 0.00 C ATOM 766 O ALA A 51 60.804 5.568 9.496 1.00 0.00 O ATOM 767 CB ALA A 51 61.563 2.776 10.225 1.00 0.00 C ATOM 0 H ALA A 51 59.078 3.712 8.953 1.00 0.00 H new ATOM 0 HA ALA A 51 60.079 3.304 11.713 1.00 0.00 H new ATOM 0 HB1 ALA A 51 62.410 3.045 10.855 1.00 0.00 H new ATOM 0 HB2 ALA A 51 61.376 1.705 10.307 1.00 0.00 H new ATOM 0 HB3 ALA A 51 61.788 3.027 9.188 1.00 0.00 H new ATOM 773 N ASP A 52 60.670 5.722 11.686 1.00 0.00 N ATOM 774 CA ASP A 52 60.986 7.176 11.652 1.00 0.00 C ATOM 775 C ASP A 52 62.171 7.362 10.697 1.00 0.00 C ATOM 776 O ASP A 52 62.869 6.410 10.407 1.00 0.00 O ATOM 777 CB ASP A 52 61.357 7.627 13.071 1.00 0.00 C ATOM 778 CG ASP A 52 60.704 8.974 13.386 1.00 0.00 C ATOM 779 OD1 ASP A 52 59.884 9.412 12.596 1.00 0.00 O ATOM 780 OD2 ASP A 52 61.036 9.545 14.413 1.00 0.00 O ATOM 0 H ASP A 52 60.514 5.333 12.616 1.00 0.00 H new ATOM 0 HA ASP A 52 60.138 7.769 11.309 1.00 0.00 H new ATOM 0 HB2 ASP A 52 61.032 6.879 13.794 1.00 0.00 H new ATOM 0 HB3 ASP A 52 62.440 7.710 13.163 1.00 0.00 H new ATOM 785 N PRO A 53 62.364 8.559 10.214 1.00 0.00 N ATOM 786 CA PRO A 53 63.454 8.841 9.270 1.00 0.00 C ATOM 787 C PRO A 53 64.790 8.906 10.011 1.00 0.00 C ATOM 788 O PRO A 53 65.011 9.766 10.840 1.00 0.00 O ATOM 789 CB PRO A 53 63.072 10.198 8.672 1.00 0.00 C ATOM 790 CG PRO A 53 62.108 10.864 9.681 1.00 0.00 C ATOM 791 CD PRO A 53 61.541 9.734 10.561 1.00 0.00 C ATOM 0 HA PRO A 53 63.576 8.075 8.504 1.00 0.00 H new ATOM 0 HB2 PRO A 53 63.956 10.816 8.514 1.00 0.00 H new ATOM 0 HB3 PRO A 53 62.593 10.073 7.701 1.00 0.00 H new ATOM 0 HG2 PRO A 53 62.632 11.602 10.288 1.00 0.00 H new ATOM 0 HG3 PRO A 53 61.307 11.390 9.162 1.00 0.00 H new ATOM 0 HD2 PRO A 53 61.620 9.977 11.621 1.00 0.00 H new ATOM 0 HD3 PRO A 53 60.486 9.557 10.352 1.00 0.00 H new ATOM 799 N SER A 54 65.672 7.987 9.719 1.00 0.00 N ATOM 800 CA SER A 54 67.000 7.962 10.394 1.00 0.00 C ATOM 801 C SER A 54 66.879 7.252 11.747 1.00 0.00 C ATOM 802 O SER A 54 67.653 7.497 12.652 1.00 0.00 O ATOM 803 CB SER A 54 67.507 9.391 10.606 1.00 0.00 C ATOM 804 OG SER A 54 68.920 9.416 10.452 1.00 0.00 O ATOM 0 H SER A 54 65.526 7.245 9.034 1.00 0.00 H new ATOM 0 HA SER A 54 67.708 7.423 9.765 1.00 0.00 H new ATOM 0 HB2 SER A 54 67.040 10.065 9.888 1.00 0.00 H new ATOM 0 HB3 SER A 54 67.232 9.743 11.600 1.00 0.00 H new ATOM 0 HG SER A 54 69.248 10.330 10.586 1.00 0.00 H new ATOM 810 N GLU A 55 65.929 6.364 11.894 1.00 0.00 N ATOM 811 CA GLU A 55 65.796 5.643 13.195 1.00 0.00 C ATOM 812 C GLU A 55 67.101 4.958 13.508 1.00 0.00 C ATOM 813 O GLU A 55 67.857 4.570 12.643 1.00 0.00 O ATOM 814 CB GLU A 55 64.674 4.597 13.138 1.00 0.00 C ATOM 815 CG GLU A 55 63.322 5.303 13.047 1.00 0.00 C ATOM 816 CD GLU A 55 62.856 5.679 14.454 1.00 0.00 C ATOM 817 OE1 GLU A 55 63.595 6.370 15.137 1.00 0.00 O ATOM 818 OE2 GLU A 55 61.768 5.270 14.827 1.00 0.00 O ATOM 0 H GLU A 55 65.248 6.109 11.179 1.00 0.00 H new ATOM 0 HA GLU A 55 65.548 6.367 13.971 1.00 0.00 H new ATOM 0 HB2 GLU A 55 64.814 3.945 12.276 1.00 0.00 H new ATOM 0 HB3 GLU A 55 64.707 3.964 14.025 1.00 0.00 H new ATOM 0 HG2 GLU A 55 63.406 6.196 12.428 1.00 0.00 H new ATOM 0 HG3 GLU A 55 62.589 4.652 12.570 1.00 0.00 H new ATOM 825 N GLU A 56 67.362 4.827 14.756 1.00 0.00 N ATOM 826 CA GLU A 56 68.610 4.184 15.199 1.00 0.00 C ATOM 827 C GLU A 56 68.518 2.682 14.933 1.00 0.00 C ATOM 828 O GLU A 56 69.510 1.993 14.793 1.00 0.00 O ATOM 829 CB GLU A 56 68.743 4.466 16.684 1.00 0.00 C ATOM 830 CG GLU A 56 69.772 3.521 17.308 1.00 0.00 C ATOM 831 CD GLU A 56 70.719 4.324 18.201 1.00 0.00 C ATOM 832 OE1 GLU A 56 70.322 5.387 18.648 1.00 0.00 O ATOM 833 OE2 GLU A 56 71.827 3.862 18.423 1.00 0.00 O ATOM 0 H GLU A 56 66.752 5.144 15.509 1.00 0.00 H new ATOM 0 HA GLU A 56 69.480 4.566 14.665 1.00 0.00 H new ATOM 0 HB2 GLU A 56 69.047 5.501 16.840 1.00 0.00 H new ATOM 0 HB3 GLU A 56 67.778 4.340 17.174 1.00 0.00 H new ATOM 0 HG2 GLU A 56 69.268 2.751 17.892 1.00 0.00 H new ATOM 0 HG3 GLU A 56 70.335 3.011 16.527 1.00 0.00 H new ATOM 840 N TRP A 57 67.321 2.182 14.871 1.00 0.00 N ATOM 841 CA TRP A 57 67.095 0.737 14.623 1.00 0.00 C ATOM 842 C TRP A 57 66.718 0.501 13.158 1.00 0.00 C ATOM 843 O TRP A 57 66.528 -0.620 12.736 1.00 0.00 O ATOM 844 CB TRP A 57 65.955 0.310 15.525 1.00 0.00 C ATOM 845 CG TRP A 57 64.741 1.121 15.205 1.00 0.00 C ATOM 846 CD1 TRP A 57 64.422 2.309 15.762 1.00 0.00 C ATOM 847 CD2 TRP A 57 63.686 0.822 14.261 1.00 0.00 C ATOM 848 NE1 TRP A 57 63.222 2.740 15.238 1.00 0.00 N ATOM 849 CE2 TRP A 57 62.726 1.854 14.306 1.00 0.00 C ATOM 850 CE3 TRP A 57 63.474 -0.245 13.393 1.00 0.00 C ATOM 851 CZ2 TRP A 57 61.585 1.823 13.509 1.00 0.00 C ATOM 852 CZ3 TRP A 57 62.329 -0.290 12.582 1.00 0.00 C ATOM 853 CH2 TRP A 57 61.381 0.741 12.644 1.00 0.00 C ATOM 0 H TRP A 57 66.468 2.729 14.985 1.00 0.00 H new ATOM 0 HA TRP A 57 67.998 0.163 14.830 1.00 0.00 H new ATOM 0 HB2 TRP A 57 65.745 -0.751 15.387 1.00 0.00 H new ATOM 0 HB3 TRP A 57 66.232 0.447 16.570 1.00 0.00 H new ATOM 0 HD1 TRP A 57 65.011 2.836 16.498 1.00 0.00 H new ATOM 0 HE1 TRP A 57 62.758 3.608 15.507 1.00 0.00 H new ATOM 0 HE3 TRP A 57 64.197 -1.046 13.343 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 60.864 2.626 13.557 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 62.178 -1.121 11.909 1.00 0.00 H new ATOM 0 HH2 TRP A 57 60.496 0.701 12.026 1.00 0.00 H new ATOM 864 N VAL A 58 66.622 1.537 12.371 1.00 0.00 N ATOM 865 CA VAL A 58 66.277 1.334 10.934 1.00 0.00 C ATOM 866 C VAL A 58 67.543 1.541 10.111 1.00 0.00 C ATOM 867 O VAL A 58 67.870 0.759 9.248 1.00 0.00 O ATOM 868 CB VAL A 58 65.199 2.329 10.494 1.00 0.00 C ATOM 869 CG1 VAL A 58 65.825 3.704 10.233 1.00 0.00 C ATOM 870 CG2 VAL A 58 64.548 1.816 9.208 1.00 0.00 C ATOM 0 H VAL A 58 66.766 2.506 12.656 1.00 0.00 H new ATOM 0 HA VAL A 58 65.886 0.327 10.785 1.00 0.00 H new ATOM 0 HB VAL A 58 64.452 2.425 11.282 1.00 0.00 H new ATOM 0 HG11 VAL A 58 65.050 4.403 9.921 1.00 0.00 H new ATOM 0 HG12 VAL A 58 66.296 4.068 11.146 1.00 0.00 H new ATOM 0 HG13 VAL A 58 66.575 3.619 9.447 1.00 0.00 H new ATOM 0 HG21 VAL A 58 63.778 2.517 8.885 1.00 0.00 H new ATOM 0 HG22 VAL A 58 65.305 1.724 8.429 1.00 0.00 H new ATOM 0 HG23 VAL A 58 64.097 0.841 9.393 1.00 0.00 H new ATOM 880 N GLN A 59 68.267 2.580 10.408 1.00 0.00 N ATOM 881 CA GLN A 59 69.533 2.855 9.693 1.00 0.00 C ATOM 882 C GLN A 59 70.287 1.538 9.553 1.00 0.00 C ATOM 883 O GLN A 59 70.958 1.281 8.577 1.00 0.00 O ATOM 884 CB GLN A 59 70.321 3.834 10.565 1.00 0.00 C ATOM 885 CG GLN A 59 71.804 3.478 10.581 1.00 0.00 C ATOM 886 CD GLN A 59 72.601 4.615 11.221 1.00 0.00 C ATOM 887 OE1 GLN A 59 73.622 5.024 10.705 1.00 0.00 O ATOM 888 NE2 GLN A 59 72.174 5.145 12.335 1.00 0.00 N ATOM 0 H GLN A 59 68.028 3.260 11.129 1.00 0.00 H new ATOM 0 HA GLN A 59 69.374 3.278 8.701 1.00 0.00 H new ATOM 0 HB2 GLN A 59 70.191 4.849 10.188 1.00 0.00 H new ATOM 0 HB3 GLN A 59 69.928 3.819 11.582 1.00 0.00 H new ATOM 0 HG2 GLN A 59 71.960 2.554 11.138 1.00 0.00 H new ATOM 0 HG3 GLN A 59 72.156 3.301 9.565 1.00 0.00 H new ATOM 0 HE21 GLN A 59 71.317 4.801 12.768 1.00 0.00 H new ATOM 0 HE22 GLN A 59 72.698 5.903 12.773 1.00 0.00 H new ATOM 897 N LYS A 60 70.173 0.717 10.548 1.00 0.00 N ATOM 898 CA LYS A 60 70.865 -0.596 10.528 1.00 0.00 C ATOM 899 C LYS A 60 70.175 -1.513 9.519 1.00 0.00 C ATOM 900 O LYS A 60 70.817 -2.185 8.739 1.00 0.00 O ATOM 901 CB LYS A 60 70.796 -1.219 11.929 1.00 0.00 C ATOM 902 CG LYS A 60 71.085 -2.723 11.855 1.00 0.00 C ATOM 903 CD LYS A 60 72.207 -3.076 12.832 1.00 0.00 C ATOM 904 CE LYS A 60 71.918 -4.435 13.468 1.00 0.00 C ATOM 905 NZ LYS A 60 72.931 -5.427 13.007 1.00 0.00 N ATOM 0 H LYS A 60 69.623 0.900 11.387 1.00 0.00 H new ATOM 0 HA LYS A 60 71.908 -0.464 10.240 1.00 0.00 H new ATOM 0 HB2 LYS A 60 71.518 -0.735 12.586 1.00 0.00 H new ATOM 0 HB3 LYS A 60 69.809 -1.052 12.361 1.00 0.00 H new ATOM 0 HG2 LYS A 60 70.186 -3.289 12.098 1.00 0.00 H new ATOM 0 HG3 LYS A 60 71.372 -2.999 10.840 1.00 0.00 H new ATOM 0 HD2 LYS A 60 73.164 -3.103 12.310 1.00 0.00 H new ATOM 0 HD3 LYS A 60 72.286 -2.310 13.604 1.00 0.00 H new ATOM 0 HE2 LYS A 60 71.943 -4.352 14.555 1.00 0.00 H new ATOM 0 HE3 LYS A 60 70.917 -4.769 13.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 73.229 -6.017 13.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 72.515 -6.030 12.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 73.756 -4.926 12.620 1.00 0.00 H new ATOM 919 N TYR A 61 68.872 -1.579 9.555 1.00 0.00 N ATOM 920 CA TYR A 61 68.155 -2.498 8.617 1.00 0.00 C ATOM 921 C TYR A 61 68.450 -2.120 7.160 1.00 0.00 C ATOM 922 O TYR A 61 68.785 -2.960 6.349 1.00 0.00 O ATOM 923 CB TYR A 61 66.648 -2.432 8.876 1.00 0.00 C ATOM 924 CG TYR A 61 66.354 -2.676 10.328 1.00 0.00 C ATOM 925 CD1 TYR A 61 67.381 -2.907 11.247 1.00 0.00 C ATOM 926 CD2 TYR A 61 65.034 -2.643 10.758 1.00 0.00 C ATOM 927 CE1 TYR A 61 67.087 -3.101 12.584 1.00 0.00 C ATOM 928 CE2 TYR A 61 64.736 -2.844 12.098 1.00 0.00 C ATOM 929 CZ TYR A 61 65.762 -3.071 13.020 1.00 0.00 C ATOM 930 OH TYR A 61 65.466 -3.261 14.353 1.00 0.00 O ATOM 0 H TYR A 61 68.275 -1.043 10.185 1.00 0.00 H new ATOM 0 HA TYR A 61 68.507 -3.515 8.790 1.00 0.00 H new ATOM 0 HB2 TYR A 61 66.264 -1.456 8.580 1.00 0.00 H new ATOM 0 HB3 TYR A 61 66.135 -3.175 8.265 1.00 0.00 H new ATOM 0 HD1 TYR A 61 68.407 -2.934 10.912 1.00 0.00 H new ATOM 0 HD2 TYR A 61 64.240 -2.461 10.049 1.00 0.00 H new ATOM 0 HE1 TYR A 61 67.884 -3.276 13.292 1.00 0.00 H new ATOM 0 HE2 TYR A 61 63.708 -2.825 12.430 1.00 0.00 H new ATOM 0 HH TYR A 61 64.495 -3.224 14.481 1.00 0.00 H new ATOM 940 N VAL A 62 68.339 -0.867 6.820 1.00 0.00 N ATOM 941 CA VAL A 62 68.618 -0.439 5.426 1.00 0.00 C ATOM 942 C VAL A 62 70.108 -0.594 5.161 1.00 0.00 C ATOM 943 O VAL A 62 70.522 -1.019 4.101 1.00 0.00 O ATOM 944 CB VAL A 62 68.225 1.029 5.268 1.00 0.00 C ATOM 945 CG1 VAL A 62 68.512 1.488 3.838 1.00 0.00 C ATOM 946 CG2 VAL A 62 66.735 1.192 5.570 1.00 0.00 C ATOM 0 H VAL A 62 68.065 -0.117 7.455 1.00 0.00 H new ATOM 0 HA VAL A 62 68.049 -1.046 4.722 1.00 0.00 H new ATOM 0 HB VAL A 62 68.805 1.636 5.963 1.00 0.00 H new ATOM 0 HG11 VAL A 62 68.231 2.535 3.729 1.00 0.00 H new ATOM 0 HG12 VAL A 62 69.575 1.374 3.626 1.00 0.00 H new ATOM 0 HG13 VAL A 62 67.935 0.882 3.139 1.00 0.00 H new ATOM 0 HG21 VAL A 62 66.453 2.239 5.458 1.00 0.00 H new ATOM 0 HG22 VAL A 62 66.155 0.584 4.876 1.00 0.00 H new ATOM 0 HG23 VAL A 62 66.533 0.870 6.592 1.00 0.00 H new ATOM 956 N SER A 63 70.922 -0.261 6.123 1.00 0.00 N ATOM 957 CA SER A 63 72.380 -0.406 5.921 1.00 0.00 C ATOM 958 C SER A 63 72.632 -1.812 5.391 1.00 0.00 C ATOM 959 O SER A 63 73.321 -2.017 4.411 1.00 0.00 O ATOM 960 CB SER A 63 73.114 -0.210 7.248 1.00 0.00 C ATOM 961 OG SER A 63 74.508 -0.405 7.048 1.00 0.00 O ATOM 0 H SER A 63 70.638 0.103 7.033 1.00 0.00 H new ATOM 0 HA SER A 63 72.745 0.341 5.217 1.00 0.00 H new ATOM 0 HB2 SER A 63 72.927 0.792 7.635 1.00 0.00 H new ATOM 0 HB3 SER A 63 72.740 -0.914 7.991 1.00 0.00 H new ATOM 0 HG SER A 63 74.981 -0.278 7.897 1.00 0.00 H new ATOM 1107 N ASP B 5 48.222 -0.611 11.112 1.00 0.00 N ATOM 1108 CA ASP B 5 47.342 0.310 10.339 1.00 0.00 C ATOM 1109 C ASP B 5 47.623 0.153 8.842 1.00 0.00 C ATOM 1110 O ASP B 5 46.886 0.643 8.010 1.00 0.00 O ATOM 1111 CB ASP B 5 47.624 1.753 10.759 1.00 0.00 C ATOM 1112 CG ASP B 5 46.303 2.471 11.032 1.00 0.00 C ATOM 1113 OD1 ASP B 5 45.486 1.916 11.748 1.00 0.00 O ATOM 1114 OD2 ASP B 5 46.130 3.565 10.519 1.00 0.00 O ATOM 0 HA ASP B 5 46.298 0.067 10.540 1.00 0.00 H new ATOM 0 HB2 ASP B 5 48.250 1.768 11.652 1.00 0.00 H new ATOM 0 HB3 ASP B 5 48.176 2.270 9.974 1.00 0.00 H new ATOM 1119 N THR B 6 48.683 -0.522 8.492 1.00 0.00 N ATOM 1120 CA THR B 6 49.005 -0.701 7.047 1.00 0.00 C ATOM 1121 C THR B 6 49.336 0.667 6.438 1.00 0.00 C ATOM 1122 O THR B 6 49.172 1.683 7.083 1.00 0.00 O ATOM 1123 CB THR B 6 47.800 -1.313 6.320 1.00 0.00 C ATOM 1124 OG1 THR B 6 47.017 -0.273 5.750 1.00 0.00 O ATOM 1125 CG2 THR B 6 46.946 -2.115 7.306 1.00 0.00 C ATOM 0 H THR B 6 49.339 -0.956 9.141 1.00 0.00 H new ATOM 0 HA THR B 6 49.860 -1.369 6.940 1.00 0.00 H new ATOM 0 HB THR B 6 48.155 -1.979 5.534 1.00 0.00 H new ATOM 0 HG1 THR B 6 46.483 0.156 6.451 1.00 0.00 H new ATOM 0 HG21 THR B 6 46.093 -2.546 6.782 1.00 0.00 H new ATOM 0 HG22 THR B 6 47.546 -2.914 7.741 1.00 0.00 H new ATOM 0 HG23 THR B 6 46.590 -1.457 8.098 1.00 0.00 H new ATOM 1133 N PRO B 7 49.799 0.652 5.213 1.00 0.00 N ATOM 1134 CA PRO B 7 50.166 1.884 4.491 1.00 0.00 C ATOM 1135 C PRO B 7 48.910 2.590 3.972 1.00 0.00 C ATOM 1136 O PRO B 7 47.801 2.140 4.186 1.00 0.00 O ATOM 1137 CB PRO B 7 51.033 1.377 3.334 1.00 0.00 C ATOM 1138 CG PRO B 7 50.653 -0.108 3.124 1.00 0.00 C ATOM 1139 CD PRO B 7 49.994 -0.586 4.433 1.00 0.00 C ATOM 0 HA PRO B 7 50.685 2.612 5.115 1.00 0.00 H new ATOM 0 HB2 PRO B 7 50.851 1.957 2.429 1.00 0.00 H new ATOM 0 HB3 PRO B 7 52.093 1.478 3.569 1.00 0.00 H new ATOM 0 HG2 PRO B 7 49.968 -0.217 2.283 1.00 0.00 H new ATOM 0 HG3 PRO B 7 51.536 -0.705 2.895 1.00 0.00 H new ATOM 0 HD2 PRO B 7 49.046 -1.089 4.241 1.00 0.00 H new ATOM 0 HD3 PRO B 7 50.630 -1.295 4.963 1.00 0.00 H new ATOM 1147 N THR B 8 49.072 3.696 3.295 1.00 0.00 N ATOM 1148 CA THR B 8 47.885 4.427 2.769 1.00 0.00 C ATOM 1149 C THR B 8 48.007 4.580 1.250 1.00 0.00 C ATOM 1150 O THR B 8 48.940 5.175 0.749 1.00 0.00 O ATOM 1151 CB THR B 8 47.812 5.811 3.421 1.00 0.00 C ATOM 1152 OG1 THR B 8 47.401 5.673 4.774 1.00 0.00 O ATOM 1153 CG2 THR B 8 46.807 6.684 2.669 1.00 0.00 C ATOM 0 H THR B 8 49.974 4.123 3.084 1.00 0.00 H new ATOM 0 HA THR B 8 46.980 3.867 3.002 1.00 0.00 H new ATOM 0 HB THR B 8 48.795 6.281 3.383 1.00 0.00 H new ATOM 0 HG1 THR B 8 47.186 6.555 5.142 1.00 0.00 H new ATOM 0 HG21 THR B 8 46.758 7.668 3.136 1.00 0.00 H new ATOM 0 HG22 THR B 8 47.123 6.791 1.631 1.00 0.00 H new ATOM 0 HG23 THR B 8 45.823 6.217 2.703 1.00 0.00 H new ATOM 1161 N ALA B 9 47.069 4.045 0.515 1.00 0.00 N ATOM 1162 CA ALA B 9 47.129 4.157 -0.970 1.00 0.00 C ATOM 1163 C ALA B 9 47.225 5.632 -1.367 1.00 0.00 C ATOM 1164 O ALA B 9 46.748 6.505 -0.670 1.00 0.00 O ATOM 1165 CB ALA B 9 45.867 3.544 -1.580 1.00 0.00 C ATOM 0 H ALA B 9 46.264 3.535 0.879 1.00 0.00 H new ATOM 0 HA ALA B 9 48.005 3.624 -1.339 1.00 0.00 H new ATOM 0 HB1 ALA B 9 45.911 3.626 -2.666 1.00 0.00 H new ATOM 0 HB2 ALA B 9 45.800 2.493 -1.298 1.00 0.00 H new ATOM 0 HB3 ALA B 9 44.990 4.075 -1.211 1.00 0.00 H new ATOM 1171 N CYS B 10 47.839 5.916 -2.485 1.00 0.00 N ATOM 1172 CA CYS B 10 47.967 7.334 -2.927 1.00 0.00 C ATOM 1173 C CYS B 10 47.857 7.404 -4.451 1.00 0.00 C ATOM 1174 O CYS B 10 47.906 6.401 -5.133 1.00 0.00 O ATOM 1175 CB CYS B 10 49.325 7.882 -2.484 1.00 0.00 C ATOM 1176 SG CYS B 10 49.113 9.547 -1.806 1.00 0.00 S ATOM 0 H CYS B 10 48.257 5.227 -3.110 1.00 0.00 H new ATOM 0 HA CYS B 10 47.172 7.930 -2.480 1.00 0.00 H new ATOM 0 HB2 CYS B 10 49.766 7.226 -1.734 1.00 0.00 H new ATOM 0 HB3 CYS B 10 50.012 7.907 -3.330 1.00 0.00 H new ATOM 1181 N CYS B 11 47.704 8.582 -4.993 1.00 0.00 N ATOM 1182 CA CYS B 11 47.588 8.711 -6.473 1.00 0.00 C ATOM 1183 C CYS B 11 47.977 10.129 -6.895 1.00 0.00 C ATOM 1184 O CYS B 11 47.285 11.084 -6.605 1.00 0.00 O ATOM 1185 CB CYS B 11 46.144 8.435 -6.897 1.00 0.00 C ATOM 1186 SG CYS B 11 46.102 7.981 -8.649 1.00 0.00 S ATOM 0 H CYS B 11 47.654 9.459 -4.475 1.00 0.00 H new ATOM 0 HA CYS B 11 48.254 7.993 -6.952 1.00 0.00 H new ATOM 0 HB2 CYS B 11 45.724 7.631 -6.292 1.00 0.00 H new ATOM 0 HB3 CYS B 11 45.529 9.318 -6.725 1.00 0.00 H new ATOM 1191 N PHE B 12 49.078 10.273 -7.581 1.00 0.00 N ATOM 1192 CA PHE B 12 49.506 11.629 -8.023 1.00 0.00 C ATOM 1193 C PHE B 12 49.537 11.683 -9.551 1.00 0.00 C ATOM 1194 O PHE B 12 50.108 12.581 -10.138 1.00 0.00 O ATOM 1195 CB PHE B 12 50.906 11.925 -7.482 1.00 0.00 C ATOM 1196 CG PHE B 12 50.870 11.961 -5.973 1.00 0.00 C ATOM 1197 CD1 PHE B 12 51.025 10.778 -5.243 1.00 0.00 C ATOM 1198 CD2 PHE B 12 50.685 13.178 -5.306 1.00 0.00 C ATOM 1199 CE1 PHE B 12 50.994 10.811 -3.843 1.00 0.00 C ATOM 1200 CE2 PHE B 12 50.654 13.210 -3.907 1.00 0.00 C ATOM 1201 CZ PHE B 12 50.809 12.027 -3.176 1.00 0.00 C ATOM 0 H PHE B 12 49.698 9.511 -7.854 1.00 0.00 H new ATOM 0 HA PHE B 12 48.802 12.370 -7.644 1.00 0.00 H new ATOM 0 HB2 PHE B 12 51.606 11.162 -7.821 1.00 0.00 H new ATOM 0 HB3 PHE B 12 51.262 12.879 -7.870 1.00 0.00 H new ATOM 0 HD1 PHE B 12 51.168 9.840 -5.758 1.00 0.00 H new ATOM 0 HD2 PHE B 12 50.566 14.091 -5.870 1.00 0.00 H new ATOM 0 HE1 PHE B 12 51.113 9.898 -3.278 1.00 0.00 H new ATOM 0 HE2 PHE B 12 50.510 14.148 -3.392 1.00 0.00 H new ATOM 0 HZ PHE B 12 50.786 12.053 -2.097 1.00 0.00 H new ATOM 1211 N SER B 13 48.934 10.728 -10.204 1.00 0.00 N ATOM 1212 CA SER B 13 48.942 10.731 -11.694 1.00 0.00 C ATOM 1213 C SER B 13 47.590 10.253 -12.225 1.00 0.00 C ATOM 1214 O SER B 13 47.252 9.090 -12.131 1.00 0.00 O ATOM 1215 CB SER B 13 50.041 9.798 -12.200 1.00 0.00 C ATOM 1216 OG SER B 13 51.035 9.655 -11.193 1.00 0.00 O ATOM 0 H SER B 13 48.438 9.948 -9.772 1.00 0.00 H new ATOM 0 HA SER B 13 49.129 11.745 -12.047 1.00 0.00 H new ATOM 0 HB2 SER B 13 49.620 8.825 -12.453 1.00 0.00 H new ATOM 0 HB3 SER B 13 50.485 10.200 -13.111 1.00 0.00 H new ATOM 0 HG SER B 13 51.906 9.494 -11.613 1.00 0.00 H new ATOM 1222 N TYR B 14 46.821 11.138 -12.795 1.00 0.00 N ATOM 1223 CA TYR B 14 45.497 10.729 -13.345 1.00 0.00 C ATOM 1224 C TYR B 14 45.614 10.623 -14.868 1.00 0.00 C ATOM 1225 O TYR B 14 46.643 10.923 -15.437 1.00 0.00 O ATOM 1226 CB TYR B 14 44.425 11.759 -12.963 1.00 0.00 C ATOM 1227 CG TYR B 14 44.812 12.436 -11.667 1.00 0.00 C ATOM 1228 CD1 TYR B 14 45.380 11.687 -10.627 1.00 0.00 C ATOM 1229 CD2 TYR B 14 44.607 13.812 -11.506 1.00 0.00 C ATOM 1230 CE1 TYR B 14 45.740 12.314 -9.427 1.00 0.00 C ATOM 1231 CE2 TYR B 14 44.968 14.438 -10.305 1.00 0.00 C ATOM 1232 CZ TYR B 14 45.534 13.689 -9.267 1.00 0.00 C ATOM 1233 OH TYR B 14 45.888 14.305 -8.083 1.00 0.00 O ATOM 0 H TYR B 14 47.051 12.126 -12.904 1.00 0.00 H new ATOM 0 HA TYR B 14 45.204 9.765 -12.930 1.00 0.00 H new ATOM 0 HB2 TYR B 14 44.320 12.500 -13.755 1.00 0.00 H new ATOM 0 HB3 TYR B 14 43.457 11.269 -12.854 1.00 0.00 H new ATOM 0 HD1 TYR B 14 45.540 10.626 -10.751 1.00 0.00 H new ATOM 0 HD2 TYR B 14 44.171 14.391 -12.307 1.00 0.00 H new ATOM 0 HE1 TYR B 14 46.176 11.736 -8.626 1.00 0.00 H new ATOM 0 HE2 TYR B 14 44.809 15.499 -10.181 1.00 0.00 H new ATOM 0 HH TYR B 14 45.680 15.261 -8.137 1.00 0.00 H new ATOM 1243 N THR B 15 44.583 10.180 -15.532 1.00 0.00 N ATOM 1244 CA THR B 15 44.665 10.041 -17.014 1.00 0.00 C ATOM 1245 C THR B 15 43.984 11.223 -17.705 1.00 0.00 C ATOM 1246 O THR B 15 42.845 11.543 -17.430 1.00 0.00 O ATOM 1247 CB THR B 15 43.963 8.751 -17.440 1.00 0.00 C ATOM 1248 OG1 THR B 15 43.866 8.715 -18.857 1.00 0.00 O ATOM 1249 CG2 THR B 15 42.560 8.707 -16.831 1.00 0.00 C ATOM 0 H THR B 15 43.692 9.909 -15.116 1.00 0.00 H new ATOM 0 HA THR B 15 45.716 10.016 -17.303 1.00 0.00 H new ATOM 0 HB THR B 15 44.536 7.892 -17.091 1.00 0.00 H new ATOM 0 HG1 THR B 15 42.958 8.451 -19.116 1.00 0.00 H new ATOM 0 HG21 THR B 15 42.060 7.787 -17.135 1.00 0.00 H new ATOM 0 HG22 THR B 15 42.634 8.738 -15.744 1.00 0.00 H new ATOM 0 HG23 THR B 15 41.985 9.565 -17.180 1.00 0.00 H new ATOM 1257 N SER B 16 44.661 11.856 -18.625 1.00 0.00 N ATOM 1258 CA SER B 16 44.031 12.991 -19.352 1.00 0.00 C ATOM 1259 C SER B 16 42.774 12.460 -20.038 1.00 0.00 C ATOM 1260 O SER B 16 41.692 12.992 -19.885 1.00 0.00 O ATOM 1261 CB SER B 16 45.004 13.535 -20.398 1.00 0.00 C ATOM 1262 OG SER B 16 44.299 14.370 -21.305 1.00 0.00 O ATOM 0 H SER B 16 45.618 11.637 -18.902 1.00 0.00 H new ATOM 0 HA SER B 16 43.778 13.797 -18.663 1.00 0.00 H new ATOM 0 HB2 SER B 16 45.801 14.098 -19.912 1.00 0.00 H new ATOM 0 HB3 SER B 16 45.476 12.712 -20.935 1.00 0.00 H new ATOM 0 HG SER B 16 44.920 14.722 -21.976 1.00 0.00 H new ATOM 1268 N ARG B 17 42.911 11.388 -20.772 1.00 0.00 N ATOM 1269 CA ARG B 17 41.731 10.781 -21.447 1.00 0.00 C ATOM 1270 C ARG B 17 41.217 9.642 -20.562 1.00 0.00 C ATOM 1271 O ARG B 17 41.935 8.707 -20.269 1.00 0.00 O ATOM 1272 CB ARG B 17 42.149 10.230 -22.813 1.00 0.00 C ATOM 1273 CG ARG B 17 40.951 10.258 -23.763 1.00 0.00 C ATOM 1274 CD ARG B 17 41.124 11.395 -24.772 1.00 0.00 C ATOM 1275 NE ARG B 17 42.017 10.946 -25.877 1.00 0.00 N ATOM 1276 CZ ARG B 17 42.391 11.789 -26.799 1.00 0.00 C ATOM 1277 NH1 ARG B 17 42.417 13.069 -26.544 1.00 0.00 N ATOM 1278 NH2 ARG B 17 42.741 11.354 -27.977 1.00 0.00 N ATOM 0 H ARG B 17 43.795 10.905 -20.933 1.00 0.00 H new ATOM 0 HA ARG B 17 40.950 11.526 -21.596 1.00 0.00 H new ATOM 0 HB2 ARG B 17 42.965 10.825 -23.223 1.00 0.00 H new ATOM 0 HB3 ARG B 17 42.519 9.210 -22.708 1.00 0.00 H new ATOM 0 HG2 ARG B 17 40.865 9.305 -24.285 1.00 0.00 H new ATOM 0 HG3 ARG B 17 40.029 10.396 -23.198 1.00 0.00 H new ATOM 0 HD2 ARG B 17 40.154 11.692 -25.171 1.00 0.00 H new ATOM 0 HD3 ARG B 17 41.548 12.271 -24.280 1.00 0.00 H new ATOM 0 HE ARG B 17 42.336 9.978 -25.912 1.00 0.00 H new ATOM 0 HH11 ARG B 17 42.145 13.411 -25.622 1.00 0.00 H new ATOM 0 HH12 ARG B 17 42.710 13.727 -27.266 1.00 0.00 H new ATOM 0 HH21 ARG B 17 42.722 10.354 -28.178 1.00 0.00 H new ATOM 0 HH22 ARG B 17 43.033 12.014 -28.698 1.00 0.00 H new ATOM 1292 N GLN B 18 39.998 9.729 -20.106 1.00 0.00 N ATOM 1293 CA GLN B 18 39.457 8.668 -19.209 1.00 0.00 C ATOM 1294 C GLN B 18 39.721 7.270 -19.748 1.00 0.00 C ATOM 1295 O GLN B 18 40.382 7.057 -20.745 1.00 0.00 O ATOM 1296 CB GLN B 18 37.945 8.814 -19.031 1.00 0.00 C ATOM 1297 CG GLN B 18 37.317 9.541 -20.219 1.00 0.00 C ATOM 1298 CD GLN B 18 36.076 8.771 -20.681 1.00 0.00 C ATOM 1299 OE1 GLN B 18 34.987 9.309 -20.708 1.00 0.00 O ATOM 1300 NE2 GLN B 18 36.198 7.525 -21.048 1.00 0.00 N ATOM 0 H GLN B 18 39.352 10.490 -20.316 1.00 0.00 H new ATOM 0 HA GLN B 18 39.970 8.795 -18.256 1.00 0.00 H new ATOM 0 HB2 GLN B 18 37.492 7.828 -18.923 1.00 0.00 H new ATOM 0 HB3 GLN B 18 37.735 9.363 -18.113 1.00 0.00 H new ATOM 0 HG2 GLN B 18 37.045 10.558 -19.936 1.00 0.00 H new ATOM 0 HG3 GLN B 18 38.036 9.619 -21.035 1.00 0.00 H new ATOM 0 HE21 GLN B 18 37.113 7.074 -21.025 1.00 0.00 H new ATOM 0 HE22 GLN B 18 35.379 7.002 -21.358 1.00 0.00 H new ATOM 1309 N ILE B 19 39.145 6.329 -19.072 1.00 0.00 N ATOM 1310 CA ILE B 19 39.231 4.918 -19.428 1.00 0.00 C ATOM 1311 C ILE B 19 37.793 4.427 -19.310 1.00 0.00 C ATOM 1312 O ILE B 19 37.233 4.408 -18.233 1.00 0.00 O ATOM 1313 CB ILE B 19 40.128 4.176 -18.432 1.00 0.00 C ATOM 1314 CG1 ILE B 19 40.137 4.915 -17.080 1.00 0.00 C ATOM 1315 CG2 ILE B 19 41.552 4.087 -18.985 1.00 0.00 C ATOM 1316 CD1 ILE B 19 41.198 6.023 -17.079 1.00 0.00 C ATOM 0 H ILE B 19 38.586 6.506 -18.237 1.00 0.00 H new ATOM 0 HA ILE B 19 39.656 4.753 -20.418 1.00 0.00 H new ATOM 0 HB ILE B 19 39.738 3.169 -18.283 1.00 0.00 H new ATOM 0 HG12 ILE B 19 39.154 5.345 -16.888 1.00 0.00 H new ATOM 0 HG13 ILE B 19 40.339 4.209 -16.275 1.00 0.00 H new ATOM 0 HG21 ILE B 19 42.186 3.559 -18.273 1.00 0.00 H new ATOM 0 HG22 ILE B 19 41.541 3.547 -19.932 1.00 0.00 H new ATOM 0 HG23 ILE B 19 41.944 5.092 -19.144 1.00 0.00 H new ATOM 0 HD11 ILE B 19 41.190 6.534 -16.116 1.00 0.00 H new ATOM 0 HD12 ILE B 19 42.182 5.585 -17.249 1.00 0.00 H new ATOM 0 HD13 ILE B 19 40.978 6.738 -17.871 1.00 0.00 H new ATOM 1328 N PRO B 20 37.220 4.101 -20.416 1.00 0.00 N ATOM 1329 CA PRO B 20 35.819 3.667 -20.473 1.00 0.00 C ATOM 1330 C PRO B 20 35.590 2.406 -19.645 1.00 0.00 C ATOM 1331 O PRO B 20 36.485 1.622 -19.413 1.00 0.00 O ATOM 1332 CB PRO B 20 35.568 3.478 -21.970 1.00 0.00 C ATOM 1333 CG PRO B 20 36.963 3.339 -22.614 1.00 0.00 C ATOM 1334 CD PRO B 20 37.920 4.085 -21.705 1.00 0.00 C ATOM 0 HA PRO B 20 35.120 4.382 -20.039 1.00 0.00 H new ATOM 0 HB2 PRO B 20 34.961 2.592 -22.156 1.00 0.00 H new ATOM 0 HB3 PRO B 20 35.028 4.328 -22.387 1.00 0.00 H new ATOM 0 HG2 PRO B 20 37.248 2.291 -22.704 1.00 0.00 H new ATOM 0 HG3 PRO B 20 36.972 3.760 -23.619 1.00 0.00 H new ATOM 0 HD2 PRO B 20 38.883 3.579 -21.633 1.00 0.00 H new ATOM 0 HD3 PRO B 20 38.116 5.094 -22.069 1.00 0.00 H new ATOM 1342 N GLN B 21 34.394 2.237 -19.164 1.00 0.00 N ATOM 1343 CA GLN B 21 34.079 1.060 -18.315 1.00 0.00 C ATOM 1344 C GLN B 21 34.709 -0.205 -18.910 1.00 0.00 C ATOM 1345 O GLN B 21 34.975 -1.160 -18.208 1.00 0.00 O ATOM 1346 CB GLN B 21 32.558 0.898 -18.233 1.00 0.00 C ATOM 1347 CG GLN B 21 32.003 1.864 -17.181 1.00 0.00 C ATOM 1348 CD GLN B 21 30.771 1.244 -16.519 1.00 0.00 C ATOM 1349 OE1 GLN B 21 29.676 1.337 -17.035 1.00 0.00 O ATOM 1350 NE2 GLN B 21 30.906 0.607 -15.387 1.00 0.00 N ATOM 0 H GLN B 21 33.612 2.872 -19.325 1.00 0.00 H new ATOM 0 HA GLN B 21 34.487 1.212 -17.316 1.00 0.00 H new ATOM 0 HB2 GLN B 21 32.106 1.101 -19.204 1.00 0.00 H new ATOM 0 HB3 GLN B 21 32.304 -0.129 -17.971 1.00 0.00 H new ATOM 0 HG2 GLN B 21 32.764 2.077 -16.430 1.00 0.00 H new ATOM 0 HG3 GLN B 21 31.740 2.814 -17.647 1.00 0.00 H new ATOM 0 HE21 GLN B 21 31.826 0.528 -14.953 1.00 0.00 H new ATOM 0 HE22 GLN B 21 30.092 0.188 -14.937 1.00 0.00 H new ATOM 1359 N ASN B 22 34.952 -0.223 -20.193 1.00 0.00 N ATOM 1360 CA ASN B 22 35.567 -1.433 -20.814 1.00 0.00 C ATOM 1361 C ASN B 22 37.087 -1.398 -20.625 1.00 0.00 C ATOM 1362 O ASN B 22 37.709 -2.405 -20.349 1.00 0.00 O ATOM 1363 CB ASN B 22 35.241 -1.463 -22.308 1.00 0.00 C ATOM 1364 CG ASN B 22 35.906 -2.683 -22.947 1.00 0.00 C ATOM 1365 OD1 ASN B 22 36.098 -3.693 -22.298 1.00 0.00 O ATOM 1366 ND2 ASN B 22 36.268 -2.633 -24.199 1.00 0.00 N ATOM 0 H ASN B 22 34.753 0.543 -20.836 1.00 0.00 H new ATOM 0 HA ASN B 22 35.165 -2.325 -20.334 1.00 0.00 H new ATOM 0 HB2 ASN B 22 34.162 -1.504 -22.456 1.00 0.00 H new ATOM 0 HB3 ASN B 22 35.594 -0.550 -22.787 1.00 0.00 H new ATOM 0 HD21 ASN B 22 36.712 -3.441 -24.634 1.00 0.00 H new ATOM 0 HD22 ASN B 22 36.107 -1.785 -24.743 1.00 0.00 H new ATOM 1373 N PHE B 23 37.691 -0.247 -20.768 1.00 0.00 N ATOM 1374 CA PHE B 23 39.169 -0.150 -20.597 1.00 0.00 C ATOM 1375 C PHE B 23 39.516 -0.176 -19.106 1.00 0.00 C ATOM 1376 O PHE B 23 40.662 -0.033 -18.723 1.00 0.00 O ATOM 1377 CB PHE B 23 39.663 1.165 -21.207 1.00 0.00 C ATOM 1378 CG PHE B 23 40.843 0.892 -22.107 1.00 0.00 C ATOM 1379 CD1 PHE B 23 40.634 0.562 -23.451 1.00 0.00 C ATOM 1380 CD2 PHE B 23 42.143 0.971 -21.598 1.00 0.00 C ATOM 1381 CE1 PHE B 23 41.728 0.310 -24.287 1.00 0.00 C ATOM 1382 CE2 PHE B 23 43.238 0.719 -22.434 1.00 0.00 C ATOM 1383 CZ PHE B 23 43.030 0.388 -23.778 1.00 0.00 C ATOM 0 H PHE B 23 37.223 0.630 -20.996 1.00 0.00 H new ATOM 0 HA PHE B 23 39.648 -0.992 -21.097 1.00 0.00 H new ATOM 0 HB2 PHE B 23 38.862 1.638 -21.774 1.00 0.00 H new ATOM 0 HB3 PHE B 23 39.948 1.860 -20.417 1.00 0.00 H new ATOM 0 HD1 PHE B 23 39.629 0.502 -23.843 1.00 0.00 H new ATOM 0 HD2 PHE B 23 42.303 1.226 -20.561 1.00 0.00 H new ATOM 0 HE1 PHE B 23 41.568 0.055 -25.324 1.00 0.00 H new ATOM 0 HE2 PHE B 23 44.242 0.780 -22.042 1.00 0.00 H new ATOM 0 HZ PHE B 23 43.874 0.193 -24.423 1.00 0.00 H new ATOM 1393 N ILE B 24 38.538 -0.349 -18.259 1.00 0.00 N ATOM 1394 CA ILE B 24 38.811 -0.373 -16.798 1.00 0.00 C ATOM 1395 C ILE B 24 38.341 -1.705 -16.211 1.00 0.00 C ATOM 1396 O ILE B 24 37.674 -2.488 -16.857 1.00 0.00 O ATOM 1397 CB ILE B 24 38.059 0.800 -16.140 1.00 0.00 C ATOM 1398 CG1 ILE B 24 39.026 1.957 -15.928 1.00 0.00 C ATOM 1399 CG2 ILE B 24 37.460 0.407 -14.781 1.00 0.00 C ATOM 1400 CD1 ILE B 24 38.219 3.207 -15.610 1.00 0.00 C ATOM 0 H ILE B 24 37.560 -0.475 -18.519 1.00 0.00 H new ATOM 0 HA ILE B 24 39.880 -0.271 -16.610 1.00 0.00 H new ATOM 0 HB ILE B 24 37.243 1.086 -16.804 1.00 0.00 H new ATOM 0 HG12 ILE B 24 39.713 1.732 -15.112 1.00 0.00 H new ATOM 0 HG13 ILE B 24 39.631 2.114 -16.821 1.00 0.00 H new ATOM 0 HG21 ILE B 24 36.939 1.263 -14.352 1.00 0.00 H new ATOM 0 HG22 ILE B 24 36.757 -0.415 -14.917 1.00 0.00 H new ATOM 0 HG23 ILE B 24 38.258 0.094 -14.108 1.00 0.00 H new ATOM 0 HD11 ILE B 24 38.896 4.047 -15.455 1.00 0.00 H new ATOM 0 HD12 ILE B 24 37.549 3.429 -16.441 1.00 0.00 H new ATOM 0 HD13 ILE B 24 37.633 3.041 -14.706 1.00 0.00 H new ATOM 1412 N ALA B 25 38.675 -1.949 -14.977 1.00 0.00 N ATOM 1413 CA ALA B 25 38.246 -3.207 -14.320 1.00 0.00 C ATOM 1414 C ALA B 25 37.876 -2.905 -12.867 1.00 0.00 C ATOM 1415 O ALA B 25 36.831 -3.293 -12.388 1.00 0.00 O ATOM 1416 CB ALA B 25 39.389 -4.223 -14.358 1.00 0.00 C ATOM 0 H ALA B 25 39.231 -1.325 -14.393 1.00 0.00 H new ATOM 0 HA ALA B 25 37.384 -3.621 -14.843 1.00 0.00 H new ATOM 0 HB1 ALA B 25 39.071 -5.147 -13.874 1.00 0.00 H new ATOM 0 HB2 ALA B 25 39.658 -4.430 -15.394 1.00 0.00 H new ATOM 0 HB3 ALA B 25 40.254 -3.818 -13.833 1.00 0.00 H new ATOM 1422 N ALA B 26 38.732 -2.216 -12.160 1.00 0.00 N ATOM 1423 CA ALA B 26 38.434 -1.885 -10.737 1.00 0.00 C ATOM 1424 C ALA B 26 38.055 -0.401 -10.603 1.00 0.00 C ATOM 1425 O ALA B 26 37.450 0.180 -11.482 1.00 0.00 O ATOM 1426 CB ALA B 26 39.666 -2.196 -9.887 1.00 0.00 C ATOM 0 H ALA B 26 39.626 -1.868 -12.508 1.00 0.00 H new ATOM 0 HA ALA B 26 37.591 -2.484 -10.392 1.00 0.00 H new ATOM 0 HB1 ALA B 26 39.458 -1.957 -8.844 1.00 0.00 H new ATOM 0 HB2 ALA B 26 39.911 -3.254 -9.975 1.00 0.00 H new ATOM 0 HB3 ALA B 26 40.508 -1.598 -10.235 1.00 0.00 H new ATOM 1432 N TYR B 27 38.429 0.215 -9.508 1.00 0.00 N ATOM 1433 CA TYR B 27 38.128 1.661 -9.293 1.00 0.00 C ATOM 1434 C TYR B 27 38.689 2.079 -7.929 1.00 0.00 C ATOM 1435 O TYR B 27 39.382 3.066 -7.795 1.00 0.00 O ATOM 1436 CB TYR B 27 36.617 1.907 -9.311 1.00 0.00 C ATOM 1437 CG TYR B 27 35.940 0.974 -8.341 1.00 0.00 C ATOM 1438 CD1 TYR B 27 35.594 -0.320 -8.743 1.00 0.00 C ATOM 1439 CD2 TYR B 27 35.654 1.405 -7.040 1.00 0.00 C ATOM 1440 CE1 TYR B 27 34.961 -1.186 -7.842 1.00 0.00 C ATOM 1441 CE2 TYR B 27 35.023 0.540 -6.140 1.00 0.00 C ATOM 1442 CZ TYR B 27 34.675 -0.755 -6.540 1.00 0.00 C ATOM 1443 OH TYR B 27 34.053 -1.609 -5.653 1.00 0.00 O ATOM 0 H TYR B 27 38.937 -0.231 -8.745 1.00 0.00 H new ATOM 0 HA TYR B 27 38.585 2.244 -10.093 1.00 0.00 H new ATOM 0 HB2 TYR B 27 36.404 2.942 -9.044 1.00 0.00 H new ATOM 0 HB3 TYR B 27 36.225 1.750 -10.316 1.00 0.00 H new ATOM 0 HD1 TYR B 27 35.815 -0.651 -9.747 1.00 0.00 H new ATOM 0 HD2 TYR B 27 35.921 2.405 -6.731 1.00 0.00 H new ATOM 0 HE1 TYR B 27 34.694 -2.186 -8.151 1.00 0.00 H new ATOM 0 HE2 TYR B 27 34.804 0.872 -5.136 1.00 0.00 H new ATOM 0 HH TYR B 27 33.929 -1.154 -4.794 1.00 0.00 H new ATOM 1453 N PHE B 28 38.392 1.330 -6.910 1.00 0.00 N ATOM 1454 CA PHE B 28 38.905 1.680 -5.558 1.00 0.00 C ATOM 1455 C PHE B 28 38.564 3.138 -5.266 1.00 0.00 C ATOM 1456 O PHE B 28 37.948 3.809 -6.069 1.00 0.00 O ATOM 1457 CB PHE B 28 40.424 1.499 -5.521 1.00 0.00 C ATOM 1458 CG PHE B 28 40.787 0.132 -6.045 1.00 0.00 C ATOM 1459 CD1 PHE B 28 40.698 -0.985 -5.206 1.00 0.00 C ATOM 1460 CD2 PHE B 28 41.216 -0.019 -7.369 1.00 0.00 C ATOM 1461 CE1 PHE B 28 41.038 -2.253 -5.692 1.00 0.00 C ATOM 1462 CE2 PHE B 28 41.558 -1.286 -7.854 1.00 0.00 C ATOM 1463 CZ PHE B 28 41.468 -2.404 -7.015 1.00 0.00 C ATOM 0 H PHE B 28 37.816 0.489 -6.953 1.00 0.00 H new ATOM 0 HA PHE B 28 38.448 1.031 -4.811 1.00 0.00 H new ATOM 0 HB2 PHE B 28 40.906 2.269 -6.123 1.00 0.00 H new ATOM 0 HB3 PHE B 28 40.789 1.616 -4.501 1.00 0.00 H new ATOM 0 HD1 PHE B 28 40.367 -0.869 -4.184 1.00 0.00 H new ATOM 0 HD2 PHE B 28 41.283 0.843 -8.016 1.00 0.00 H new ATOM 0 HE1 PHE B 28 40.968 -3.115 -5.045 1.00 0.00 H new ATOM 0 HE2 PHE B 28 41.891 -1.402 -8.875 1.00 0.00 H new ATOM 0 HZ PHE B 28 41.730 -3.383 -7.389 1.00 0.00 H new ATOM 1473 N GLU B 29 38.959 3.640 -4.131 1.00 0.00 N ATOM 1474 CA GLU B 29 38.647 5.057 -3.818 1.00 0.00 C ATOM 1475 C GLU B 29 39.659 5.611 -2.827 1.00 0.00 C ATOM 1476 O GLU B 29 39.314 6.259 -1.859 1.00 0.00 O ATOM 1477 CB GLU B 29 37.241 5.148 -3.233 1.00 0.00 C ATOM 1478 CG GLU B 29 37.074 4.070 -2.161 1.00 0.00 C ATOM 1479 CD GLU B 29 36.354 4.660 -0.949 1.00 0.00 C ATOM 1480 OE1 GLU B 29 36.849 5.634 -0.408 1.00 0.00 O ATOM 1481 OE2 GLU B 29 35.319 4.128 -0.582 1.00 0.00 O ATOM 0 H GLU B 29 39.479 3.135 -3.414 1.00 0.00 H new ATOM 0 HA GLU B 29 38.698 5.646 -4.733 1.00 0.00 H new ATOM 0 HB2 GLU B 29 37.076 6.136 -2.802 1.00 0.00 H new ATOM 0 HB3 GLU B 29 36.497 5.015 -4.019 1.00 0.00 H new ATOM 0 HG2 GLU B 29 36.506 3.230 -2.561 1.00 0.00 H new ATOM 0 HG3 GLU B 29 38.049 3.683 -1.865 1.00 0.00 H new ATOM 1488 N THR B 30 40.911 5.388 -3.092 1.00 0.00 N ATOM 1489 CA THR B 30 41.974 5.927 -2.197 1.00 0.00 C ATOM 1490 C THR B 30 41.551 5.784 -0.731 1.00 0.00 C ATOM 1491 O THR B 30 40.888 4.839 -0.355 1.00 0.00 O ATOM 1492 CB THR B 30 42.147 7.403 -2.541 1.00 0.00 C ATOM 1493 OG1 THR B 30 40.918 8.063 -2.276 1.00 0.00 O ATOM 1494 CG2 THR B 30 42.493 7.526 -4.026 1.00 0.00 C ATOM 0 H THR B 30 41.249 4.854 -3.892 1.00 0.00 H new ATOM 0 HA THR B 30 42.907 5.381 -2.336 1.00 0.00 H new ATOM 0 HB THR B 30 42.945 7.851 -1.949 1.00 0.00 H new ATOM 0 HG1 THR B 30 40.373 7.511 -1.677 1.00 0.00 H new ATOM 0 HG21 THR B 30 42.619 8.577 -4.284 1.00 0.00 H new ATOM 0 HG22 THR B 30 43.419 6.989 -4.230 1.00 0.00 H new ATOM 0 HG23 THR B 30 41.687 7.100 -4.624 1.00 0.00 H new ATOM 1502 N SER B 31 41.925 6.722 0.098 1.00 0.00 N ATOM 1503 CA SER B 31 41.541 6.651 1.534 1.00 0.00 C ATOM 1504 C SER B 31 41.264 8.066 2.048 1.00 0.00 C ATOM 1505 O SER B 31 41.136 8.997 1.279 1.00 0.00 O ATOM 1506 CB SER B 31 42.680 6.024 2.339 1.00 0.00 C ATOM 1507 OG SER B 31 42.136 5.308 3.439 1.00 0.00 O ATOM 0 H SER B 31 42.482 7.536 -0.161 1.00 0.00 H new ATOM 0 HA SER B 31 40.646 6.039 1.646 1.00 0.00 H new ATOM 0 HB2 SER B 31 43.263 5.354 1.706 1.00 0.00 H new ATOM 0 HB3 SER B 31 43.360 6.799 2.694 1.00 0.00 H new ATOM 0 HG SER B 31 42.863 4.903 3.957 1.00 0.00 H new ATOM 1513 N SER B 32 41.171 8.237 3.337 1.00 0.00 N ATOM 1514 CA SER B 32 40.902 9.597 3.886 1.00 0.00 C ATOM 1515 C SER B 32 42.212 10.216 4.378 1.00 0.00 C ATOM 1516 O SER B 32 42.221 11.049 5.263 1.00 0.00 O ATOM 1517 CB SER B 32 39.916 9.492 5.049 1.00 0.00 C ATOM 1518 OG SER B 32 38.623 9.188 4.542 1.00 0.00 O ATOM 0 H SER B 32 41.269 7.498 4.033 1.00 0.00 H new ATOM 0 HA SER B 32 40.474 10.227 3.106 1.00 0.00 H new ATOM 0 HB2 SER B 32 40.238 8.717 5.745 1.00 0.00 H new ATOM 0 HB3 SER B 32 39.890 10.429 5.605 1.00 0.00 H new ATOM 0 HG SER B 32 37.988 9.118 5.285 1.00 0.00 H new ATOM 1524 N GLN B 33 43.318 9.815 3.813 1.00 0.00 N ATOM 1525 CA GLN B 33 44.626 10.379 4.253 1.00 0.00 C ATOM 1526 C GLN B 33 45.344 11.015 3.059 1.00 0.00 C ATOM 1527 O GLN B 33 45.717 12.171 3.092 1.00 0.00 O ATOM 1528 CB GLN B 33 45.494 9.259 4.830 1.00 0.00 C ATOM 1529 CG GLN B 33 45.226 9.129 6.331 1.00 0.00 C ATOM 1530 CD GLN B 33 45.562 10.450 7.026 1.00 0.00 C ATOM 1531 OE1 GLN B 33 46.708 10.854 7.068 1.00 0.00 O ATOM 1532 NE2 GLN B 33 44.605 11.147 7.575 1.00 0.00 N ATOM 0 H GLN B 33 43.373 9.122 3.067 1.00 0.00 H new ATOM 0 HA GLN B 33 44.453 11.139 5.015 1.00 0.00 H new ATOM 0 HB2 GLN B 33 45.273 8.317 4.327 1.00 0.00 H new ATOM 0 HB3 GLN B 33 46.548 9.474 4.655 1.00 0.00 H new ATOM 0 HG2 GLN B 33 44.181 8.871 6.504 1.00 0.00 H new ATOM 0 HG3 GLN B 33 45.827 8.322 6.750 1.00 0.00 H new ATOM 0 HE21 GLN B 33 43.643 10.809 7.540 1.00 0.00 H new ATOM 0 HE22 GLN B 33 44.819 12.030 8.039 1.00 0.00 H new ATOM 1541 N CYS B 34 45.547 10.268 2.008 1.00 0.00 N ATOM 1542 CA CYS B 34 46.248 10.830 0.817 1.00 0.00 C ATOM 1543 C CYS B 34 45.342 11.848 0.118 1.00 0.00 C ATOM 1544 O CYS B 34 44.185 11.999 0.456 1.00 0.00 O ATOM 1545 CB CYS B 34 46.585 9.698 -0.155 1.00 0.00 C ATOM 1546 SG CYS B 34 48.327 9.241 0.028 1.00 0.00 S ATOM 0 H CYS B 34 45.258 9.294 1.922 1.00 0.00 H new ATOM 0 HA CYS B 34 47.166 11.323 1.137 1.00 0.00 H new ATOM 0 HB2 CYS B 34 45.949 8.835 0.042 1.00 0.00 H new ATOM 0 HB3 CYS B 34 46.387 10.013 -1.179 1.00 0.00 H new ATOM 1551 N SER B 35 45.861 12.545 -0.857 1.00 0.00 N ATOM 1552 CA SER B 35 45.031 13.550 -1.581 1.00 0.00 C ATOM 1553 C SER B 35 44.347 12.876 -2.772 1.00 0.00 C ATOM 1554 O SER B 35 44.423 13.347 -3.889 1.00 0.00 O ATOM 1555 CB SER B 35 45.926 14.683 -2.085 1.00 0.00 C ATOM 1556 OG SER B 35 47.289 14.320 -1.907 1.00 0.00 O ATOM 0 H SER B 35 46.824 12.462 -1.183 1.00 0.00 H new ATOM 0 HA SER B 35 44.277 13.955 -0.906 1.00 0.00 H new ATOM 0 HB2 SER B 35 45.725 14.880 -3.138 1.00 0.00 H new ATOM 0 HB3 SER B 35 45.709 15.603 -1.542 1.00 0.00 H new ATOM 0 HG SER B 35 47.865 15.044 -2.231 1.00 0.00 H new ATOM 1562 N LYS B 36 43.689 11.771 -2.534 1.00 0.00 N ATOM 1563 CA LYS B 36 42.995 11.038 -3.629 1.00 0.00 C ATOM 1564 C LYS B 36 42.432 12.001 -4.681 1.00 0.00 C ATOM 1565 O LYS B 36 41.917 13.049 -4.347 1.00 0.00 O ATOM 1566 CB LYS B 36 41.836 10.258 -3.026 1.00 0.00 C ATOM 1567 CG LYS B 36 40.735 11.228 -2.593 1.00 0.00 C ATOM 1568 CD LYS B 36 39.804 10.534 -1.596 1.00 0.00 C ATOM 1569 CE LYS B 36 38.634 11.461 -1.260 1.00 0.00 C ATOM 1570 NZ LYS B 36 39.057 12.427 -0.205 1.00 0.00 N ATOM 0 H LYS B 36 43.603 11.341 -1.613 1.00 0.00 H new ATOM 0 HA LYS B 36 43.715 10.378 -4.113 1.00 0.00 H new ATOM 0 HB2 LYS B 36 41.444 9.549 -3.755 1.00 0.00 H new ATOM 0 HB3 LYS B 36 42.181 9.678 -2.170 1.00 0.00 H new ATOM 0 HG2 LYS B 36 41.176 12.115 -2.138 1.00 0.00 H new ATOM 0 HG3 LYS B 36 40.169 11.563 -3.462 1.00 0.00 H new ATOM 0 HD2 LYS B 36 39.432 9.600 -2.018 1.00 0.00 H new ATOM 0 HD3 LYS B 36 40.351 10.278 -0.689 1.00 0.00 H new ATOM 0 HE2 LYS B 36 38.312 11.998 -2.153 1.00 0.00 H new ATOM 0 HE3 LYS B 36 37.781 10.878 -0.914 1.00 0.00 H new ATOM 0 HZ1 LYS B 36 38.264 13.059 0.026 1.00 0.00 H new ATOM 0 HZ2 LYS B 36 39.344 11.906 0.648 1.00 0.00 H new ATOM 0 HZ3 LYS B 36 39.859 12.991 -0.552 1.00 0.00 H new ATOM 1584 N PRO B 37 42.525 11.597 -5.924 1.00 0.00 N ATOM 1585 CA PRO B 37 42.008 12.382 -7.054 1.00 0.00 C ATOM 1586 C PRO B 37 40.504 12.137 -7.197 1.00 0.00 C ATOM 1587 O PRO B 37 39.720 13.056 -7.313 1.00 0.00 O ATOM 1588 CB PRO B 37 42.760 11.816 -8.259 1.00 0.00 C ATOM 1589 CG PRO B 37 43.216 10.391 -7.859 1.00 0.00 C ATOM 1590 CD PRO B 37 43.166 10.325 -6.322 1.00 0.00 C ATOM 0 HA PRO B 37 42.148 13.457 -6.940 1.00 0.00 H new ATOM 0 HB2 PRO B 37 42.117 11.786 -9.139 1.00 0.00 H new ATOM 0 HB3 PRO B 37 43.616 12.441 -8.511 1.00 0.00 H new ATOM 0 HG2 PRO B 37 42.563 9.638 -8.300 1.00 0.00 H new ATOM 0 HG3 PRO B 37 44.224 10.191 -8.222 1.00 0.00 H new ATOM 0 HD2 PRO B 37 42.591 9.465 -5.979 1.00 0.00 H new ATOM 0 HD3 PRO B 37 44.164 10.232 -5.895 1.00 0.00 H new ATOM 1598 N GLY B 38 40.100 10.894 -7.183 1.00 0.00 N ATOM 1599 CA GLY B 38 38.651 10.572 -7.315 1.00 0.00 C ATOM 1600 C GLY B 38 38.458 9.052 -7.288 1.00 0.00 C ATOM 1601 O GLY B 38 37.451 8.554 -6.826 1.00 0.00 O ATOM 0 H GLY B 38 40.715 10.086 -7.085 1.00 0.00 H new ATOM 0 HA2 GLY B 38 38.090 11.034 -6.503 1.00 0.00 H new ATOM 0 HA3 GLY B 38 38.260 10.982 -8.246 1.00 0.00 H new ATOM 1605 N VAL B 39 39.415 8.312 -7.783 1.00 0.00 N ATOM 1606 CA VAL B 39 39.283 6.826 -7.786 1.00 0.00 C ATOM 1607 C VAL B 39 40.426 6.216 -8.603 1.00 0.00 C ATOM 1608 O VAL B 39 40.733 6.663 -9.690 1.00 0.00 O ATOM 1609 CB VAL B 39 37.907 6.446 -8.387 1.00 0.00 C ATOM 1610 CG1 VAL B 39 38.026 5.299 -9.409 1.00 0.00 C ATOM 1611 CG2 VAL B 39 36.974 6.007 -7.256 1.00 0.00 C ATOM 0 H VAL B 39 40.281 8.672 -8.185 1.00 0.00 H new ATOM 0 HA VAL B 39 39.342 6.436 -6.770 1.00 0.00 H new ATOM 0 HB VAL B 39 37.511 7.321 -8.903 1.00 0.00 H new ATOM 0 HG11 VAL B 39 37.039 5.063 -9.807 1.00 0.00 H new ATOM 0 HG12 VAL B 39 38.682 5.604 -10.224 1.00 0.00 H new ATOM 0 HG13 VAL B 39 38.441 4.418 -8.920 1.00 0.00 H new ATOM 0 HG21 VAL B 39 36.002 5.737 -7.670 1.00 0.00 H new ATOM 0 HG22 VAL B 39 37.402 5.145 -6.745 1.00 0.00 H new ATOM 0 HG23 VAL B 39 36.852 6.826 -6.547 1.00 0.00 H new ATOM 1621 N ILE B 40 41.034 5.178 -8.099 1.00 0.00 N ATOM 1622 CA ILE B 40 42.128 4.520 -8.861 1.00 0.00 C ATOM 1623 C ILE B 40 41.476 3.555 -9.849 1.00 0.00 C ATOM 1624 O ILE B 40 40.275 3.410 -9.860 1.00 0.00 O ATOM 1625 CB ILE B 40 43.045 3.771 -7.893 1.00 0.00 C ATOM 1626 CG1 ILE B 40 43.542 4.751 -6.827 1.00 0.00 C ATOM 1627 CG2 ILE B 40 44.244 3.200 -8.653 1.00 0.00 C ATOM 1628 CD1 ILE B 40 44.559 4.060 -5.918 1.00 0.00 C ATOM 0 H ILE B 40 40.820 4.759 -7.194 1.00 0.00 H new ATOM 0 HA ILE B 40 42.734 5.250 -9.397 1.00 0.00 H new ATOM 0 HB ILE B 40 42.496 2.954 -7.425 1.00 0.00 H new ATOM 0 HG12 ILE B 40 43.998 5.619 -7.303 1.00 0.00 H new ATOM 0 HG13 ILE B 40 42.702 5.116 -6.236 1.00 0.00 H new ATOM 0 HG21 ILE B 40 44.894 2.667 -7.959 1.00 0.00 H new ATOM 0 HG22 ILE B 40 43.893 2.512 -9.422 1.00 0.00 H new ATOM 0 HG23 ILE B 40 44.800 4.013 -9.120 1.00 0.00 H new ATOM 0 HD11 ILE B 40 44.908 4.763 -5.162 1.00 0.00 H new ATOM 0 HD12 ILE B 40 44.089 3.206 -5.430 1.00 0.00 H new ATOM 0 HD13 ILE B 40 45.405 3.717 -6.513 1.00 0.00 H new ATOM 1640 N PHE B 41 42.218 2.905 -10.694 1.00 0.00 N ATOM 1641 CA PHE B 41 41.555 1.983 -11.651 1.00 0.00 C ATOM 1642 C PHE B 41 42.487 0.835 -12.007 1.00 0.00 C ATOM 1643 O PHE B 41 43.688 0.915 -11.845 1.00 0.00 O ATOM 1644 CB PHE B 41 41.197 2.748 -12.922 1.00 0.00 C ATOM 1645 CG PHE B 41 39.844 3.391 -12.751 1.00 0.00 C ATOM 1646 CD1 PHE B 41 38.749 2.615 -12.360 1.00 0.00 C ATOM 1647 CD2 PHE B 41 39.687 4.763 -12.976 1.00 0.00 C ATOM 1648 CE1 PHE B 41 37.494 3.210 -12.194 1.00 0.00 C ATOM 1649 CE2 PHE B 41 38.430 5.357 -12.812 1.00 0.00 C ATOM 1650 CZ PHE B 41 37.335 4.582 -12.420 1.00 0.00 C ATOM 0 H PHE B 41 43.234 2.968 -10.765 1.00 0.00 H new ATOM 0 HA PHE B 41 40.653 1.581 -11.189 1.00 0.00 H new ATOM 0 HB2 PHE B 41 41.951 3.508 -13.127 1.00 0.00 H new ATOM 0 HB3 PHE B 41 41.186 2.072 -13.777 1.00 0.00 H new ATOM 0 HD1 PHE B 41 38.872 1.556 -12.186 1.00 0.00 H new ATOM 0 HD2 PHE B 41 40.534 5.363 -13.276 1.00 0.00 H new ATOM 0 HE1 PHE B 41 36.648 2.611 -11.892 1.00 0.00 H new ATOM 0 HE2 PHE B 41 38.306 6.415 -12.989 1.00 0.00 H new ATOM 0 HZ PHE B 41 36.366 5.042 -12.291 1.00 0.00 H new ATOM 1660 N LEU B 42 41.935 -0.230 -12.503 1.00 0.00 N ATOM 1661 CA LEU B 42 42.762 -1.392 -12.894 1.00 0.00 C ATOM 1662 C LEU B 42 42.466 -1.714 -14.351 1.00 0.00 C ATOM 1663 O LEU B 42 41.728 -2.627 -14.665 1.00 0.00 O ATOM 1664 CB LEU B 42 42.407 -2.581 -12.013 1.00 0.00 C ATOM 1665 CG LEU B 42 43.351 -2.607 -10.815 1.00 0.00 C ATOM 1666 CD1 LEU B 42 42.794 -3.548 -9.748 1.00 0.00 C ATOM 1667 CD2 LEU B 42 44.729 -3.096 -11.265 1.00 0.00 C ATOM 0 H LEU B 42 40.933 -0.344 -12.655 1.00 0.00 H new ATOM 0 HA LEU B 42 43.822 -1.169 -12.771 1.00 0.00 H new ATOM 0 HB2 LEU B 42 41.373 -2.506 -11.677 1.00 0.00 H new ATOM 0 HB3 LEU B 42 42.491 -3.508 -12.579 1.00 0.00 H new ATOM 0 HG LEU B 42 43.441 -1.604 -10.399 1.00 0.00 H new ATOM 0 HD11 LEU B 42 43.468 -3.567 -8.892 1.00 0.00 H new ATOM 0 HD12 LEU B 42 41.813 -3.197 -9.429 1.00 0.00 H new ATOM 0 HD13 LEU B 42 42.703 -4.553 -10.161 1.00 0.00 H new ATOM 0 HD21 LEU B 42 45.405 -3.115 -10.410 1.00 0.00 H new ATOM 0 HD22 LEU B 42 44.641 -4.100 -11.681 1.00 0.00 H new ATOM 0 HD23 LEU B 42 45.124 -2.422 -12.025 1.00 0.00 H new ATOM 1679 N THR B 43 43.024 -0.950 -15.241 1.00 0.00 N ATOM 1680 CA THR B 43 42.772 -1.178 -16.687 1.00 0.00 C ATOM 1681 C THR B 43 42.989 -2.655 -17.023 1.00 0.00 C ATOM 1682 O THR B 43 43.279 -3.465 -16.164 1.00 0.00 O ATOM 1683 CB THR B 43 43.727 -0.306 -17.504 1.00 0.00 C ATOM 1684 OG1 THR B 43 45.013 -0.915 -17.534 1.00 0.00 O ATOM 1685 CG2 THR B 43 43.828 1.082 -16.861 1.00 0.00 C ATOM 0 H THR B 43 43.648 -0.172 -15.028 1.00 0.00 H new ATOM 0 HA THR B 43 41.743 -0.912 -16.929 1.00 0.00 H new ATOM 0 HB THR B 43 43.350 -0.205 -18.522 1.00 0.00 H new ATOM 0 HG1 THR B 43 45.400 -0.818 -18.429 1.00 0.00 H new ATOM 0 HG21 THR B 43 44.508 1.704 -17.443 1.00 0.00 H new ATOM 0 HG22 THR B 43 42.842 1.546 -16.839 1.00 0.00 H new ATOM 0 HG23 THR B 43 44.206 0.985 -15.843 1.00 0.00 H new ATOM 1693 N LYS B 44 42.843 -3.016 -18.267 1.00 0.00 N ATOM 1694 CA LYS B 44 43.031 -4.442 -18.654 1.00 0.00 C ATOM 1695 C LYS B 44 44.477 -4.669 -19.086 1.00 0.00 C ATOM 1696 O LYS B 44 44.808 -5.673 -19.686 1.00 0.00 O ATOM 1697 CB LYS B 44 42.087 -4.785 -19.808 1.00 0.00 C ATOM 1698 CG LYS B 44 40.763 -4.033 -19.630 1.00 0.00 C ATOM 1699 CD LYS B 44 40.195 -4.306 -18.234 1.00 0.00 C ATOM 1700 CE LYS B 44 39.423 -5.627 -18.248 1.00 0.00 C ATOM 1701 NZ LYS B 44 38.182 -5.470 -19.060 1.00 0.00 N ATOM 0 H LYS B 44 42.602 -2.386 -19.032 1.00 0.00 H new ATOM 0 HA LYS B 44 42.807 -5.083 -17.801 1.00 0.00 H new ATOM 0 HB2 LYS B 44 42.546 -4.514 -20.759 1.00 0.00 H new ATOM 0 HB3 LYS B 44 41.906 -5.859 -19.836 1.00 0.00 H new ATOM 0 HG2 LYS B 44 40.921 -2.963 -19.766 1.00 0.00 H new ATOM 0 HG3 LYS B 44 40.050 -4.349 -20.391 1.00 0.00 H new ATOM 0 HD2 LYS B 44 41.003 -4.352 -17.503 1.00 0.00 H new ATOM 0 HD3 LYS B 44 39.537 -3.491 -17.931 1.00 0.00 H new ATOM 0 HE2 LYS B 44 40.045 -6.419 -18.665 1.00 0.00 H new ATOM 0 HE3 LYS B 44 39.169 -5.923 -17.230 1.00 0.00 H new ATOM 0 HZ1 LYS B 44 37.352 -5.677 -18.469 1.00 0.00 H new ATOM 0 HZ2 LYS B 44 38.120 -4.494 -19.415 1.00 0.00 H new ATOM 0 HZ3 LYS B 44 38.207 -6.130 -19.864 1.00 0.00 H new ATOM 1715 N ARG B 45 45.344 -3.746 -18.779 1.00 0.00 N ATOM 1716 CA ARG B 45 46.772 -3.908 -19.162 1.00 0.00 C ATOM 1717 C ARG B 45 47.637 -3.765 -17.912 1.00 0.00 C ATOM 1718 O ARG B 45 48.826 -3.528 -17.991 1.00 0.00 O ATOM 1719 CB ARG B 45 47.156 -2.826 -20.174 1.00 0.00 C ATOM 1720 CG ARG B 45 47.894 -3.467 -21.349 1.00 0.00 C ATOM 1721 CD ARG B 45 49.381 -3.115 -21.274 1.00 0.00 C ATOM 1722 NE ARG B 45 50.192 -4.290 -21.701 1.00 0.00 N ATOM 1723 CZ ARG B 45 51.410 -4.440 -21.257 1.00 0.00 C ATOM 1724 NH1 ARG B 45 52.060 -3.414 -20.779 1.00 0.00 N ATOM 1725 NH2 ARG B 45 51.978 -5.614 -21.290 1.00 0.00 N ATOM 0 H ARG B 45 45.124 -2.885 -18.278 1.00 0.00 H new ATOM 0 HA ARG B 45 46.926 -4.890 -19.610 1.00 0.00 H new ATOM 0 HB2 ARG B 45 46.263 -2.311 -20.529 1.00 0.00 H new ATOM 0 HB3 ARG B 45 47.789 -2.076 -19.699 1.00 0.00 H new ATOM 0 HG2 ARG B 45 47.764 -4.549 -21.326 1.00 0.00 H new ATOM 0 HG3 ARG B 45 47.474 -3.115 -22.291 1.00 0.00 H new ATOM 0 HD2 ARG B 45 49.596 -2.259 -21.914 1.00 0.00 H new ATOM 0 HD3 ARG B 45 49.647 -2.827 -20.257 1.00 0.00 H new ATOM 0 HE ARG B 45 49.795 -4.978 -22.341 1.00 0.00 H new ATOM 0 HH11 ARG B 45 51.616 -2.496 -20.753 1.00 0.00 H new ATOM 0 HH12 ARG B 45 53.012 -3.530 -20.432 1.00 0.00 H new ATOM 0 HH21 ARG B 45 51.470 -6.416 -21.663 1.00 0.00 H new ATOM 0 HH22 ARG B 45 52.930 -5.730 -20.943 1.00 0.00 H new ATOM 1739 N SER B 46 47.047 -3.900 -16.757 1.00 0.00 N ATOM 1740 CA SER B 46 47.833 -3.761 -15.503 1.00 0.00 C ATOM 1741 C SER B 46 48.486 -2.381 -15.482 1.00 0.00 C ATOM 1742 O SER B 46 49.508 -2.174 -14.857 1.00 0.00 O ATOM 1743 CB SER B 46 48.912 -4.845 -15.456 1.00 0.00 C ATOM 1744 OG SER B 46 50.162 -4.283 -15.835 1.00 0.00 O ATOM 0 H SER B 46 46.055 -4.100 -16.629 1.00 0.00 H new ATOM 0 HA SER B 46 47.179 -3.871 -14.638 1.00 0.00 H new ATOM 0 HB2 SER B 46 48.979 -5.264 -14.452 1.00 0.00 H new ATOM 0 HB3 SER B 46 48.650 -5.664 -16.127 1.00 0.00 H new ATOM 0 HG SER B 46 50.460 -3.654 -15.145 1.00 0.00 H new ATOM 1750 N ARG B 47 47.909 -1.433 -16.169 1.00 0.00 N ATOM 1751 CA ARG B 47 48.505 -0.068 -16.192 1.00 0.00 C ATOM 1752 C ARG B 47 48.069 0.704 -14.946 1.00 0.00 C ATOM 1753 O ARG B 47 48.824 1.479 -14.396 1.00 0.00 O ATOM 1754 CB ARG B 47 48.035 0.673 -17.447 1.00 0.00 C ATOM 1755 CG ARG B 47 49.251 1.160 -18.238 1.00 0.00 C ATOM 1756 CD ARG B 47 48.939 2.518 -18.871 1.00 0.00 C ATOM 1757 NE ARG B 47 48.087 2.321 -20.076 1.00 0.00 N ATOM 1758 CZ ARG B 47 48.348 1.350 -20.908 1.00 0.00 C ATOM 1759 NH1 ARG B 47 49.289 1.490 -21.800 1.00 0.00 N ATOM 1760 NH2 ARG B 47 47.666 0.239 -20.848 1.00 0.00 N ATOM 0 H ARG B 47 47.054 -1.544 -16.713 1.00 0.00 H new ATOM 0 HA ARG B 47 49.592 -0.147 -16.204 1.00 0.00 H new ATOM 0 HB2 ARG B 47 47.426 0.013 -18.065 1.00 0.00 H new ATOM 0 HB3 ARG B 47 47.406 1.519 -17.169 1.00 0.00 H new ATOM 0 HG2 ARG B 47 50.116 1.244 -17.580 1.00 0.00 H new ATOM 0 HG3 ARG B 47 49.508 0.437 -19.012 1.00 0.00 H new ATOM 0 HD2 ARG B 47 48.427 3.157 -18.152 1.00 0.00 H new ATOM 0 HD3 ARG B 47 49.864 3.024 -19.146 1.00 0.00 H new ATOM 0 HE ARG B 47 47.299 2.945 -20.251 1.00 0.00 H new ATOM 0 HH11 ARG B 47 49.821 2.359 -21.848 1.00 0.00 H new ATOM 0 HH12 ARG B 47 49.493 0.731 -22.450 1.00 0.00 H new ATOM 0 HH21 ARG B 47 46.929 0.130 -20.151 1.00 0.00 H new ATOM 0 HH22 ARG B 47 47.870 -0.520 -21.498 1.00 0.00 H new ATOM 1774 N GLN B 48 46.857 0.501 -14.504 1.00 0.00 N ATOM 1775 CA GLN B 48 46.358 1.226 -13.297 1.00 0.00 C ATOM 1776 C GLN B 48 46.418 2.735 -13.561 1.00 0.00 C ATOM 1777 O GLN B 48 47.327 3.223 -14.201 1.00 0.00 O ATOM 1778 CB GLN B 48 47.202 0.830 -12.064 1.00 0.00 C ATOM 1779 CG GLN B 48 48.265 1.892 -11.733 1.00 0.00 C ATOM 1780 CD GLN B 48 47.732 2.820 -10.640 1.00 0.00 C ATOM 1781 OE1 GLN B 48 46.978 2.401 -9.785 1.00 0.00 O ATOM 1782 NE2 GLN B 48 48.097 4.073 -10.629 1.00 0.00 N ATOM 0 H GLN B 48 46.186 -0.139 -14.929 1.00 0.00 H new ATOM 0 HA GLN B 48 45.323 0.953 -13.091 1.00 0.00 H new ATOM 0 HB2 GLN B 48 46.546 0.692 -11.204 1.00 0.00 H new ATOM 0 HB3 GLN B 48 47.690 -0.127 -12.250 1.00 0.00 H new ATOM 0 HG2 GLN B 48 49.185 1.411 -11.400 1.00 0.00 H new ATOM 0 HG3 GLN B 48 48.511 2.467 -12.626 1.00 0.00 H new ATOM 0 HE21 GLN B 48 48.730 4.426 -11.347 1.00 0.00 H new ATOM 0 HE22 GLN B 48 47.749 4.699 -9.903 1.00 0.00 H new ATOM 1791 N VAL B 49 45.457 3.486 -13.093 1.00 0.00 N ATOM 1792 CA VAL B 49 45.498 4.952 -13.359 1.00 0.00 C ATOM 1793 C VAL B 49 44.815 5.740 -12.228 1.00 0.00 C ATOM 1794 O VAL B 49 45.328 5.826 -11.131 1.00 0.00 O ATOM 1795 CB VAL B 49 44.808 5.231 -14.695 1.00 0.00 C ATOM 1796 CG1 VAL B 49 44.979 6.706 -15.054 1.00 0.00 C ATOM 1797 CG2 VAL B 49 45.441 4.364 -15.786 1.00 0.00 C ATOM 0 H VAL B 49 44.660 3.156 -12.548 1.00 0.00 H new ATOM 0 HA VAL B 49 46.537 5.277 -13.404 1.00 0.00 H new ATOM 0 HB VAL B 49 43.747 4.996 -14.614 1.00 0.00 H new ATOM 0 HG11 VAL B 49 44.488 6.908 -16.006 1.00 0.00 H new ATOM 0 HG12 VAL B 49 44.531 7.324 -14.276 1.00 0.00 H new ATOM 0 HG13 VAL B 49 46.040 6.940 -15.136 1.00 0.00 H new ATOM 0 HG21 VAL B 49 44.950 4.562 -16.739 1.00 0.00 H new ATOM 0 HG22 VAL B 49 46.502 4.600 -15.869 1.00 0.00 H new ATOM 0 HG23 VAL B 49 45.323 3.311 -15.529 1.00 0.00 H new ATOM 1807 N CYS B 50 43.674 6.334 -12.486 1.00 0.00 N ATOM 1808 CA CYS B 50 42.986 7.126 -11.435 1.00 0.00 C ATOM 1809 C CYS B 50 41.835 7.890 -12.077 1.00 0.00 C ATOM 1810 O CYS B 50 41.636 7.835 -13.274 1.00 0.00 O ATOM 1811 CB CYS B 50 43.970 8.112 -10.800 1.00 0.00 C ATOM 1812 SG CYS B 50 44.135 7.735 -9.037 1.00 0.00 S ATOM 0 H CYS B 50 43.193 6.300 -13.385 1.00 0.00 H new ATOM 0 HA CYS B 50 42.605 6.461 -10.659 1.00 0.00 H new ATOM 0 HB2 CYS B 50 44.941 8.043 -11.291 1.00 0.00 H new ATOM 0 HB3 CYS B 50 43.617 9.134 -10.934 1.00 0.00 H new ATOM 1817 N ALA B 51 41.065 8.589 -11.298 1.00 0.00 N ATOM 1818 CA ALA B 51 39.920 9.335 -11.885 1.00 0.00 C ATOM 1819 C ALA B 51 39.666 10.621 -11.107 1.00 0.00 C ATOM 1820 O ALA B 51 39.486 10.604 -9.906 1.00 0.00 O ATOM 1821 CB ALA B 51 38.669 8.461 -11.816 1.00 0.00 C ATOM 0 H ALA B 51 41.176 8.677 -10.288 1.00 0.00 H new ATOM 0 HA ALA B 51 40.155 9.585 -12.920 1.00 0.00 H new ATOM 0 HB1 ALA B 51 37.824 9.000 -12.244 1.00 0.00 H new ATOM 0 HB2 ALA B 51 38.836 7.542 -12.378 1.00 0.00 H new ATOM 0 HB3 ALA B 51 38.453 8.216 -10.776 1.00 0.00 H new ATOM 1827 N ASP B 52 39.615 11.734 -11.789 1.00 0.00 N ATOM 1828 CA ASP B 52 39.328 13.019 -11.094 1.00 0.00 C ATOM 1829 C ASP B 52 38.150 12.769 -10.144 1.00 0.00 C ATOM 1830 O ASP B 52 37.435 11.800 -10.309 1.00 0.00 O ATOM 1831 CB ASP B 52 38.960 14.072 -12.149 1.00 0.00 C ATOM 1832 CG ASP B 52 39.639 15.404 -11.825 1.00 0.00 C ATOM 1833 OD1 ASP B 52 40.470 15.423 -10.933 1.00 0.00 O ATOM 1834 OD2 ASP B 52 39.314 16.385 -12.476 1.00 0.00 O ATOM 0 H ASP B 52 39.760 11.807 -12.796 1.00 0.00 H new ATOM 0 HA ASP B 52 40.188 13.378 -10.530 1.00 0.00 H new ATOM 0 HB2 ASP B 52 39.267 13.730 -13.137 1.00 0.00 H new ATOM 0 HB3 ASP B 52 37.879 14.205 -12.179 1.00 0.00 H new ATOM 1839 N PRO B 53 37.984 13.619 -9.166 1.00 0.00 N ATOM 1840 CA PRO B 53 36.902 13.460 -8.185 1.00 0.00 C ATOM 1841 C PRO B 53 35.565 13.874 -8.799 1.00 0.00 C ATOM 1842 O PRO B 53 35.358 15.021 -9.144 1.00 0.00 O ATOM 1843 CB PRO B 53 37.314 14.388 -7.039 1.00 0.00 C ATOM 1844 CG PRO B 53 38.287 15.426 -7.648 1.00 0.00 C ATOM 1845 CD PRO B 53 38.828 14.811 -8.953 1.00 0.00 C ATOM 0 HA PRO B 53 36.765 12.432 -7.850 1.00 0.00 H new ATOM 0 HB2 PRO B 53 36.443 14.879 -6.605 1.00 0.00 H new ATOM 0 HB3 PRO B 53 37.796 13.827 -6.238 1.00 0.00 H new ATOM 0 HG2 PRO B 53 37.774 16.367 -7.847 1.00 0.00 H new ATOM 0 HG3 PRO B 53 39.101 15.646 -6.957 1.00 0.00 H new ATOM 0 HD2 PRO B 53 38.749 15.510 -9.786 1.00 0.00 H new ATOM 0 HD3 PRO B 53 39.881 14.543 -8.861 1.00 0.00 H new ATOM 1853 N SER B 54 34.667 12.937 -8.944 1.00 0.00 N ATOM 1854 CA SER B 54 33.336 13.244 -9.541 1.00 0.00 C ATOM 1855 C SER B 54 33.437 13.223 -11.070 1.00 0.00 C ATOM 1856 O SER B 54 32.666 13.865 -11.755 1.00 0.00 O ATOM 1857 CB SER B 54 32.856 14.620 -9.074 1.00 0.00 C ATOM 1858 OG SER B 54 31.445 14.594 -8.908 1.00 0.00 O ATOM 0 H SER B 54 34.800 11.963 -8.672 1.00 0.00 H new ATOM 0 HA SER B 54 32.620 12.489 -9.217 1.00 0.00 H new ATOM 0 HB2 SER B 54 33.339 14.887 -8.134 1.00 0.00 H new ATOM 0 HB3 SER B 54 33.134 15.381 -9.803 1.00 0.00 H new ATOM 0 HG SER B 54 31.135 15.474 -8.607 1.00 0.00 H new ATOM 1864 N GLU B 55 34.369 12.484 -11.617 1.00 0.00 N ATOM 1865 CA GLU B 55 34.482 12.432 -13.103 1.00 0.00 C ATOM 1866 C GLU B 55 33.163 11.985 -13.678 1.00 0.00 C ATOM 1867 O GLU B 55 32.403 11.258 -13.075 1.00 0.00 O ATOM 1868 CB GLU B 55 35.585 11.457 -13.543 1.00 0.00 C ATOM 1869 CG GLU B 55 36.950 12.023 -13.158 1.00 0.00 C ATOM 1870 CD GLU B 55 37.418 12.989 -14.247 1.00 0.00 C ATOM 1871 OE1 GLU B 55 36.689 13.926 -14.531 1.00 0.00 O ATOM 1872 OE2 GLU B 55 38.495 12.777 -14.778 1.00 0.00 O ATOM 0 H GLU B 55 35.048 11.921 -11.105 1.00 0.00 H new ATOM 0 HA GLU B 55 34.741 13.426 -13.467 1.00 0.00 H new ATOM 0 HB2 GLU B 55 35.436 10.486 -13.071 1.00 0.00 H new ATOM 0 HB3 GLU B 55 35.536 11.298 -14.620 1.00 0.00 H new ATOM 0 HG2 GLU B 55 36.886 12.539 -12.200 1.00 0.00 H new ATOM 0 HG3 GLU B 55 37.671 11.215 -13.037 1.00 0.00 H new ATOM 1879 N GLU B 56 32.894 12.440 -14.845 1.00 0.00 N ATOM 1880 CA GLU B 56 31.632 12.088 -15.516 1.00 0.00 C ATOM 1881 C GLU B 56 31.694 10.628 -15.964 1.00 0.00 C ATOM 1882 O GLU B 56 30.690 9.966 -16.140 1.00 0.00 O ATOM 1883 CB GLU B 56 31.499 13.016 -16.709 1.00 0.00 C ATOM 1884 CG GLU B 56 30.449 12.476 -17.682 1.00 0.00 C ATOM 1885 CD GLU B 56 29.514 13.611 -18.102 1.00 0.00 C ATOM 1886 OE1 GLU B 56 29.930 14.755 -18.021 1.00 0.00 O ATOM 1887 OE2 GLU B 56 28.396 13.318 -18.494 1.00 0.00 O ATOM 0 H GLU B 56 33.507 13.056 -15.379 1.00 0.00 H new ATOM 0 HA GLU B 56 30.773 12.199 -14.855 1.00 0.00 H new ATOM 0 HB2 GLU B 56 31.216 14.014 -16.373 1.00 0.00 H new ATOM 0 HB3 GLU B 56 32.460 13.111 -17.215 1.00 0.00 H new ATOM 0 HG2 GLU B 56 30.936 12.048 -18.558 1.00 0.00 H new ATOM 0 HG3 GLU B 56 29.878 11.675 -17.211 1.00 0.00 H new ATOM 1894 N TRP B 57 32.881 10.135 -16.151 1.00 0.00 N ATOM 1895 CA TRP B 57 33.081 8.732 -16.590 1.00 0.00 C ATOM 1896 C TRP B 57 33.459 7.850 -15.396 1.00 0.00 C ATOM 1897 O TRP B 57 33.628 6.658 -15.531 1.00 0.00 O ATOM 1898 CB TRP B 57 34.208 8.744 -17.601 1.00 0.00 C ATOM 1899 CG TRP B 57 35.439 9.301 -16.962 1.00 0.00 C ATOM 1900 CD1 TRP B 57 35.780 10.607 -16.924 1.00 0.00 C ATOM 1901 CD2 TRP B 57 36.492 8.589 -16.272 1.00 0.00 C ATOM 1902 NE1 TRP B 57 36.990 10.734 -16.274 1.00 0.00 N ATOM 1903 CE2 TRP B 57 37.472 9.513 -15.853 1.00 0.00 C ATOM 1904 CE3 TRP B 57 36.686 7.241 -15.984 1.00 0.00 C ATOM 1905 CZ2 TRP B 57 38.615 9.105 -15.174 1.00 0.00 C ATOM 1906 CZ3 TRP B 57 37.833 6.815 -15.299 1.00 0.00 C ATOM 1907 CH2 TRP B 57 38.801 7.746 -14.896 1.00 0.00 C ATOM 0 H TRP B 57 33.744 10.661 -16.014 1.00 0.00 H new ATOM 0 HA TRP B 57 32.167 8.329 -17.025 1.00 0.00 H new ATOM 0 HB2 TRP B 57 34.398 7.734 -17.963 1.00 0.00 H new ATOM 0 HB3 TRP B 57 33.929 9.346 -18.466 1.00 0.00 H new ATOM 0 HD1 TRP B 57 35.200 11.420 -17.335 1.00 0.00 H new ATOM 0 HE1 TRP B 57 37.469 11.622 -16.123 1.00 0.00 H new ATOM 0 HE3 TRP B 57 35.946 6.517 -16.291 1.00 0.00 H new ATOM 0 HZ2 TRP B 57 39.353 9.830 -14.864 1.00 0.00 H new ATOM 0 HZ3 TRP B 57 37.971 5.766 -15.081 1.00 0.00 H new ATOM 0 HH2 TRP B 57 39.686 7.416 -14.373 1.00 0.00 H new ATOM 1918 N VAL B 58 33.578 8.414 -14.225 1.00 0.00 N ATOM 1919 CA VAL B 58 33.923 7.575 -13.044 1.00 0.00 C ATOM 1920 C VAL B 58 32.667 7.405 -12.200 1.00 0.00 C ATOM 1921 O VAL B 58 32.326 6.321 -11.781 1.00 0.00 O ATOM 1922 CB VAL B 58 35.024 8.244 -12.211 1.00 0.00 C ATOM 1923 CG1 VAL B 58 34.427 9.360 -11.347 1.00 0.00 C ATOM 1924 CG2 VAL B 58 35.669 7.191 -11.308 1.00 0.00 C ATOM 0 H VAL B 58 33.453 9.409 -14.036 1.00 0.00 H new ATOM 0 HA VAL B 58 34.293 6.605 -13.376 1.00 0.00 H new ATOM 0 HB VAL B 58 35.771 8.676 -12.877 1.00 0.00 H new ATOM 0 HG11 VAL B 58 35.217 9.828 -10.760 1.00 0.00 H new ATOM 0 HG12 VAL B 58 33.961 10.107 -11.989 1.00 0.00 H new ATOM 0 HG13 VAL B 58 33.678 8.940 -10.676 1.00 0.00 H new ATOM 0 HG21 VAL B 58 36.454 7.655 -10.711 1.00 0.00 H new ATOM 0 HG22 VAL B 58 34.913 6.766 -10.647 1.00 0.00 H new ATOM 0 HG23 VAL B 58 36.100 6.400 -11.922 1.00 0.00 H new ATOM 1934 N GLN B 59 31.961 8.476 -11.982 1.00 0.00 N ATOM 1935 CA GLN B 59 30.705 8.417 -11.206 1.00 0.00 C ATOM 1936 C GLN B 59 29.926 7.192 -11.669 1.00 0.00 C ATOM 1937 O GLN B 59 29.252 6.530 -10.908 1.00 0.00 O ATOM 1938 CB GLN B 59 29.932 9.697 -11.527 1.00 0.00 C ATOM 1939 CG GLN B 59 28.443 9.412 -11.684 1.00 0.00 C ATOM 1940 CD GLN B 59 27.666 10.727 -11.728 1.00 0.00 C ATOM 1941 OE1 GLN B 59 26.656 10.874 -11.069 1.00 0.00 O ATOM 1942 NE2 GLN B 59 28.098 11.698 -12.484 1.00 0.00 N ATOM 0 H GLN B 59 32.211 9.406 -12.318 1.00 0.00 H new ATOM 0 HA GLN B 59 30.877 8.342 -10.132 1.00 0.00 H new ATOM 0 HB2 GLN B 59 30.084 10.427 -10.732 1.00 0.00 H new ATOM 0 HB3 GLN B 59 30.320 10.140 -12.444 1.00 0.00 H new ATOM 0 HG2 GLN B 59 28.266 8.844 -12.597 1.00 0.00 H new ATOM 0 HG3 GLN B 59 28.091 8.799 -10.854 1.00 0.00 H new ATOM 0 HE21 GLN B 59 28.946 11.575 -13.037 1.00 0.00 H new ATOM 0 HE22 GLN B 59 27.588 12.580 -12.522 1.00 0.00 H new ATOM 1951 N LYS B 60 30.019 6.913 -12.930 1.00 0.00 N ATOM 1952 CA LYS B 60 29.301 5.744 -13.500 1.00 0.00 C ATOM 1953 C LYS B 60 29.977 4.458 -13.026 1.00 0.00 C ATOM 1954 O LYS B 60 29.325 3.515 -12.629 1.00 0.00 O ATOM 1955 CB LYS B 60 29.352 5.826 -15.032 1.00 0.00 C ATOM 1956 CG LYS B 60 29.034 4.457 -15.645 1.00 0.00 C ATOM 1957 CD LYS B 60 27.900 4.604 -16.662 1.00 0.00 C ATOM 1958 CE LYS B 60 28.159 3.679 -17.851 1.00 0.00 C ATOM 1959 NZ LYS B 60 27.129 2.601 -17.878 1.00 0.00 N ATOM 0 H LYS B 60 30.568 7.450 -13.602 1.00 0.00 H new ATOM 0 HA LYS B 60 28.262 5.745 -13.170 1.00 0.00 H new ATOM 0 HB2 LYS B 60 28.637 6.567 -15.388 1.00 0.00 H new ATOM 0 HB3 LYS B 60 30.340 6.156 -15.353 1.00 0.00 H new ATOM 0 HG2 LYS B 60 29.921 4.049 -16.130 1.00 0.00 H new ATOM 0 HG3 LYS B 60 28.746 3.754 -14.863 1.00 0.00 H new ATOM 0 HD2 LYS B 60 26.946 4.357 -16.197 1.00 0.00 H new ATOM 0 HD3 LYS B 60 27.832 5.638 -17.000 1.00 0.00 H new ATOM 0 HE2 LYS B 60 28.130 4.248 -18.780 1.00 0.00 H new ATOM 0 HE3 LYS B 60 29.155 3.243 -17.775 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 26.815 2.445 -18.857 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 27.537 1.722 -17.501 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 26.316 2.883 -17.294 1.00 0.00 H new ATOM 1973 N TYR B 61 31.278 4.394 -13.105 1.00 0.00 N ATOM 1974 CA TYR B 61 31.979 3.138 -12.695 1.00 0.00 C ATOM 1975 C TYR B 61 31.697 2.818 -11.222 1.00 0.00 C ATOM 1976 O TYR B 61 31.351 1.705 -10.878 1.00 0.00 O ATOM 1977 CB TYR B 61 33.487 3.291 -12.916 1.00 0.00 C ATOM 1978 CG TYR B 61 33.771 3.729 -14.324 1.00 0.00 C ATOM 1979 CD1 TYR B 61 32.734 3.957 -15.235 1.00 0.00 C ATOM 1980 CD2 TYR B 61 35.089 3.933 -14.708 1.00 0.00 C ATOM 1981 CE1 TYR B 61 33.020 4.387 -16.517 1.00 0.00 C ATOM 1982 CE2 TYR B 61 35.377 4.358 -15.997 1.00 0.00 C ATOM 1983 CZ TYR B 61 34.344 4.591 -16.908 1.00 0.00 C ATOM 1984 OH TYR B 61 34.630 5.023 -18.186 1.00 0.00 O ATOM 0 H TYR B 61 31.883 5.147 -13.432 1.00 0.00 H new ATOM 0 HA TYR B 61 31.606 2.316 -13.305 1.00 0.00 H new ATOM 0 HB2 TYR B 61 33.891 4.020 -12.214 1.00 0.00 H new ATOM 0 HB3 TYR B 61 33.988 2.344 -12.716 1.00 0.00 H new ATOM 0 HD1 TYR B 61 31.709 3.797 -14.936 1.00 0.00 H new ATOM 0 HD2 TYR B 61 35.890 3.761 -14.004 1.00 0.00 H new ATOM 0 HE1 TYR B 61 32.217 4.565 -17.217 1.00 0.00 H new ATOM 0 HE2 TYR B 61 36.403 4.509 -16.297 1.00 0.00 H new ATOM 0 HH TYR B 61 35.598 5.145 -18.281 1.00 0.00 H new ATOM 1994 N VAL B 62 31.836 3.778 -10.353 1.00 0.00 N ATOM 1995 CA VAL B 62 31.570 3.529 -8.912 1.00 0.00 C ATOM 1996 C VAL B 62 30.079 3.295 -8.729 1.00 0.00 C ATOM 1997 O VAL B 62 29.660 2.440 -7.972 1.00 0.00 O ATOM 1998 CB VAL B 62 31.994 4.758 -8.110 1.00 0.00 C ATOM 1999 CG1 VAL B 62 31.721 4.522 -6.623 1.00 0.00 C ATOM 2000 CG2 VAL B 62 33.485 5.018 -8.324 1.00 0.00 C ATOM 0 H VAL B 62 32.124 4.730 -10.581 1.00 0.00 H new ATOM 0 HA VAL B 62 32.128 2.658 -8.567 1.00 0.00 H new ATOM 0 HB VAL B 62 31.424 5.624 -8.447 1.00 0.00 H new ATOM 0 HG11 VAL B 62 32.025 5.400 -6.053 1.00 0.00 H new ATOM 0 HG12 VAL B 62 30.657 4.342 -6.473 1.00 0.00 H new ATOM 0 HG13 VAL B 62 32.287 3.655 -6.282 1.00 0.00 H new ATOM 0 HG21 VAL B 62 33.787 5.895 -7.752 1.00 0.00 H new ATOM 0 HG22 VAL B 62 34.057 4.152 -7.990 1.00 0.00 H new ATOM 0 HG23 VAL B 62 33.676 5.193 -9.383 1.00 0.00 H new ATOM 2010 N SER B 63 29.268 4.041 -9.424 1.00 0.00 N ATOM 2011 CA SER B 63 27.807 3.843 -9.291 1.00 0.00 C ATOM 2012 C SER B 63 27.530 2.354 -9.455 1.00 0.00 C ATOM 2013 O SER B 63 26.841 1.737 -8.666 1.00 0.00 O ATOM 2014 CB SER B 63 27.073 4.633 -10.376 1.00 0.00 C ATOM 2015 OG SER B 63 25.677 4.390 -10.267 1.00 0.00 O ATOM 0 H SER B 63 29.555 4.774 -10.073 1.00 0.00 H new ATOM 0 HA SER B 63 27.459 4.194 -8.320 1.00 0.00 H new ATOM 0 HB2 SER B 63 27.278 5.698 -10.269 1.00 0.00 H new ATOM 0 HB3 SER B 63 27.430 4.337 -11.362 1.00 0.00 H new ATOM 0 HG SER B 63 25.202 4.895 -10.959 1.00 0.00 H new