USER MOD reduce.3.24.130724 H: found=0, std=0, add=778, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 772 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 57 THR OG1 : rot -98:sc= 0.604 USER MOD Set 1.2: A 81 ASN : amide:sc= -10.1! C(o=-9.5!,f=-4!) USER MOD Set 2.1: A 49 HIS : no HD1:sc= -24.3! C(o=-24!,f=-34!) USER MOD Set 2.2: A 51 TYR OH : rot 125:sc= 0.747! USER MOD Set 2.3: A 82 SER OG : rot -64:sc= -0.838! USER MOD Set 3.1: A 48 CYS SG : rot -169:sc= -0.891 USER MOD Set 3.2: A 86 CYS SG : rot 114:sc= -0.991 USER MOD Set 4.1: A 39 CYS SG : rot 137:sc= 1 USER MOD Set 4.2: A 45 CYS SG : rot -91:sc= 0.0574 USER MOD Set 4.3: A 47 THR OG1 : rot -140:sc= -1.19 USER MOD Set 5.1: A 7 SER OG : rot 180:sc=-0.00816 USER MOD Set 5.2: A 8 HIS : no HD1:sc= -0.898! C(o=-0.91!,f=-5.2!) USER MOD Single : A 1 SER N :NH3+ -136:sc= 0.604 (180deg=0.0138) USER MOD Single : A 1 SER OG : rot 180:sc= 0.222 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot 162:sc= -4.3! USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -0.356 X(o=-0.36,f=-0.041) USER MOD Single : A 22 SER OG : rot 180:sc= -0.382 USER MOD Single : A 24 MET CE :methyl -120:sc= -0.465 (180deg=-3.44!) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -7.65! C(o=-7.7!,f=-7.5!) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot -50:sc= 0.0871 USER MOD Single : A 53 ASN : amide:sc= -0.677 X(o=-0.68,f=-0.32) USER MOD Single : A 59 LYS NZ :NH3+ -147:sc= -0.658 (180deg=-2.31!) USER MOD Single : A 64 ASN : amide:sc= -12! C(o=-12!,f=-12!) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 71:sc= -6.1! USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 CYS SG : rot -146:sc= -2.39 USER MOD Single : A 87 GLN : amide:sc= -12! C(o=-12!,f=-13!) USER MOD Single : A 90 MET CE :methyl -132:sc= -4.36! (180deg=-6.42!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.093 USER MOD Single : A 105 GLN : amide:sc= -1.09 K(o=-1.1,f=-3.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 16.206 18.386 16.314 1.00 0.00 N ATOM 2 CA SER A 1 14.778 18.462 15.894 1.00 0.00 C ATOM 3 C SER A 1 14.508 19.821 15.245 1.00 0.00 C ATOM 4 O SER A 1 15.333 20.713 15.284 1.00 0.00 O ATOM 5 CB SER A 1 13.877 18.295 17.119 1.00 0.00 C ATOM 6 OG SER A 1 14.627 18.574 18.294 1.00 0.00 O ATOM 0 H1 SER A 1 16.597 17.459 16.050 1.00 0.00 H new ATOM 0 H2 SER A 1 16.748 19.137 15.841 1.00 0.00 H new ATOM 0 H3 SER A 1 16.272 18.509 17.345 1.00 0.00 H new ATOM 0 HA SER A 1 14.568 17.669 15.177 1.00 0.00 H new ATOM 0 HB2 SER A 1 13.022 18.968 17.051 1.00 0.00 H new ATOM 0 HB3 SER A 1 13.481 17.280 17.158 1.00 0.00 H new ATOM 0 HG SER A 1 14.053 18.470 19.081 1.00 0.00 H new ATOM 14 N LYS A 2 13.360 19.986 14.648 1.00 0.00 N ATOM 15 CA LYS A 2 13.037 21.285 13.997 1.00 0.00 C ATOM 16 C LYS A 2 11.535 21.540 14.104 1.00 0.00 C ATOM 17 O LYS A 2 10.729 20.658 13.885 1.00 0.00 O ATOM 18 CB LYS A 2 13.437 21.228 12.523 1.00 0.00 C ATOM 19 CG LYS A 2 14.204 22.499 12.151 1.00 0.00 C ATOM 20 CD LYS A 2 15.569 22.122 11.572 1.00 0.00 C ATOM 21 CE LYS A 2 16.019 23.198 10.582 1.00 0.00 C ATOM 22 NZ LYS A 2 17.231 23.884 11.113 1.00 0.00 N ATOM 0 H LYS A 2 12.631 19.276 14.583 1.00 0.00 H new ATOM 0 HA LYS A 2 13.583 22.089 14.491 1.00 0.00 H new ATOM 0 HB2 LYS A 2 14.056 20.350 12.337 1.00 0.00 H new ATOM 0 HB3 LYS A 2 12.549 21.131 11.898 1.00 0.00 H new ATOM 0 HG2 LYS A 2 13.636 23.079 11.423 1.00 0.00 H new ATOM 0 HG3 LYS A 2 14.332 23.129 13.031 1.00 0.00 H new ATOM 0 HD2 LYS A 2 16.301 22.022 12.374 1.00 0.00 H new ATOM 0 HD3 LYS A 2 15.509 21.155 11.072 1.00 0.00 H new ATOM 0 HE2 LYS A 2 16.237 22.748 9.613 1.00 0.00 H new ATOM 0 HE3 LYS A 2 15.218 23.921 10.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 17.538 24.616 10.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 17.007 24.326 12.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 17.995 23.190 11.242 1.00 0.00 H new ATOM 36 N VAL A 3 11.152 22.735 14.446 1.00 0.00 N ATOM 37 CA VAL A 3 9.708 23.043 14.576 1.00 0.00 C ATOM 38 C VAL A 3 9.403 24.362 13.856 1.00 0.00 C ATOM 39 O VAL A 3 9.986 25.387 14.141 1.00 0.00 O ATOM 40 CB VAL A 3 9.366 23.121 16.077 1.00 0.00 C ATOM 41 CG1 VAL A 3 8.559 24.382 16.414 1.00 0.00 C ATOM 42 CG2 VAL A 3 8.553 21.888 16.456 1.00 0.00 C ATOM 0 H VAL A 3 11.781 23.514 14.642 1.00 0.00 H new ATOM 0 HA VAL A 3 9.097 22.267 14.116 1.00 0.00 H new ATOM 0 HB VAL A 3 10.298 23.163 16.640 1.00 0.00 H new ATOM 0 HG11 VAL A 3 8.339 24.399 17.481 1.00 0.00 H new ATOM 0 HG12 VAL A 3 9.139 25.266 16.149 1.00 0.00 H new ATOM 0 HG13 VAL A 3 7.626 24.378 15.851 1.00 0.00 H new ATOM 0 HG21 VAL A 3 8.303 21.929 17.516 1.00 0.00 H new ATOM 0 HG22 VAL A 3 7.636 21.862 15.868 1.00 0.00 H new ATOM 0 HG23 VAL A 3 9.138 20.991 16.255 1.00 0.00 H new ATOM 52 N VAL A 4 8.488 24.343 12.928 1.00 0.00 N ATOM 53 CA VAL A 4 8.140 25.596 12.201 1.00 0.00 C ATOM 54 C VAL A 4 6.651 25.874 12.393 1.00 0.00 C ATOM 55 O VAL A 4 5.827 25.018 12.170 1.00 0.00 O ATOM 56 CB VAL A 4 8.444 25.427 10.712 1.00 0.00 C ATOM 57 CG1 VAL A 4 8.078 26.713 9.969 1.00 0.00 C ATOM 58 CG2 VAL A 4 9.936 25.139 10.526 1.00 0.00 C ATOM 0 H VAL A 4 7.966 23.515 12.641 1.00 0.00 H new ATOM 0 HA VAL A 4 8.727 26.428 12.590 1.00 0.00 H new ATOM 0 HB VAL A 4 7.861 24.597 10.313 1.00 0.00 H new ATOM 0 HG11 VAL A 4 8.294 26.594 8.907 1.00 0.00 H new ATOM 0 HG12 VAL A 4 7.016 26.920 10.102 1.00 0.00 H new ATOM 0 HG13 VAL A 4 8.662 27.542 10.367 1.00 0.00 H new ATOM 0 HG21 VAL A 4 10.154 25.018 9.465 1.00 0.00 H new ATOM 0 HG22 VAL A 4 10.519 25.969 10.924 1.00 0.00 H new ATOM 0 HG23 VAL A 4 10.199 24.224 11.057 1.00 0.00 H new ATOM 68 N TYR A 5 6.293 27.059 12.804 1.00 0.00 N ATOM 69 CA TYR A 5 4.849 27.356 13.006 1.00 0.00 C ATOM 70 C TYR A 5 4.305 28.086 11.785 1.00 0.00 C ATOM 71 O TYR A 5 5.021 28.777 11.091 1.00 0.00 O ATOM 72 CB TYR A 5 4.642 28.272 14.217 1.00 0.00 C ATOM 73 CG TYR A 5 5.246 27.687 15.476 1.00 0.00 C ATOM 74 CD1 TYR A 5 6.615 27.400 15.549 1.00 0.00 C ATOM 75 CD2 TYR A 5 4.429 27.459 16.589 1.00 0.00 C ATOM 76 CE1 TYR A 5 7.162 26.885 16.729 1.00 0.00 C ATOM 77 CE2 TYR A 5 4.978 26.942 17.767 1.00 0.00 C ATOM 78 CZ TYR A 5 6.344 26.656 17.838 1.00 0.00 C ATOM 79 OH TYR A 5 6.882 26.146 19.004 1.00 0.00 O ATOM 0 H TYR A 5 6.932 27.828 13.007 1.00 0.00 H new ATOM 0 HA TYR A 5 4.333 26.409 13.165 1.00 0.00 H new ATOM 0 HB2 TYR A 5 5.091 29.245 14.017 1.00 0.00 H new ATOM 0 HB3 TYR A 5 3.575 28.438 14.369 1.00 0.00 H new ATOM 0 HD1 TYR A 5 7.249 27.577 14.693 1.00 0.00 H new ATOM 0 HD2 TYR A 5 3.374 27.682 16.538 1.00 0.00 H new ATOM 0 HE1 TYR A 5 8.218 26.664 16.783 1.00 0.00 H new ATOM 0 HE2 TYR A 5 4.345 26.763 18.624 1.00 0.00 H new ATOM 0 HH TYR A 5 6.266 26.312 19.748 1.00 0.00 H new ATOM 89 N VAL A 6 3.034 27.965 11.542 1.00 0.00 N ATOM 90 CA VAL A 6 2.427 28.687 10.389 1.00 0.00 C ATOM 91 C VAL A 6 1.325 29.597 10.908 1.00 0.00 C ATOM 92 O VAL A 6 0.902 29.495 12.040 1.00 0.00 O ATOM 93 CB VAL A 6 1.804 27.710 9.396 1.00 0.00 C ATOM 94 CG1 VAL A 6 1.456 28.460 8.103 1.00 0.00 C ATOM 95 CG2 VAL A 6 2.791 26.584 9.099 1.00 0.00 C ATOM 0 H VAL A 6 2.387 27.398 12.090 1.00 0.00 H new ATOM 0 HA VAL A 6 3.210 29.255 9.887 1.00 0.00 H new ATOM 0 HB VAL A 6 0.896 27.281 9.820 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.010 27.767 7.389 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.748 29.258 8.325 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.363 28.888 7.675 1.00 0.00 H new ATOM 0 HG21 VAL A 6 2.345 25.887 8.390 1.00 0.00 H new ATOM 0 HG22 VAL A 6 3.703 27.002 8.672 1.00 0.00 H new ATOM 0 HG23 VAL A 6 3.031 26.058 10.023 1.00 0.00 H new ATOM 105 N SER A 7 0.837 30.464 10.078 1.00 0.00 N ATOM 106 CA SER A 7 -0.256 31.356 10.497 1.00 0.00 C ATOM 107 C SER A 7 -1.411 31.142 9.530 1.00 0.00 C ATOM 108 O SER A 7 -1.232 30.619 8.449 1.00 0.00 O ATOM 109 CB SER A 7 0.209 32.812 10.436 1.00 0.00 C ATOM 110 OG SER A 7 -0.845 33.660 10.872 1.00 0.00 O ATOM 0 H SER A 7 1.155 30.591 9.117 1.00 0.00 H new ATOM 0 HA SER A 7 -0.562 31.137 11.520 1.00 0.00 H new ATOM 0 HB2 SER A 7 1.088 32.952 11.065 1.00 0.00 H new ATOM 0 HB3 SER A 7 0.502 33.070 9.418 1.00 0.00 H new ATOM 0 HG SER A 7 -0.550 34.594 10.836 1.00 0.00 H new ATOM 116 N HIS A 8 -2.589 31.530 9.894 1.00 0.00 N ATOM 117 CA HIS A 8 -3.731 31.337 8.961 1.00 0.00 C ATOM 118 C HIS A 8 -3.505 32.192 7.708 1.00 0.00 C ATOM 119 O HIS A 8 -4.231 32.089 6.739 1.00 0.00 O ATOM 120 CB HIS A 8 -5.058 31.729 9.628 1.00 0.00 C ATOM 121 CG HIS A 8 -4.861 32.863 10.598 1.00 0.00 C ATOM 122 ND1 HIS A 8 -3.798 33.746 10.508 1.00 0.00 N ATOM 123 CD2 HIS A 8 -5.600 33.276 11.679 1.00 0.00 C ATOM 124 CE1 HIS A 8 -3.926 34.639 11.507 1.00 0.00 C ATOM 125 NE2 HIS A 8 -5.008 34.398 12.251 1.00 0.00 N ATOM 0 H HIS A 8 -2.816 31.969 10.786 1.00 0.00 H new ATOM 0 HA HIS A 8 -3.788 30.283 8.688 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -5.780 32.020 8.865 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -5.475 30.868 10.150 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -6.504 32.802 12.032 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -3.237 35.452 11.685 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -5.331 34.923 13.064 1.00 0.00 H new ATOM 133 N ASP A 9 -2.503 33.037 7.716 1.00 0.00 N ATOM 134 CA ASP A 9 -2.239 33.892 6.525 1.00 0.00 C ATOM 135 C ASP A 9 -0.941 33.461 5.826 1.00 0.00 C ATOM 136 O ASP A 9 -0.584 33.996 4.795 1.00 0.00 O ATOM 137 CB ASP A 9 -2.116 35.352 6.966 1.00 0.00 C ATOM 138 CG ASP A 9 -2.780 36.258 5.927 1.00 0.00 C ATOM 139 OD1 ASP A 9 -2.906 35.830 4.792 1.00 0.00 O ATOM 140 OD2 ASP A 9 -3.151 37.363 6.285 1.00 0.00 O ATOM 0 H ASP A 9 -1.859 33.169 8.496 1.00 0.00 H new ATOM 0 HA ASP A 9 -3.067 33.782 5.825 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -2.588 35.490 7.939 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -1.066 35.621 7.080 1.00 0.00 H new ATOM 145 N GLY A 10 -0.230 32.503 6.363 1.00 0.00 N ATOM 146 CA GLY A 10 1.031 32.063 5.701 1.00 0.00 C ATOM 147 C GLY A 10 2.238 32.409 6.580 1.00 0.00 C ATOM 148 O GLY A 10 3.284 31.800 6.474 1.00 0.00 O ATOM 0 H GLY A 10 -0.467 32.011 7.224 1.00 0.00 H new ATOM 0 HA2 GLY A 10 1.000 30.989 5.520 1.00 0.00 H new ATOM 0 HA3 GLY A 10 1.129 32.547 4.729 1.00 0.00 H new ATOM 152 N THR A 11 2.108 33.379 7.446 1.00 0.00 N ATOM 153 CA THR A 11 3.256 33.748 8.318 1.00 0.00 C ATOM 154 C THR A 11 3.817 32.487 8.962 1.00 0.00 C ATOM 155 O THR A 11 3.176 31.848 9.772 1.00 0.00 O ATOM 156 CB THR A 11 2.796 34.708 9.414 1.00 0.00 C ATOM 157 OG1 THR A 11 2.330 35.914 8.824 1.00 0.00 O ATOM 158 CG2 THR A 11 3.970 35.010 10.348 1.00 0.00 C ATOM 0 H THR A 11 1.260 33.928 7.585 1.00 0.00 H new ATOM 0 HA THR A 11 4.022 34.235 7.715 1.00 0.00 H new ATOM 0 HB THR A 11 1.987 34.252 9.985 1.00 0.00 H new ATOM 0 HG1 THR A 11 2.033 36.529 9.527 1.00 0.00 H new ATOM 0 HG21 THR A 11 3.645 35.695 11.131 1.00 0.00 H new ATOM 0 HG22 THR A 11 4.323 34.083 10.800 1.00 0.00 H new ATOM 0 HG23 THR A 11 4.779 35.467 9.779 1.00 0.00 H new ATOM 166 N ARG A 12 5.006 32.121 8.596 1.00 0.00 N ATOM 167 CA ARG A 12 5.617 30.892 9.172 1.00 0.00 C ATOM 168 C ARG A 12 6.983 31.218 9.785 1.00 0.00 C ATOM 169 O ARG A 12 7.903 31.616 9.099 1.00 0.00 O ATOM 170 CB ARG A 12 5.788 29.852 8.063 1.00 0.00 C ATOM 171 CG ARG A 12 6.569 28.648 8.596 1.00 0.00 C ATOM 172 CD ARG A 12 7.670 28.272 7.601 1.00 0.00 C ATOM 173 NE ARG A 12 7.205 28.555 6.213 1.00 0.00 N ATOM 174 CZ ARG A 12 8.064 28.598 5.230 1.00 0.00 C ATOM 175 NH1 ARG A 12 9.334 28.394 5.457 1.00 0.00 N ATOM 176 NH2 ARG A 12 7.652 28.846 4.016 1.00 0.00 N ATOM 0 H ARG A 12 5.586 32.619 7.921 1.00 0.00 H new ATOM 0 HA ARG A 12 4.967 30.498 9.953 1.00 0.00 H new ATOM 0 HB2 ARG A 12 4.812 29.531 7.699 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.315 30.293 7.217 1.00 0.00 H new ATOM 0 HG2 ARG A 12 7.006 28.885 9.566 1.00 0.00 H new ATOM 0 HG3 ARG A 12 5.897 27.803 8.747 1.00 0.00 H new ATOM 0 HD2 ARG A 12 8.577 28.838 7.815 1.00 0.00 H new ATOM 0 HD3 ARG A 12 7.922 27.216 7.703 1.00 0.00 H new ATOM 0 HE ARG A 12 6.214 28.715 6.031 1.00 0.00 H new ATOM 0 HH11 ARG A 12 9.658 28.200 6.405 1.00 0.00 H new ATOM 0 HH12 ARG A 12 10.002 28.428 4.687 1.00 0.00 H new ATOM 0 HH21 ARG A 12 6.661 29.006 3.837 1.00 0.00 H new ATOM 0 HH22 ARG A 12 8.321 28.880 3.247 1.00 0.00 H new ATOM 190 N ARG A 13 7.125 31.034 11.072 1.00 0.00 N ATOM 191 CA ARG A 13 8.437 31.312 11.727 1.00 0.00 C ATOM 192 C ARG A 13 9.076 29.979 12.123 1.00 0.00 C ATOM 193 O ARG A 13 8.477 29.175 12.805 1.00 0.00 O ATOM 194 CB ARG A 13 8.232 32.172 12.980 1.00 0.00 C ATOM 195 CG ARG A 13 6.829 31.943 13.548 1.00 0.00 C ATOM 196 CD ARG A 13 6.592 32.908 14.711 1.00 0.00 C ATOM 197 NE ARG A 13 6.243 34.252 14.171 1.00 0.00 N ATOM 198 CZ ARG A 13 5.749 35.169 14.958 1.00 0.00 C ATOM 199 NH1 ARG A 13 5.582 34.923 16.229 1.00 0.00 N ATOM 200 NH2 ARG A 13 5.427 36.337 14.475 1.00 0.00 N ATOM 0 H ARG A 13 6.390 30.704 11.697 1.00 0.00 H new ATOM 0 HA ARG A 13 9.084 31.851 11.035 1.00 0.00 H new ATOM 0 HB2 ARG A 13 8.982 31.921 13.730 1.00 0.00 H new ATOM 0 HB3 ARG A 13 8.366 33.225 12.734 1.00 0.00 H new ATOM 0 HG2 ARG A 13 6.080 32.099 12.772 1.00 0.00 H new ATOM 0 HG3 ARG A 13 6.725 30.913 13.888 1.00 0.00 H new ATOM 0 HD2 ARG A 13 5.788 32.539 15.347 1.00 0.00 H new ATOM 0 HD3 ARG A 13 7.485 32.974 15.332 1.00 0.00 H new ATOM 0 HE ARG A 13 6.391 34.456 13.183 1.00 0.00 H new ATOM 0 HH11 ARG A 13 5.838 34.012 16.610 1.00 0.00 H new ATOM 0 HH12 ARG A 13 5.196 35.642 16.841 1.00 0.00 H new ATOM 0 HH21 ARG A 13 5.561 36.533 13.483 1.00 0.00 H new ATOM 0 HH22 ARG A 13 5.041 37.054 15.089 1.00 0.00 H new ATOM 214 N GLN A 14 10.280 29.727 11.688 1.00 0.00 N ATOM 215 CA GLN A 14 10.933 28.431 12.030 1.00 0.00 C ATOM 216 C GLN A 14 11.748 28.563 13.320 1.00 0.00 C ATOM 217 O GLN A 14 12.190 29.634 13.686 1.00 0.00 O ATOM 218 CB GLN A 14 11.861 28.015 10.887 1.00 0.00 C ATOM 219 CG GLN A 14 12.754 29.194 10.498 1.00 0.00 C ATOM 220 CD GLN A 14 14.154 28.683 10.154 1.00 0.00 C ATOM 221 OE1 GLN A 14 15.136 29.357 10.395 1.00 0.00 O ATOM 222 NE2 GLN A 14 14.289 27.512 9.595 1.00 0.00 N ATOM 0 H GLN A 14 10.838 30.359 11.113 1.00 0.00 H new ATOM 0 HA GLN A 14 10.160 27.677 12.178 1.00 0.00 H new ATOM 0 HB2 GLN A 14 12.474 27.167 11.193 1.00 0.00 H new ATOM 0 HB3 GLN A 14 11.274 27.691 10.028 1.00 0.00 H new ATOM 0 HG2 GLN A 14 12.328 29.720 9.644 1.00 0.00 H new ATOM 0 HG3 GLN A 14 12.808 29.909 11.319 1.00 0.00 H new ATOM 0 HE21 GLN A 14 13.465 26.946 9.392 1.00 0.00 H new ATOM 0 HE22 GLN A 14 15.218 27.163 9.361 1.00 0.00 H new ATOM 231 N LEU A 15 11.960 27.467 14.001 1.00 0.00 N ATOM 232 CA LEU A 15 12.758 27.497 15.260 1.00 0.00 C ATOM 233 C LEU A 15 13.199 26.082 15.606 1.00 0.00 C ATOM 234 O LEU A 15 12.966 25.145 14.871 1.00 0.00 O ATOM 235 CB LEU A 15 11.927 28.063 16.416 1.00 0.00 C ATOM 236 CG LEU A 15 10.548 27.407 16.457 1.00 0.00 C ATOM 237 CD1 LEU A 15 10.260 26.929 17.881 1.00 0.00 C ATOM 238 CD2 LEU A 15 9.485 28.427 16.047 1.00 0.00 C ATOM 0 H LEU A 15 11.611 26.546 13.736 1.00 0.00 H new ATOM 0 HA LEU A 15 13.627 28.137 15.108 1.00 0.00 H new ATOM 0 HB2 LEU A 15 12.445 27.894 17.360 1.00 0.00 H new ATOM 0 HB3 LEU A 15 11.820 29.141 16.300 1.00 0.00 H new ATOM 0 HG LEU A 15 10.527 26.561 15.770 1.00 0.00 H new ATOM 0 HD11 LEU A 15 9.277 26.460 17.915 1.00 0.00 H new ATOM 0 HD12 LEU A 15 11.018 26.206 18.182 1.00 0.00 H new ATOM 0 HD13 LEU A 15 10.280 27.780 18.562 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.501 27.959 16.076 1.00 0.00 H new ATOM 0 HD22 LEU A 15 9.506 29.271 16.736 1.00 0.00 H new ATOM 0 HD23 LEU A 15 9.689 28.779 15.036 1.00 0.00 H new ATOM 250 N ASP A 16 13.840 25.930 16.721 1.00 0.00 N ATOM 251 CA ASP A 16 14.310 24.577 17.136 1.00 0.00 C ATOM 252 C ASP A 16 13.862 24.299 18.573 1.00 0.00 C ATOM 253 O ASP A 16 14.291 24.953 19.503 1.00 0.00 O ATOM 254 CB ASP A 16 15.838 24.523 17.059 1.00 0.00 C ATOM 255 CG ASP A 16 16.275 24.488 15.594 1.00 0.00 C ATOM 256 OD1 ASP A 16 16.374 25.549 14.999 1.00 0.00 O ATOM 257 OD2 ASP A 16 16.503 23.400 15.090 1.00 0.00 O ATOM 0 H ASP A 16 14.063 26.684 17.371 1.00 0.00 H new ATOM 0 HA ASP A 16 13.885 23.825 16.471 1.00 0.00 H new ATOM 0 HB2 ASP A 16 16.269 25.392 17.557 1.00 0.00 H new ATOM 0 HB3 ASP A 16 16.208 23.640 17.581 1.00 0.00 H new ATOM 262 N VAL A 17 13.003 23.336 18.763 1.00 0.00 N ATOM 263 CA VAL A 17 12.530 23.020 20.141 1.00 0.00 C ATOM 264 C VAL A 17 13.606 22.226 20.882 1.00 0.00 C ATOM 265 O VAL A 17 13.868 21.080 20.574 1.00 0.00 O ATOM 266 CB VAL A 17 11.251 22.187 20.064 1.00 0.00 C ATOM 267 CG1 VAL A 17 10.720 21.937 21.477 1.00 0.00 C ATOM 268 CG2 VAL A 17 10.199 22.945 19.253 1.00 0.00 C ATOM 0 H VAL A 17 12.608 22.754 18.024 1.00 0.00 H new ATOM 0 HA VAL A 17 12.329 23.949 20.675 1.00 0.00 H new ATOM 0 HB VAL A 17 11.466 21.233 19.582 1.00 0.00 H new ATOM 0 HG11 VAL A 17 9.808 21.343 21.423 1.00 0.00 H new ATOM 0 HG12 VAL A 17 11.470 21.399 22.057 1.00 0.00 H new ATOM 0 HG13 VAL A 17 10.504 22.891 21.959 1.00 0.00 H new ATOM 0 HG21 VAL A 17 9.286 22.352 19.197 1.00 0.00 H new ATOM 0 HG22 VAL A 17 9.984 23.898 19.737 1.00 0.00 H new ATOM 0 HG23 VAL A 17 10.576 23.126 18.247 1.00 0.00 H new ATOM 278 N ALA A 18 14.230 22.822 21.861 1.00 0.00 N ATOM 279 CA ALA A 18 15.285 22.095 22.621 1.00 0.00 C ATOM 280 C ALA A 18 14.773 20.704 22.993 1.00 0.00 C ATOM 281 O ALA A 18 13.620 20.381 22.789 1.00 0.00 O ATOM 282 CB ALA A 18 15.623 22.872 23.895 1.00 0.00 C ATOM 0 H ALA A 18 14.055 23.779 22.167 1.00 0.00 H new ATOM 0 HA ALA A 18 16.180 22.002 22.005 1.00 0.00 H new ATOM 0 HB1 ALA A 18 16.395 22.340 24.451 1.00 0.00 H new ATOM 0 HB2 ALA A 18 15.986 23.865 23.630 1.00 0.00 H new ATOM 0 HB3 ALA A 18 14.730 22.965 24.512 1.00 0.00 H new ATOM 288 N ASP A 19 15.620 19.877 23.539 1.00 0.00 N ATOM 289 CA ASP A 19 15.183 18.513 23.925 1.00 0.00 C ATOM 290 C ASP A 19 14.478 18.577 25.275 1.00 0.00 C ATOM 291 O ASP A 19 15.013 19.061 26.253 1.00 0.00 O ATOM 292 CB ASP A 19 16.392 17.587 24.029 1.00 0.00 C ATOM 293 CG ASP A 19 17.047 17.443 22.654 1.00 0.00 C ATOM 294 OD1 ASP A 19 16.323 17.250 21.692 1.00 0.00 O ATOM 295 OD2 ASP A 19 18.262 17.527 22.587 1.00 0.00 O ATOM 0 H ASP A 19 16.598 20.091 23.734 1.00 0.00 H new ATOM 0 HA ASP A 19 14.501 18.126 23.168 1.00 0.00 H new ATOM 0 HB2 ASP A 19 17.110 17.988 24.745 1.00 0.00 H new ATOM 0 HB3 ASP A 19 16.084 16.610 24.400 1.00 0.00 H new ATOM 300 N GLY A 20 13.279 18.091 25.325 1.00 0.00 N ATOM 301 CA GLY A 20 12.511 18.112 26.602 1.00 0.00 C ATOM 302 C GLY A 20 11.813 19.465 26.756 1.00 0.00 C ATOM 303 O GLY A 20 11.822 20.061 27.814 1.00 0.00 O ATOM 0 H GLY A 20 12.789 17.675 24.533 1.00 0.00 H new ATOM 0 HA2 GLY A 20 11.775 17.308 26.609 1.00 0.00 H new ATOM 0 HA3 GLY A 20 13.181 17.938 27.444 1.00 0.00 H new ATOM 307 N VAL A 21 11.209 19.955 25.707 1.00 0.00 N ATOM 308 CA VAL A 21 10.512 21.269 25.796 1.00 0.00 C ATOM 309 C VAL A 21 9.125 21.154 25.162 1.00 0.00 C ATOM 310 O VAL A 21 8.831 20.211 24.456 1.00 0.00 O ATOM 311 CB VAL A 21 11.322 22.332 25.049 1.00 0.00 C ATOM 312 CG1 VAL A 21 11.051 23.706 25.662 1.00 0.00 C ATOM 313 CG2 VAL A 21 12.814 22.011 25.161 1.00 0.00 C ATOM 0 H VAL A 21 11.168 19.502 24.794 1.00 0.00 H new ATOM 0 HA VAL A 21 10.414 21.555 26.843 1.00 0.00 H new ATOM 0 HB VAL A 21 11.029 22.338 23.999 1.00 0.00 H new ATOM 0 HG11 VAL A 21 11.628 24.462 25.130 1.00 0.00 H new ATOM 0 HG12 VAL A 21 9.989 23.937 25.582 1.00 0.00 H new ATOM 0 HG13 VAL A 21 11.343 23.700 26.712 1.00 0.00 H new ATOM 0 HG21 VAL A 21 13.390 22.768 24.629 1.00 0.00 H new ATOM 0 HG22 VAL A 21 13.107 22.004 26.211 1.00 0.00 H new ATOM 0 HG23 VAL A 21 13.009 21.032 24.723 1.00 0.00 H new ATOM 323 N SER A 22 8.273 22.110 25.403 1.00 0.00 N ATOM 324 CA SER A 22 6.908 22.061 24.811 1.00 0.00 C ATOM 325 C SER A 22 6.818 23.077 23.672 1.00 0.00 C ATOM 326 O SER A 22 7.361 24.161 23.752 1.00 0.00 O ATOM 327 CB SER A 22 5.873 22.404 25.883 1.00 0.00 C ATOM 328 OG SER A 22 6.219 23.642 26.490 1.00 0.00 O ATOM 0 H SER A 22 8.464 22.925 25.986 1.00 0.00 H new ATOM 0 HA SER A 22 6.711 21.060 24.427 1.00 0.00 H new ATOM 0 HB2 SER A 22 4.880 22.469 25.439 1.00 0.00 H new ATOM 0 HB3 SER A 22 5.835 21.615 26.634 1.00 0.00 H new ATOM 0 HG SER A 22 5.557 23.866 27.177 1.00 0.00 H new ATOM 334 N LEU A 23 6.137 22.741 22.613 1.00 0.00 N ATOM 335 CA LEU A 23 6.015 23.696 21.477 1.00 0.00 C ATOM 336 C LEU A 23 5.606 25.065 22.020 1.00 0.00 C ATOM 337 O LEU A 23 5.860 26.086 21.413 1.00 0.00 O ATOM 338 CB LEU A 23 4.956 23.181 20.493 1.00 0.00 C ATOM 339 CG LEU A 23 5.610 22.734 19.174 1.00 0.00 C ATOM 340 CD1 LEU A 23 5.788 23.943 18.260 1.00 0.00 C ATOM 341 CD2 LEU A 23 6.978 22.095 19.441 1.00 0.00 C ATOM 0 H LEU A 23 5.660 21.848 22.485 1.00 0.00 H new ATOM 0 HA LEU A 23 6.969 23.785 20.957 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.415 22.346 20.938 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.225 23.965 20.295 1.00 0.00 H new ATOM 0 HG LEU A 23 4.964 21.997 18.696 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.251 23.627 17.325 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.815 24.387 18.051 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.425 24.679 18.750 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.425 21.785 18.497 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.629 22.820 19.930 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.854 21.225 20.086 1.00 0.00 H new ATOM 353 N MET A 24 4.989 25.097 23.170 1.00 0.00 N ATOM 354 CA MET A 24 4.584 26.403 23.759 1.00 0.00 C ATOM 355 C MET A 24 5.821 27.075 24.356 1.00 0.00 C ATOM 356 O MET A 24 6.046 28.256 24.180 1.00 0.00 O ATOM 357 CB MET A 24 3.545 26.170 24.859 1.00 0.00 C ATOM 358 CG MET A 24 3.371 27.451 25.677 1.00 0.00 C ATOM 359 SD MET A 24 1.621 27.914 25.707 1.00 0.00 S ATOM 360 CE MET A 24 1.619 28.894 24.186 1.00 0.00 C ATOM 0 H MET A 24 4.749 24.276 23.726 1.00 0.00 H new ATOM 0 HA MET A 24 4.150 27.040 22.989 1.00 0.00 H new ATOM 0 HB2 MET A 24 2.593 25.876 24.418 1.00 0.00 H new ATOM 0 HB3 MET A 24 3.863 25.353 25.507 1.00 0.00 H new ATOM 0 HG2 MET A 24 3.736 27.299 26.693 1.00 0.00 H new ATOM 0 HG3 MET A 24 3.964 28.256 25.243 1.00 0.00 H new ATOM 0 HE1 MET A 24 1.319 29.917 24.413 1.00 0.00 H new ATOM 0 HE2 MET A 24 2.620 28.897 23.754 1.00 0.00 H new ATOM 0 HE3 MET A 24 0.917 28.460 23.474 1.00 0.00 H new ATOM 370 N GLN A 25 6.631 26.325 25.055 1.00 0.00 N ATOM 371 CA GLN A 25 7.860 26.912 25.658 1.00 0.00 C ATOM 372 C GLN A 25 8.707 27.551 24.556 1.00 0.00 C ATOM 373 O GLN A 25 9.107 28.690 24.652 1.00 0.00 O ATOM 374 CB GLN A 25 8.667 25.810 26.349 1.00 0.00 C ATOM 375 CG GLN A 25 8.821 26.144 27.834 1.00 0.00 C ATOM 376 CD GLN A 25 7.770 25.379 28.641 1.00 0.00 C ATOM 377 OE1 GLN A 25 6.605 25.727 28.626 1.00 0.00 O ATOM 378 NE2 GLN A 25 8.133 24.346 29.349 1.00 0.00 N ATOM 0 H GLN A 25 6.493 25.330 25.234 1.00 0.00 H new ATOM 0 HA GLN A 25 7.582 27.669 26.391 1.00 0.00 H new ATOM 0 HB2 GLN A 25 8.165 24.849 26.232 1.00 0.00 H new ATOM 0 HB3 GLN A 25 9.648 25.716 25.883 1.00 0.00 H new ATOM 0 HG2 GLN A 25 9.821 25.878 28.176 1.00 0.00 H new ATOM 0 HG3 GLN A 25 8.705 27.216 27.990 1.00 0.00 H new ATOM 0 HE21 GLN A 25 9.110 24.054 29.361 1.00 0.00 H new ATOM 0 HE22 GLN A 25 7.440 23.830 29.890 1.00 0.00 H new ATOM 387 N ALA A 26 8.981 26.826 23.505 1.00 0.00 N ATOM 388 CA ALA A 26 9.797 27.399 22.397 1.00 0.00 C ATOM 389 C ALA A 26 9.079 28.619 21.819 1.00 0.00 C ATOM 390 O ALA A 26 9.689 29.496 21.241 1.00 0.00 O ATOM 391 CB ALA A 26 9.976 26.346 21.301 1.00 0.00 C ATOM 0 H ALA A 26 8.675 25.863 23.366 1.00 0.00 H new ATOM 0 HA ALA A 26 10.774 27.697 22.778 1.00 0.00 H new ATOM 0 HB1 ALA A 26 10.573 26.763 20.490 1.00 0.00 H new ATOM 0 HB2 ALA A 26 10.484 25.474 21.714 1.00 0.00 H new ATOM 0 HB3 ALA A 26 8.999 26.050 20.918 1.00 0.00 H new ATOM 397 N ALA A 27 7.785 28.679 21.969 1.00 0.00 N ATOM 398 CA ALA A 27 7.023 29.838 21.427 1.00 0.00 C ATOM 399 C ALA A 27 7.251 31.071 22.308 1.00 0.00 C ATOM 400 O ALA A 27 7.149 32.192 21.856 1.00 0.00 O ATOM 401 CB ALA A 27 5.533 29.494 21.403 1.00 0.00 C ATOM 0 H ALA A 27 7.222 27.974 22.444 1.00 0.00 H new ATOM 0 HA ALA A 27 7.367 30.056 20.416 1.00 0.00 H new ATOM 0 HB1 ALA A 27 4.971 30.340 21.007 1.00 0.00 H new ATOM 0 HB2 ALA A 27 5.371 28.622 20.770 1.00 0.00 H new ATOM 0 HB3 ALA A 27 5.194 29.275 22.415 1.00 0.00 H new ATOM 407 N VAL A 28 7.555 30.882 23.562 1.00 0.00 N ATOM 408 CA VAL A 28 7.781 32.058 24.452 1.00 0.00 C ATOM 409 C VAL A 28 8.884 32.940 23.861 1.00 0.00 C ATOM 410 O VAL A 28 8.775 34.149 23.820 1.00 0.00 O ATOM 411 CB VAL A 28 8.185 31.580 25.854 1.00 0.00 C ATOM 412 CG1 VAL A 28 7.372 30.339 26.224 1.00 0.00 C ATOM 413 CG2 VAL A 28 9.679 31.235 25.890 1.00 0.00 C ATOM 0 H VAL A 28 7.657 29.970 24.008 1.00 0.00 H new ATOM 0 HA VAL A 28 6.861 32.637 24.529 1.00 0.00 H new ATOM 0 HB VAL A 28 7.987 32.380 26.568 1.00 0.00 H new ATOM 0 HG11 VAL A 28 7.659 30.000 27.219 1.00 0.00 H new ATOM 0 HG12 VAL A 28 6.310 30.584 26.216 1.00 0.00 H new ATOM 0 HG13 VAL A 28 7.567 29.547 25.501 1.00 0.00 H new ATOM 0 HG21 VAL A 28 9.951 30.898 26.890 1.00 0.00 H new ATOM 0 HG22 VAL A 28 9.887 30.443 25.171 1.00 0.00 H new ATOM 0 HG23 VAL A 28 10.263 32.119 25.634 1.00 0.00 H new ATOM 423 N SER A 29 9.944 32.338 23.404 1.00 0.00 N ATOM 424 CA SER A 29 11.062 33.126 22.813 1.00 0.00 C ATOM 425 C SER A 29 10.719 33.497 21.372 1.00 0.00 C ATOM 426 O SER A 29 10.777 34.647 20.984 1.00 0.00 O ATOM 427 CB SER A 29 12.327 32.277 22.812 1.00 0.00 C ATOM 428 OG SER A 29 13.466 33.126 22.762 1.00 0.00 O ATOM 0 H SER A 29 10.086 31.328 23.414 1.00 0.00 H new ATOM 0 HA SER A 29 11.217 34.031 23.401 1.00 0.00 H new ATOM 0 HB2 SER A 29 12.362 31.656 23.707 1.00 0.00 H new ATOM 0 HB3 SER A 29 12.325 31.603 21.956 1.00 0.00 H new ATOM 0 HG SER A 29 14.281 32.581 22.763 1.00 0.00 H new ATOM 434 N ASN A 30 10.363 32.527 20.573 1.00 0.00 N ATOM 435 CA ASN A 30 10.017 32.819 19.153 1.00 0.00 C ATOM 436 C ASN A 30 8.880 33.842 19.101 1.00 0.00 C ATOM 437 O ASN A 30 8.609 34.432 18.075 1.00 0.00 O ATOM 438 CB ASN A 30 9.584 31.527 18.458 1.00 0.00 C ATOM 439 CG ASN A 30 10.823 30.788 17.958 1.00 0.00 C ATOM 440 OD1 ASN A 30 11.315 31.061 16.881 1.00 0.00 O ATOM 441 ND2 ASN A 30 11.356 29.858 18.703 1.00 0.00 N ATOM 0 H ASN A 30 10.297 31.546 20.843 1.00 0.00 H new ATOM 0 HA ASN A 30 10.889 33.228 18.643 1.00 0.00 H new ATOM 0 HB2 ASN A 30 9.025 30.897 19.150 1.00 0.00 H new ATOM 0 HB3 ASN A 30 8.919 31.753 17.624 1.00 0.00 H new ATOM 0 HD21 ASN A 30 12.186 29.360 18.381 1.00 0.00 H new ATOM 0 HD22 ASN A 30 10.943 29.629 19.607 1.00 0.00 H new ATOM 448 N GLY A 31 8.218 34.061 20.203 1.00 0.00 N ATOM 449 CA GLY A 31 7.103 35.053 20.221 1.00 0.00 C ATOM 450 C GLY A 31 5.854 34.447 19.578 1.00 0.00 C ATOM 451 O GLY A 31 4.976 35.152 19.122 1.00 0.00 O ATOM 0 H GLY A 31 8.400 33.597 21.093 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.886 35.350 21.247 1.00 0.00 H new ATOM 0 HA3 GLY A 31 7.398 35.954 19.684 1.00 0.00 H new ATOM 455 N ILE A 32 5.761 33.148 19.547 1.00 0.00 N ATOM 456 CA ILE A 32 4.561 32.497 18.943 1.00 0.00 C ATOM 457 C ILE A 32 3.631 32.077 20.067 1.00 0.00 C ATOM 458 O ILE A 32 2.431 31.980 19.903 1.00 0.00 O ATOM 459 CB ILE A 32 4.981 31.273 18.127 1.00 0.00 C ATOM 460 CG1 ILE A 32 6.420 31.457 17.663 1.00 0.00 C ATOM 461 CG2 ILE A 32 4.072 31.128 16.905 1.00 0.00 C ATOM 462 CD1 ILE A 32 6.867 30.230 16.873 1.00 0.00 C ATOM 0 H ILE A 32 6.464 32.506 19.914 1.00 0.00 H new ATOM 0 HA ILE A 32 4.054 33.195 18.277 1.00 0.00 H new ATOM 0 HB ILE A 32 4.899 30.378 18.744 1.00 0.00 H new ATOM 0 HG12 ILE A 32 6.501 32.350 17.043 1.00 0.00 H new ATOM 0 HG13 ILE A 32 7.073 31.606 18.523 1.00 0.00 H new ATOM 0 HG21 ILE A 32 4.375 30.255 16.327 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.039 31.006 17.232 1.00 0.00 H new ATOM 0 HG23 ILE A 32 4.153 32.020 16.284 1.00 0.00 H new ATOM 0 HD11 ILE A 32 7.897 30.365 16.543 1.00 0.00 H new ATOM 0 HD12 ILE A 32 6.802 29.346 17.507 1.00 0.00 H new ATOM 0 HD13 ILE A 32 6.221 30.102 16.004 1.00 0.00 H new ATOM 474 N TYR A 33 4.182 31.852 21.220 1.00 0.00 N ATOM 475 CA TYR A 33 3.339 31.471 22.381 1.00 0.00 C ATOM 476 C TYR A 33 2.183 32.463 22.437 1.00 0.00 C ATOM 477 O TYR A 33 1.030 32.101 22.560 1.00 0.00 O ATOM 478 CB TYR A 33 4.181 31.538 23.669 1.00 0.00 C ATOM 479 CG TYR A 33 4.083 32.907 24.312 1.00 0.00 C ATOM 480 CD1 TYR A 33 4.991 33.913 23.961 1.00 0.00 C ATOM 481 CD2 TYR A 33 3.083 33.165 25.257 1.00 0.00 C ATOM 482 CE1 TYR A 33 4.899 35.177 24.555 1.00 0.00 C ATOM 483 CE2 TYR A 33 2.991 34.430 25.852 1.00 0.00 C ATOM 484 CZ TYR A 33 3.900 35.436 25.501 1.00 0.00 C ATOM 485 OH TYR A 33 3.809 36.682 26.087 1.00 0.00 O ATOM 0 H TYR A 33 5.182 31.915 21.411 1.00 0.00 H new ATOM 0 HA TYR A 33 2.958 30.454 22.284 1.00 0.00 H new ATOM 0 HB2 TYR A 33 3.839 30.777 24.371 1.00 0.00 H new ATOM 0 HB3 TYR A 33 5.223 31.314 23.439 1.00 0.00 H new ATOM 0 HD1 TYR A 33 5.762 33.714 23.232 1.00 0.00 H new ATOM 0 HD2 TYR A 33 2.382 32.389 25.527 1.00 0.00 H new ATOM 0 HE1 TYR A 33 5.599 35.953 24.283 1.00 0.00 H new ATOM 0 HE2 TYR A 33 2.219 34.629 26.581 1.00 0.00 H new ATOM 0 HH TYR A 33 3.060 36.692 26.719 1.00 0.00 H new ATOM 495 N ASP A 34 2.504 33.720 22.318 1.00 0.00 N ATOM 496 CA ASP A 34 1.451 34.765 22.331 1.00 0.00 C ATOM 497 C ASP A 34 0.591 34.599 21.078 1.00 0.00 C ATOM 498 O ASP A 34 -0.606 34.805 21.105 1.00 0.00 O ATOM 499 CB ASP A 34 2.100 36.150 22.330 1.00 0.00 C ATOM 500 CG ASP A 34 1.028 37.218 22.553 1.00 0.00 C ATOM 501 OD1 ASP A 34 0.294 37.497 21.620 1.00 0.00 O ATOM 502 OD2 ASP A 34 0.958 37.738 23.655 1.00 0.00 O ATOM 0 H ASP A 34 3.457 34.068 22.212 1.00 0.00 H new ATOM 0 HA ASP A 34 0.835 34.665 23.225 1.00 0.00 H new ATOM 0 HB2 ASP A 34 2.856 36.209 23.113 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.609 36.324 21.382 1.00 0.00 H new ATOM 507 N ILE A 35 1.189 34.214 19.977 1.00 0.00 N ATOM 508 CA ILE A 35 0.387 34.026 18.737 1.00 0.00 C ATOM 509 C ILE A 35 -0.062 32.565 18.654 1.00 0.00 C ATOM 510 O ILE A 35 -0.059 31.958 17.602 1.00 0.00 O ATOM 511 CB ILE A 35 1.238 34.382 17.515 1.00 0.00 C ATOM 512 CG1 ILE A 35 1.559 35.878 17.543 1.00 0.00 C ATOM 513 CG2 ILE A 35 0.464 34.055 16.236 1.00 0.00 C ATOM 514 CD1 ILE A 35 3.071 36.073 17.663 1.00 0.00 C ATOM 0 H ILE A 35 2.187 34.025 19.887 1.00 0.00 H new ATOM 0 HA ILE A 35 -0.488 34.676 18.758 1.00 0.00 H new ATOM 0 HB ILE A 35 2.163 33.805 17.536 1.00 0.00 H new ATOM 0 HG12 ILE A 35 1.191 36.357 16.636 1.00 0.00 H new ATOM 0 HG13 ILE A 35 1.052 36.354 18.383 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.072 34.309 15.368 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.229 32.991 16.215 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.461 34.632 16.213 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.300 37.138 17.683 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.426 35.608 18.583 1.00 0.00 H new ATOM 0 HD13 ILE A 35 3.566 35.611 16.809 1.00 0.00 H new ATOM 526 N VAL A 36 -0.449 31.995 19.765 1.00 0.00 N ATOM 527 CA VAL A 36 -0.897 30.574 19.757 1.00 0.00 C ATOM 528 C VAL A 36 -1.725 30.289 21.015 1.00 0.00 C ATOM 529 O VAL A 36 -2.921 30.502 21.042 1.00 0.00 O ATOM 530 CB VAL A 36 0.324 29.654 19.729 1.00 0.00 C ATOM 531 CG1 VAL A 36 -0.112 28.215 20.009 1.00 0.00 C ATOM 532 CG2 VAL A 36 0.983 29.726 18.349 1.00 0.00 C ATOM 0 H VAL A 36 -0.474 32.453 20.676 1.00 0.00 H new ATOM 0 HA VAL A 36 -1.509 30.392 18.873 1.00 0.00 H new ATOM 0 HB VAL A 36 1.035 29.972 20.491 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.759 27.560 19.989 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.583 28.162 20.991 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.824 27.896 19.247 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.854 29.071 18.327 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.270 29.408 17.588 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.295 30.751 18.148 1.00 0.00 H new ATOM 542 N GLY A 37 -1.102 29.804 22.055 1.00 0.00 N ATOM 543 CA GLY A 37 -1.860 29.501 23.304 1.00 0.00 C ATOM 544 C GLY A 37 -2.002 30.768 24.149 1.00 0.00 C ATOM 545 O GLY A 37 -1.360 31.769 23.899 1.00 0.00 O ATOM 0 H GLY A 37 -0.102 29.605 22.094 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.846 29.108 23.055 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.344 28.729 23.875 1.00 0.00 H new ATOM 549 N ASP A 38 -2.842 30.733 25.149 1.00 0.00 N ATOM 550 CA ASP A 38 -3.029 31.933 26.011 1.00 0.00 C ATOM 551 C ASP A 38 -2.890 31.537 27.484 1.00 0.00 C ATOM 552 O ASP A 38 -2.164 32.158 28.235 1.00 0.00 O ATOM 553 CB ASP A 38 -4.421 32.521 25.771 1.00 0.00 C ATOM 554 CG ASP A 38 -4.300 33.797 24.936 1.00 0.00 C ATOM 555 OD1 ASP A 38 -3.989 33.685 23.762 1.00 0.00 O ATOM 556 OD2 ASP A 38 -4.521 34.864 25.485 1.00 0.00 O ATOM 0 H ASP A 38 -3.407 29.923 25.405 1.00 0.00 H new ATOM 0 HA ASP A 38 -2.271 32.676 25.764 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -5.050 31.795 25.256 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -4.903 32.741 26.723 1.00 0.00 H new ATOM 561 N CYS A 39 -3.581 30.512 27.907 1.00 0.00 N ATOM 562 CA CYS A 39 -3.484 30.089 29.334 1.00 0.00 C ATOM 563 C CYS A 39 -2.064 29.598 29.627 1.00 0.00 C ATOM 564 O CYS A 39 -1.644 29.528 30.765 1.00 0.00 O ATOM 565 CB CYS A 39 -4.490 28.966 29.613 1.00 0.00 C ATOM 566 SG CYS A 39 -3.933 27.427 28.837 1.00 0.00 S ATOM 0 H CYS A 39 -4.206 29.951 27.328 1.00 0.00 H new ATOM 0 HA CYS A 39 -3.712 30.938 29.978 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -4.598 28.822 30.688 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -5.472 29.242 29.228 1.00 0.00 H new ATOM 0 HG CYS A 39 -4.103 26.438 29.663 1.00 0.00 H new ATOM 571 N GLY A 40 -1.320 29.262 28.608 1.00 0.00 N ATOM 572 CA GLY A 40 0.075 28.780 28.827 1.00 0.00 C ATOM 573 C GLY A 40 0.106 27.807 30.006 1.00 0.00 C ATOM 574 O GLY A 40 0.236 28.202 31.147 1.00 0.00 O ATOM 0 H GLY A 40 -1.617 29.300 27.633 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.445 28.288 27.928 1.00 0.00 H new ATOM 0 HA3 GLY A 40 0.735 29.625 29.023 1.00 0.00 H new ATOM 578 N GLY A 41 -0.009 26.535 29.740 1.00 0.00 N ATOM 579 CA GLY A 41 0.016 25.536 30.846 1.00 0.00 C ATOM 580 C GLY A 41 -1.026 24.450 30.576 1.00 0.00 C ATOM 581 O GLY A 41 -1.214 24.022 29.454 1.00 0.00 O ATOM 0 H GLY A 41 -0.119 26.144 28.804 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.008 25.091 30.926 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.192 26.026 31.797 1.00 0.00 H new ATOM 585 N SER A 42 -1.706 24.000 31.595 1.00 0.00 N ATOM 586 CA SER A 42 -2.735 22.942 31.393 1.00 0.00 C ATOM 587 C SER A 42 -3.806 23.454 30.427 1.00 0.00 C ATOM 588 O SER A 42 -3.938 24.641 30.204 1.00 0.00 O ATOM 589 CB SER A 42 -3.382 22.597 32.735 1.00 0.00 C ATOM 590 OG SER A 42 -4.248 23.655 33.124 1.00 0.00 O ATOM 0 H SER A 42 -1.593 24.319 32.557 1.00 0.00 H new ATOM 0 HA SER A 42 -2.265 22.051 30.977 1.00 0.00 H new ATOM 0 HB2 SER A 42 -3.941 21.665 32.653 1.00 0.00 H new ATOM 0 HB3 SER A 42 -2.614 22.443 33.493 1.00 0.00 H new ATOM 0 HG SER A 42 -4.666 23.437 33.983 1.00 0.00 H new ATOM 596 N ALA A 43 -4.571 22.568 29.851 1.00 0.00 N ATOM 597 CA ALA A 43 -5.631 23.007 28.900 1.00 0.00 C ATOM 598 C ALA A 43 -6.611 23.933 29.623 1.00 0.00 C ATOM 599 O ALA A 43 -7.474 23.490 30.355 1.00 0.00 O ATOM 600 CB ALA A 43 -6.381 21.783 28.372 1.00 0.00 C ATOM 0 H ALA A 43 -4.508 21.561 29.997 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.174 23.540 28.066 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -7.156 22.104 27.676 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.683 21.122 27.858 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.839 21.250 29.205 1.00 0.00 H new ATOM 606 N SER A 44 -6.485 25.217 29.426 1.00 0.00 N ATOM 607 CA SER A 44 -7.409 26.168 30.105 1.00 0.00 C ATOM 608 C SER A 44 -7.932 27.190 29.093 1.00 0.00 C ATOM 609 O SER A 44 -8.420 28.242 29.457 1.00 0.00 O ATOM 610 CB SER A 44 -6.661 26.894 31.223 1.00 0.00 C ATOM 611 OG SER A 44 -7.600 27.419 32.153 1.00 0.00 O ATOM 0 H SER A 44 -5.783 25.648 28.825 1.00 0.00 H new ATOM 0 HA SER A 44 -8.249 25.616 30.527 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.979 26.208 31.725 1.00 0.00 H new ATOM 0 HB3 SER A 44 -6.055 27.699 30.807 1.00 0.00 H new ATOM 0 HG SER A 44 -8.288 27.926 31.673 1.00 0.00 H new ATOM 617 N CYS A 45 -7.838 26.891 27.826 1.00 0.00 N ATOM 618 CA CYS A 45 -8.335 27.851 26.799 1.00 0.00 C ATOM 619 C CYS A 45 -8.389 27.162 25.432 1.00 0.00 C ATOM 620 O CYS A 45 -8.269 25.958 25.325 1.00 0.00 O ATOM 621 CB CYS A 45 -7.402 29.075 26.745 1.00 0.00 C ATOM 622 SG CYS A 45 -5.961 28.743 25.690 1.00 0.00 S ATOM 0 H CYS A 45 -7.440 26.027 27.458 1.00 0.00 H new ATOM 0 HA CYS A 45 -9.339 28.183 27.064 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -7.948 29.937 26.362 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -7.070 29.330 27.752 1.00 0.00 H new ATOM 0 HG CYS A 45 -4.995 28.260 26.414 1.00 0.00 H new ATOM 627 N ALA A 46 -8.563 27.922 24.386 1.00 0.00 N ATOM 628 CA ALA A 46 -8.618 27.320 23.025 1.00 0.00 C ATOM 629 C ALA A 46 -7.770 28.159 22.065 1.00 0.00 C ATOM 630 O ALA A 46 -7.742 27.917 20.875 1.00 0.00 O ATOM 631 CB ALA A 46 -10.067 27.292 22.537 1.00 0.00 C ATOM 0 H ALA A 46 -8.670 28.936 24.416 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.229 26.302 23.060 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -10.107 26.851 21.541 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.670 26.696 23.222 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -10.458 28.309 22.500 1.00 0.00 H new ATOM 637 N THR A 47 -7.077 29.143 22.574 1.00 0.00 N ATOM 638 CA THR A 47 -6.232 29.995 21.691 1.00 0.00 C ATOM 639 C THR A 47 -5.136 29.138 21.056 1.00 0.00 C ATOM 640 O THR A 47 -4.673 29.413 19.967 1.00 0.00 O ATOM 641 CB THR A 47 -5.591 31.111 22.520 1.00 0.00 C ATOM 642 OG1 THR A 47 -6.448 31.445 23.603 1.00 0.00 O ATOM 643 CG2 THR A 47 -5.374 32.342 21.640 1.00 0.00 C ATOM 0 H THR A 47 -7.060 29.393 23.563 1.00 0.00 H new ATOM 0 HA THR A 47 -6.851 30.434 20.908 1.00 0.00 H new ATOM 0 HB THR A 47 -4.631 30.771 22.907 1.00 0.00 H new ATOM 0 HG1 THR A 47 -6.450 32.417 23.731 1.00 0.00 H new ATOM 0 HG21 THR A 47 -4.918 33.136 22.231 1.00 0.00 H new ATOM 0 HG22 THR A 47 -4.717 32.084 20.810 1.00 0.00 H new ATOM 0 HG23 THR A 47 -6.333 32.685 21.251 1.00 0.00 H new ATOM 651 N CYS A 48 -4.721 28.096 21.725 1.00 0.00 N ATOM 652 CA CYS A 48 -3.658 27.220 21.156 1.00 0.00 C ATOM 653 C CYS A 48 -4.269 26.186 20.204 1.00 0.00 C ATOM 654 O CYS A 48 -3.889 25.034 20.196 1.00 0.00 O ATOM 655 CB CYS A 48 -2.882 26.535 22.283 1.00 0.00 C ATOM 656 SG CYS A 48 -3.936 25.355 23.157 1.00 0.00 S ATOM 0 H CYS A 48 -5.072 27.814 22.640 1.00 0.00 H new ATOM 0 HA CYS A 48 -2.963 27.835 20.584 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -2.013 26.020 21.873 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -2.508 27.284 22.982 1.00 0.00 H new ATOM 0 HG CYS A 48 -3.341 24.965 24.245 1.00 0.00 H new ATOM 661 N HIS A 49 -5.202 26.610 19.386 1.00 0.00 N ATOM 662 CA HIS A 49 -5.836 25.690 18.395 1.00 0.00 C ATOM 663 C HIS A 49 -4.901 25.588 17.191 1.00 0.00 C ATOM 664 O HIS A 49 -5.232 26.015 16.104 1.00 0.00 O ATOM 665 CB HIS A 49 -7.168 26.302 17.936 1.00 0.00 C ATOM 666 CG HIS A 49 -7.849 25.394 16.958 1.00 0.00 C ATOM 667 ND1 HIS A 49 -8.876 24.553 17.330 1.00 0.00 N ATOM 668 CD2 HIS A 49 -7.666 25.190 15.612 1.00 0.00 C ATOM 669 CE1 HIS A 49 -9.261 23.884 16.239 1.00 0.00 C ATOM 670 NE2 HIS A 49 -8.559 24.230 15.164 1.00 0.00 N ATOM 0 H HIS A 49 -5.554 27.567 19.364 1.00 0.00 H new ATOM 0 HA HIS A 49 -6.012 24.708 18.834 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -7.815 26.470 18.797 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -6.990 27.274 17.477 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -6.938 25.699 14.998 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -10.051 23.148 16.231 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -8.657 23.867 14.216 1.00 0.00 H new ATOM 678 N VAL A 50 -3.725 25.059 17.364 1.00 0.00 N ATOM 679 CA VAL A 50 -2.800 24.998 16.211 1.00 0.00 C ATOM 680 C VAL A 50 -3.154 23.830 15.325 1.00 0.00 C ATOM 681 O VAL A 50 -3.605 22.793 15.771 1.00 0.00 O ATOM 682 CB VAL A 50 -1.361 24.838 16.678 1.00 0.00 C ATOM 683 CG1 VAL A 50 -1.023 25.929 17.696 1.00 0.00 C ATOM 684 CG2 VAL A 50 -1.183 23.462 17.318 1.00 0.00 C ATOM 0 H VAL A 50 -3.371 24.673 18.239 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.896 25.931 15.656 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.691 24.929 15.823 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.009 25.810 18.028 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.145 26.908 17.234 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.691 25.847 18.553 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.152 23.347 17.653 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -1.854 23.368 18.172 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.416 22.688 16.587 1.00 0.00 H new ATOM 694 N TYR A 51 -2.938 23.997 14.068 1.00 0.00 N ATOM 695 CA TYR A 51 -3.236 22.918 13.113 1.00 0.00 C ATOM 696 C TYR A 51 -1.910 22.324 12.642 1.00 0.00 C ATOM 697 O TYR A 51 -1.177 22.914 11.876 1.00 0.00 O ATOM 698 CB TYR A 51 -4.005 23.521 11.959 1.00 0.00 C ATOM 699 CG TYR A 51 -5.494 23.454 12.238 1.00 0.00 C ATOM 700 CD1 TYR A 51 -6.145 22.216 12.214 1.00 0.00 C ATOM 701 CD2 TYR A 51 -6.234 24.626 12.489 1.00 0.00 C ATOM 702 CE1 TYR A 51 -7.521 22.137 12.437 1.00 0.00 C ATOM 703 CE2 TYR A 51 -7.615 24.543 12.703 1.00 0.00 C ATOM 704 CZ TYR A 51 -8.257 23.299 12.677 1.00 0.00 C ATOM 705 OH TYR A 51 -9.617 23.222 12.882 1.00 0.00 O ATOM 0 H TYR A 51 -2.561 24.849 13.653 1.00 0.00 H new ATOM 0 HA TYR A 51 -3.835 22.126 13.563 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -3.701 24.557 11.810 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -3.775 22.985 11.038 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -5.580 21.316 12.022 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -5.738 25.585 12.516 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -8.016 21.177 12.424 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -8.186 25.440 12.889 1.00 0.00 H new ATOM 0 HH TYR A 51 -9.844 23.649 13.734 1.00 0.00 H new ATOM 715 N VAL A 52 -1.588 21.179 13.149 1.00 0.00 N ATOM 716 CA VAL A 52 -0.287 20.527 12.819 1.00 0.00 C ATOM 717 C VAL A 52 -0.387 19.631 11.588 1.00 0.00 C ATOM 718 O VAL A 52 -1.452 19.377 11.063 1.00 0.00 O ATOM 719 CB VAL A 52 0.121 19.674 14.014 1.00 0.00 C ATOM 720 CG1 VAL A 52 1.595 19.284 13.901 1.00 0.00 C ATOM 721 CG2 VAL A 52 -0.117 20.476 15.296 1.00 0.00 C ATOM 0 H VAL A 52 -2.178 20.650 13.792 1.00 0.00 H new ATOM 0 HA VAL A 52 0.446 21.304 12.602 1.00 0.00 H new ATOM 0 HB VAL A 52 -0.475 18.761 14.037 1.00 0.00 H new ATOM 0 HG11 VAL A 52 1.877 18.675 14.760 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.752 18.715 12.985 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.209 20.184 13.878 1.00 0.00 H new ATOM 0 HG21 VAL A 52 0.171 19.876 16.159 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.481 21.387 15.271 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.173 20.737 15.371 1.00 0.00 H new ATOM 731 N ASN A 53 0.741 19.139 11.140 1.00 0.00 N ATOM 732 CA ASN A 53 0.758 18.238 9.960 1.00 0.00 C ATOM 733 C ASN A 53 0.305 16.846 10.400 1.00 0.00 C ATOM 734 O ASN A 53 0.374 16.499 11.563 1.00 0.00 O ATOM 735 CB ASN A 53 2.179 18.160 9.397 1.00 0.00 C ATOM 736 CG ASN A 53 2.195 18.716 7.972 1.00 0.00 C ATOM 737 OD1 ASN A 53 2.848 18.173 7.103 1.00 0.00 O ATOM 738 ND2 ASN A 53 1.499 19.784 7.694 1.00 0.00 N ATOM 0 H ASN A 53 1.656 19.328 11.549 1.00 0.00 H new ATOM 0 HA ASN A 53 0.089 18.621 9.189 1.00 0.00 H new ATOM 0 HB2 ASN A 53 2.863 18.728 10.028 1.00 0.00 H new ATOM 0 HB3 ASN A 53 2.526 17.127 9.399 1.00 0.00 H new ATOM 0 HD21 ASN A 53 1.503 20.163 6.747 1.00 0.00 H new ATOM 0 HD22 ASN A 53 0.951 20.240 8.424 1.00 0.00 H new ATOM 745 N GLU A 54 -0.163 16.049 9.486 1.00 0.00 N ATOM 746 CA GLU A 54 -0.631 14.681 9.854 1.00 0.00 C ATOM 747 C GLU A 54 0.560 13.722 9.952 1.00 0.00 C ATOM 748 O GLU A 54 0.393 12.521 10.015 1.00 0.00 O ATOM 749 CB GLU A 54 -1.603 14.174 8.787 1.00 0.00 C ATOM 750 CG GLU A 54 -0.848 13.941 7.477 1.00 0.00 C ATOM 751 CD GLU A 54 -1.539 14.706 6.346 1.00 0.00 C ATOM 752 OE1 GLU A 54 -2.106 15.750 6.623 1.00 0.00 O ATOM 753 OE2 GLU A 54 -1.490 14.233 5.222 1.00 0.00 O ATOM 0 H GLU A 54 -0.243 16.283 8.496 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.132 14.725 10.821 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.072 13.248 9.118 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.402 14.899 8.634 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.185 14.273 7.577 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.820 12.876 7.246 1.00 0.00 H new ATOM 760 N ALA A 55 1.760 14.235 9.965 1.00 0.00 N ATOM 761 CA ALA A 55 2.946 13.337 10.058 1.00 0.00 C ATOM 762 C ALA A 55 3.612 13.500 11.426 1.00 0.00 C ATOM 763 O ALA A 55 4.269 12.603 11.917 1.00 0.00 O ATOM 764 CB ALA A 55 3.947 13.696 8.957 1.00 0.00 C ATOM 0 H ALA A 55 1.970 15.232 9.916 1.00 0.00 H new ATOM 0 HA ALA A 55 2.624 12.303 9.935 1.00 0.00 H new ATOM 0 HB1 ALA A 55 4.814 13.039 9.025 1.00 0.00 H new ATOM 0 HB2 ALA A 55 3.475 13.574 7.982 1.00 0.00 H new ATOM 0 HB3 ALA A 55 4.266 14.731 9.078 1.00 0.00 H new ATOM 770 N PHE A 56 3.452 14.636 12.044 1.00 0.00 N ATOM 771 CA PHE A 56 4.079 14.853 13.378 1.00 0.00 C ATOM 772 C PHE A 56 3.007 14.761 14.466 1.00 0.00 C ATOM 773 O PHE A 56 3.304 14.590 15.632 1.00 0.00 O ATOM 774 CB PHE A 56 4.737 16.229 13.404 1.00 0.00 C ATOM 775 CG PHE A 56 5.854 16.252 12.389 1.00 0.00 C ATOM 776 CD1 PHE A 56 5.572 16.536 11.047 1.00 0.00 C ATOM 777 CD2 PHE A 56 7.170 15.986 12.787 1.00 0.00 C ATOM 778 CE1 PHE A 56 6.607 16.555 10.105 1.00 0.00 C ATOM 779 CE2 PHE A 56 8.203 16.005 11.845 1.00 0.00 C ATOM 780 CZ PHE A 56 7.922 16.290 10.505 1.00 0.00 C ATOM 0 H PHE A 56 2.914 15.424 11.684 1.00 0.00 H new ATOM 0 HA PHE A 56 4.835 14.090 13.561 1.00 0.00 H new ATOM 0 HB2 PHE A 56 4.004 17.003 13.176 1.00 0.00 H new ATOM 0 HB3 PHE A 56 5.127 16.442 14.399 1.00 0.00 H new ATOM 0 HD1 PHE A 56 4.557 16.740 10.739 1.00 0.00 H new ATOM 0 HD2 PHE A 56 7.387 15.766 13.822 1.00 0.00 H new ATOM 0 HE1 PHE A 56 6.391 16.774 9.070 1.00 0.00 H new ATOM 0 HE2 PHE A 56 9.218 15.800 12.152 1.00 0.00 H new ATOM 0 HZ PHE A 56 8.720 16.306 9.778 1.00 0.00 H new ATOM 790 N THR A 57 1.759 14.870 14.094 1.00 0.00 N ATOM 791 CA THR A 57 0.668 14.785 15.105 1.00 0.00 C ATOM 792 C THR A 57 0.622 13.375 15.702 1.00 0.00 C ATOM 793 O THR A 57 0.315 13.193 16.863 1.00 0.00 O ATOM 794 CB THR A 57 -0.674 15.078 14.432 1.00 0.00 C ATOM 795 OG1 THR A 57 -0.618 14.675 13.071 1.00 0.00 O ATOM 796 CG2 THR A 57 -0.972 16.573 14.511 1.00 0.00 C ATOM 0 H THR A 57 1.449 15.014 13.133 1.00 0.00 H new ATOM 0 HA THR A 57 0.858 15.513 15.894 1.00 0.00 H new ATOM 0 HB THR A 57 -1.464 14.526 14.942 1.00 0.00 H new ATOM 0 HG1 THR A 57 -0.435 15.455 12.506 1.00 0.00 H new ATOM 0 HG21 THR A 57 -1.929 16.779 14.031 1.00 0.00 H new ATOM 0 HG22 THR A 57 -1.017 16.880 15.556 1.00 0.00 H new ATOM 0 HG23 THR A 57 -0.184 17.128 14.003 1.00 0.00 H new ATOM 804 N ASP A 58 0.907 12.375 14.913 1.00 0.00 N ATOM 805 CA ASP A 58 0.860 10.976 15.430 1.00 0.00 C ATOM 806 C ASP A 58 1.965 10.754 16.466 1.00 0.00 C ATOM 807 O ASP A 58 1.732 10.203 17.523 1.00 0.00 O ATOM 808 CB ASP A 58 1.051 9.999 14.268 1.00 0.00 C ATOM 809 CG ASP A 58 0.017 8.876 14.370 1.00 0.00 C ATOM 810 OD1 ASP A 58 0.033 8.171 15.365 1.00 0.00 O ATOM 811 OD2 ASP A 58 -0.774 8.740 13.450 1.00 0.00 O ATOM 0 H ASP A 58 1.171 12.466 13.932 1.00 0.00 H new ATOM 0 HA ASP A 58 -0.107 10.806 15.903 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.943 10.522 13.318 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.058 9.583 14.290 1.00 0.00 H new ATOM 816 N LYS A 59 3.165 11.168 16.172 1.00 0.00 N ATOM 817 CA LYS A 59 4.277 10.967 17.143 1.00 0.00 C ATOM 818 C LYS A 59 3.847 11.453 18.529 1.00 0.00 C ATOM 819 O LYS A 59 4.086 10.801 19.526 1.00 0.00 O ATOM 820 CB LYS A 59 5.502 11.757 16.684 1.00 0.00 C ATOM 821 CG LYS A 59 6.630 10.789 16.324 1.00 0.00 C ATOM 822 CD LYS A 59 6.086 9.685 15.415 1.00 0.00 C ATOM 823 CE LYS A 59 7.198 9.194 14.486 1.00 0.00 C ATOM 824 NZ LYS A 59 7.872 10.365 13.857 1.00 0.00 N ATOM 0 H LYS A 59 3.424 11.636 15.304 1.00 0.00 H new ATOM 0 HA LYS A 59 4.524 9.907 17.194 1.00 0.00 H new ATOM 0 HB2 LYS A 59 5.248 12.373 15.821 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.828 12.434 17.474 1.00 0.00 H new ATOM 0 HG2 LYS A 59 7.436 11.324 15.822 1.00 0.00 H new ATOM 0 HG3 LYS A 59 7.053 10.354 17.230 1.00 0.00 H new ATOM 0 HD2 LYS A 59 5.708 8.858 16.016 1.00 0.00 H new ATOM 0 HD3 LYS A 59 5.248 10.062 14.829 1.00 0.00 H new ATOM 0 HE2 LYS A 59 7.921 8.603 15.048 1.00 0.00 H new ATOM 0 HE3 LYS A 59 6.783 8.543 13.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 8.185 10.112 12.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 7.206 11.162 13.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 8.696 10.639 14.429 1.00 0.00 H new ATOM 838 N VAL A 60 3.215 12.591 18.600 1.00 0.00 N ATOM 839 CA VAL A 60 2.771 13.115 19.925 1.00 0.00 C ATOM 840 C VAL A 60 1.279 12.824 20.109 1.00 0.00 C ATOM 841 O VAL A 60 0.518 12.900 19.165 1.00 0.00 O ATOM 842 CB VAL A 60 2.999 14.632 19.987 1.00 0.00 C ATOM 843 CG1 VAL A 60 3.397 15.032 21.409 1.00 0.00 C ATOM 844 CG2 VAL A 60 4.116 15.034 19.020 1.00 0.00 C ATOM 0 H VAL A 60 2.986 13.181 17.800 1.00 0.00 H new ATOM 0 HA VAL A 60 3.345 12.630 20.715 1.00 0.00 H new ATOM 0 HB VAL A 60 2.077 15.141 19.705 1.00 0.00 H new ATOM 0 HG11 VAL A 60 3.559 16.109 21.452 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.601 14.757 22.101 1.00 0.00 H new ATOM 0 HG13 VAL A 60 4.315 14.516 21.689 1.00 0.00 H new ATOM 0 HG21 VAL A 60 4.271 16.112 19.071 1.00 0.00 H new ATOM 0 HG22 VAL A 60 5.038 14.522 19.296 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.836 14.755 18.004 1.00 0.00 H new ATOM 854 N PRO A 61 0.896 12.509 21.321 1.00 0.00 N ATOM 855 CA PRO A 61 -0.511 12.219 21.639 1.00 0.00 C ATOM 856 C PRO A 61 -1.370 13.428 21.269 1.00 0.00 C ATOM 857 O PRO A 61 -0.869 14.421 20.781 1.00 0.00 O ATOM 858 CB PRO A 61 -0.530 11.971 23.154 1.00 0.00 C ATOM 859 CG PRO A 61 0.931 12.072 23.665 1.00 0.00 C ATOM 860 CD PRO A 61 1.823 12.422 22.463 1.00 0.00 C ATOM 0 HA PRO A 61 -0.906 11.363 21.092 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -1.162 12.705 23.654 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -0.946 10.988 23.376 1.00 0.00 H new ATOM 0 HG2 PRO A 61 1.014 12.836 24.438 1.00 0.00 H new ATOM 0 HG3 PRO A 61 1.246 11.129 24.113 1.00 0.00 H new ATOM 0 HD2 PRO A 61 2.347 13.365 22.620 1.00 0.00 H new ATOM 0 HD3 PRO A 61 2.583 11.658 22.299 1.00 0.00 H new ATOM 868 N ALA A 62 -2.654 13.365 21.486 1.00 0.00 N ATOM 869 CA ALA A 62 -3.509 14.526 21.130 1.00 0.00 C ATOM 870 C ALA A 62 -4.024 15.195 22.408 1.00 0.00 C ATOM 871 O ALA A 62 -3.295 15.887 23.090 1.00 0.00 O ATOM 872 CB ALA A 62 -4.682 14.050 20.269 1.00 0.00 C ATOM 0 H ALA A 62 -3.143 12.567 21.891 1.00 0.00 H new ATOM 0 HA ALA A 62 -2.926 15.252 20.564 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -5.310 14.901 20.007 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -4.301 13.587 19.359 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.271 13.322 20.827 1.00 0.00 H new ATOM 878 N ALA A 63 -5.272 15.004 22.739 1.00 0.00 N ATOM 879 CA ALA A 63 -5.818 15.639 23.971 1.00 0.00 C ATOM 880 C ALA A 63 -6.130 14.566 25.015 1.00 0.00 C ATOM 881 O ALA A 63 -5.632 13.459 24.956 1.00 0.00 O ATOM 882 CB ALA A 63 -7.097 16.402 23.623 1.00 0.00 C ATOM 0 H ALA A 63 -5.935 14.437 22.211 1.00 0.00 H new ATOM 0 HA ALA A 63 -5.079 16.329 24.379 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.499 16.868 24.523 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -6.872 17.172 22.885 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -7.833 15.711 23.213 1.00 0.00 H new ATOM 888 N ASN A 64 -6.962 14.888 25.967 1.00 0.00 N ATOM 889 CA ASN A 64 -7.327 13.898 27.018 1.00 0.00 C ATOM 890 C ASN A 64 -8.833 13.989 27.278 1.00 0.00 C ATOM 891 O ASN A 64 -9.609 14.240 26.380 1.00 0.00 O ATOM 892 CB ASN A 64 -6.562 14.212 28.306 1.00 0.00 C ATOM 893 CG ASN A 64 -5.084 14.440 27.981 1.00 0.00 C ATOM 894 OD1 ASN A 64 -4.588 13.957 26.983 1.00 0.00 O ATOM 895 ND2 ASN A 64 -4.355 15.160 28.789 1.00 0.00 N ATOM 0 H ASN A 64 -7.407 15.801 26.062 1.00 0.00 H new ATOM 0 HA ASN A 64 -7.069 12.892 26.687 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -6.981 15.098 28.783 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -6.667 13.389 29.013 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -3.369 15.317 28.583 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -4.772 15.566 29.627 1.00 0.00 H new ATOM 902 N GLU A 65 -9.258 13.791 28.495 1.00 0.00 N ATOM 903 CA GLU A 65 -10.716 13.876 28.789 1.00 0.00 C ATOM 904 C GLU A 65 -11.030 15.233 29.424 1.00 0.00 C ATOM 905 O GLU A 65 -12.079 15.804 29.203 1.00 0.00 O ATOM 906 CB GLU A 65 -11.112 12.755 29.752 1.00 0.00 C ATOM 907 CG GLU A 65 -12.539 12.298 29.445 1.00 0.00 C ATOM 908 CD GLU A 65 -13.447 12.627 30.631 1.00 0.00 C ATOM 909 OE1 GLU A 65 -13.674 13.801 30.870 1.00 0.00 O ATOM 910 OE2 GLU A 65 -13.900 11.699 31.281 1.00 0.00 O ATOM 0 H GLU A 65 -8.663 13.575 29.295 1.00 0.00 H new ATOM 0 HA GLU A 65 -11.279 13.770 27.862 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -10.422 11.917 29.655 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -11.045 13.105 30.782 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -12.905 12.793 28.545 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -12.554 11.226 29.248 1.00 0.00 H new ATOM 917 N ARG A 66 -10.130 15.752 30.213 1.00 0.00 N ATOM 918 CA ARG A 66 -10.380 17.070 30.862 1.00 0.00 C ATOM 919 C ARG A 66 -10.001 18.196 29.899 1.00 0.00 C ATOM 920 O ARG A 66 -10.751 19.129 29.695 1.00 0.00 O ATOM 921 CB ARG A 66 -9.534 17.180 32.133 1.00 0.00 C ATOM 922 CG ARG A 66 -10.299 16.570 33.310 1.00 0.00 C ATOM 923 CD ARG A 66 -9.311 16.158 34.402 1.00 0.00 C ATOM 924 NE ARG A 66 -8.404 15.098 33.878 1.00 0.00 N ATOM 925 CZ ARG A 66 -7.304 14.800 34.516 1.00 0.00 C ATOM 926 NH1 ARG A 66 -6.993 15.429 35.617 1.00 0.00 N ATOM 927 NH2 ARG A 66 -6.514 13.871 34.052 1.00 0.00 N ATOM 0 H ARG A 66 -9.233 15.321 30.436 1.00 0.00 H new ATOM 0 HA ARG A 66 -11.436 17.153 31.118 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -8.584 16.663 31.996 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -9.302 18.225 32.339 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -11.014 17.291 33.705 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -10.871 15.704 32.976 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -8.730 17.021 34.726 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -9.850 15.791 35.275 1.00 0.00 H new ATOM 0 HE ARG A 66 -8.643 14.604 33.018 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -7.610 16.155 35.981 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -6.133 15.194 36.113 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -6.756 13.379 33.192 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -5.655 13.637 34.549 1.00 0.00 H new ATOM 941 N GLU A 67 -8.841 18.118 29.306 1.00 0.00 N ATOM 942 CA GLU A 67 -8.416 19.187 28.359 1.00 0.00 C ATOM 943 C GLU A 67 -9.284 19.131 27.100 1.00 0.00 C ATOM 944 O GLU A 67 -9.483 20.123 26.428 1.00 0.00 O ATOM 945 CB GLU A 67 -6.949 18.979 27.977 1.00 0.00 C ATOM 946 CG GLU A 67 -6.775 17.594 27.352 1.00 0.00 C ATOM 947 CD GLU A 67 -5.294 17.213 27.361 1.00 0.00 C ATOM 948 OE1 GLU A 67 -4.599 17.636 28.271 1.00 0.00 O ATOM 949 OE2 GLU A 67 -4.879 16.505 26.458 1.00 0.00 O ATOM 0 H GLU A 67 -8.170 17.361 29.436 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.532 20.160 28.837 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.633 19.749 27.274 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -6.316 19.074 28.859 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -7.354 16.857 27.908 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -7.155 17.594 26.331 1.00 0.00 H new ATOM 956 N ILE A 68 -9.805 17.979 26.775 1.00 0.00 N ATOM 957 CA ILE A 68 -10.660 17.863 25.561 1.00 0.00 C ATOM 958 C ILE A 68 -11.946 18.670 25.774 1.00 0.00 C ATOM 959 O ILE A 68 -12.400 19.375 24.894 1.00 0.00 O ATOM 960 CB ILE A 68 -10.979 16.377 25.315 1.00 0.00 C ATOM 961 CG1 ILE A 68 -9.926 15.790 24.372 1.00 0.00 C ATOM 962 CG2 ILE A 68 -12.366 16.210 24.683 1.00 0.00 C ATOM 963 CD1 ILE A 68 -10.361 14.394 23.924 1.00 0.00 C ATOM 0 H ILE A 68 -9.675 17.113 27.298 1.00 0.00 H new ATOM 0 HA ILE A 68 -10.141 18.260 24.688 1.00 0.00 H new ATOM 0 HB ILE A 68 -10.969 15.856 26.272 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -9.798 16.438 23.505 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -8.961 15.737 24.876 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -12.566 15.151 24.520 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -13.122 16.624 25.350 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -12.397 16.736 23.729 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -9.610 13.977 23.253 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -10.467 13.748 24.796 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -11.317 14.460 23.404 1.00 0.00 H new ATOM 975 N GLY A 69 -12.536 18.571 26.932 1.00 0.00 N ATOM 976 CA GLY A 69 -13.790 19.331 27.197 1.00 0.00 C ATOM 977 C GLY A 69 -13.574 20.811 26.876 1.00 0.00 C ATOM 978 O GLY A 69 -14.293 21.397 26.092 1.00 0.00 O ATOM 0 H GLY A 69 -12.204 17.997 27.707 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -14.603 18.932 26.590 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -14.084 19.214 28.240 1.00 0.00 H new ATOM 982 N MET A 70 -12.590 21.422 27.479 1.00 0.00 N ATOM 983 CA MET A 70 -12.332 22.865 27.208 1.00 0.00 C ATOM 984 C MET A 70 -11.852 23.033 25.766 1.00 0.00 C ATOM 985 O MET A 70 -12.014 24.077 25.165 1.00 0.00 O ATOM 986 CB MET A 70 -11.259 23.382 28.168 1.00 0.00 C ATOM 987 CG MET A 70 -11.929 24.065 29.362 1.00 0.00 C ATOM 988 SD MET A 70 -11.071 25.616 29.729 1.00 0.00 S ATOM 989 CE MET A 70 -12.529 26.687 29.727 1.00 0.00 C ATOM 0 H MET A 70 -11.955 20.985 28.147 1.00 0.00 H new ATOM 0 HA MET A 70 -13.251 23.433 27.354 1.00 0.00 H new ATOM 0 HB2 MET A 70 -10.635 22.557 28.511 1.00 0.00 H new ATOM 0 HB3 MET A 70 -10.604 24.085 27.654 1.00 0.00 H new ATOM 0 HG2 MET A 70 -12.978 24.261 29.141 1.00 0.00 H new ATOM 0 HG3 MET A 70 -11.904 23.408 30.232 1.00 0.00 H new ATOM 0 HE1 MET A 70 -12.227 27.713 29.937 1.00 0.00 H new ATOM 0 HE2 MET A 70 -13.011 26.643 28.751 1.00 0.00 H new ATOM 0 HE3 MET A 70 -13.228 26.351 30.493 1.00 0.00 H new ATOM 999 N LEU A 71 -11.266 22.013 25.204 1.00 0.00 N ATOM 1000 CA LEU A 71 -10.782 22.115 23.798 1.00 0.00 C ATOM 1001 C LEU A 71 -11.915 21.727 22.845 1.00 0.00 C ATOM 1002 O LEU A 71 -11.780 21.801 21.640 1.00 0.00 O ATOM 1003 CB LEU A 71 -9.594 21.172 23.595 1.00 0.00 C ATOM 1004 CG LEU A 71 -8.585 21.818 22.643 1.00 0.00 C ATOM 1005 CD1 LEU A 71 -9.249 22.077 21.291 1.00 0.00 C ATOM 1006 CD2 LEU A 71 -8.103 23.144 23.236 1.00 0.00 C ATOM 0 H LEU A 71 -11.101 21.114 25.656 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.467 23.138 23.593 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.120 20.956 24.552 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -9.937 20.221 23.188 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.736 21.149 22.507 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.529 22.537 20.614 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.593 21.133 20.868 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -10.099 22.746 21.425 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.384 23.605 22.559 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -8.953 23.812 23.372 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.628 22.960 24.200 1.00 0.00 H new ATOM 1018 N GLU A 72 -13.036 21.318 23.377 1.00 0.00 N ATOM 1019 CA GLU A 72 -14.178 20.930 22.505 1.00 0.00 C ATOM 1020 C GLU A 72 -14.940 22.188 22.084 1.00 0.00 C ATOM 1021 O GLU A 72 -15.581 22.221 21.052 1.00 0.00 O ATOM 1022 CB GLU A 72 -15.112 19.994 23.278 1.00 0.00 C ATOM 1023 CG GLU A 72 -16.443 19.865 22.534 1.00 0.00 C ATOM 1024 CD GLU A 72 -16.177 19.566 21.058 1.00 0.00 C ATOM 1025 OE1 GLU A 72 -15.253 18.818 20.783 1.00 0.00 O ATOM 1026 OE2 GLU A 72 -16.901 20.089 20.228 1.00 0.00 O ATOM 0 H GLU A 72 -13.208 21.236 24.379 1.00 0.00 H new ATOM 0 HA GLU A 72 -13.807 20.417 21.618 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -14.650 19.013 23.389 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -15.282 20.382 24.282 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -17.042 19.068 22.975 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -17.017 20.787 22.631 1.00 0.00 H new ATOM 1033 N CYS A 73 -14.873 23.225 22.874 1.00 0.00 N ATOM 1034 CA CYS A 73 -15.591 24.481 22.517 1.00 0.00 C ATOM 1035 C CYS A 73 -14.572 25.592 22.256 1.00 0.00 C ATOM 1036 O CYS A 73 -14.374 26.470 23.072 1.00 0.00 O ATOM 1037 CB CYS A 73 -16.507 24.890 23.672 1.00 0.00 C ATOM 1038 SG CYS A 73 -18.056 25.552 23.008 1.00 0.00 S ATOM 0 H CYS A 73 -14.352 23.256 23.751 1.00 0.00 H new ATOM 0 HA CYS A 73 -16.189 24.317 21.620 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -16.711 24.031 24.311 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -16.015 25.639 24.293 1.00 0.00 H new ATOM 0 HG CYS A 73 -18.836 25.898 23.989 1.00 0.00 H new ATOM 1044 N VAL A 74 -13.922 25.561 21.124 1.00 0.00 N ATOM 1045 CA VAL A 74 -12.916 26.615 20.814 1.00 0.00 C ATOM 1046 C VAL A 74 -13.552 27.688 19.929 1.00 0.00 C ATOM 1047 O VAL A 74 -14.684 27.567 19.503 1.00 0.00 O ATOM 1048 CB VAL A 74 -11.727 25.988 20.084 1.00 0.00 C ATOM 1049 CG1 VAL A 74 -11.260 24.745 20.843 1.00 0.00 C ATOM 1050 CG2 VAL A 74 -12.150 25.591 18.668 1.00 0.00 C ATOM 0 H VAL A 74 -14.045 24.852 20.401 1.00 0.00 H new ATOM 0 HA VAL A 74 -12.572 27.071 21.743 1.00 0.00 H new ATOM 0 HB VAL A 74 -10.912 26.709 20.032 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -10.413 24.298 20.323 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -10.959 25.027 21.852 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -12.075 24.023 20.896 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -11.303 25.144 18.147 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -12.965 24.870 18.721 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -12.483 26.476 18.126 1.00 0.00 H new ATOM 1060 N THR A 75 -12.833 28.740 19.654 1.00 0.00 N ATOM 1061 CA THR A 75 -13.394 29.826 18.801 1.00 0.00 C ATOM 1062 C THR A 75 -13.434 29.374 17.341 1.00 0.00 C ATOM 1063 O THR A 75 -14.041 30.013 16.505 1.00 0.00 O ATOM 1064 CB THR A 75 -12.514 31.074 18.912 1.00 0.00 C ATOM 1065 OG1 THR A 75 -12.269 31.358 20.281 1.00 0.00 O ATOM 1066 CG2 THR A 75 -13.224 32.261 18.261 1.00 0.00 C ATOM 0 H THR A 75 -11.880 28.895 19.983 1.00 0.00 H new ATOM 0 HA THR A 75 -14.404 30.054 19.140 1.00 0.00 H new ATOM 0 HB THR A 75 -11.567 30.898 18.403 1.00 0.00 H new ATOM 0 HG1 THR A 75 -11.659 30.686 20.650 1.00 0.00 H new ATOM 0 HG21 THR A 75 -12.596 33.149 18.341 1.00 0.00 H new ATOM 0 HG22 THR A 75 -13.410 32.042 17.210 1.00 0.00 H new ATOM 0 HG23 THR A 75 -14.172 32.440 18.768 1.00 0.00 H new ATOM 1074 N ALA A 76 -12.790 28.286 17.019 1.00 0.00 N ATOM 1075 CA ALA A 76 -12.799 27.822 15.606 1.00 0.00 C ATOM 1076 C ALA A 76 -13.359 26.403 15.529 1.00 0.00 C ATOM 1077 O ALA A 76 -14.153 25.987 16.350 1.00 0.00 O ATOM 1078 CB ALA A 76 -11.371 27.837 15.058 1.00 0.00 C ATOM 0 H ALA A 76 -12.262 27.703 17.669 1.00 0.00 H new ATOM 0 HA ALA A 76 -13.427 28.487 15.013 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -11.375 27.497 14.022 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -10.974 28.851 15.106 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -10.745 27.174 15.655 1.00 0.00 H new ATOM 1084 N GLU A 77 -12.934 25.656 14.553 1.00 0.00 N ATOM 1085 CA GLU A 77 -13.404 24.262 14.403 1.00 0.00 C ATOM 1086 C GLU A 77 -12.217 23.361 14.678 1.00 0.00 C ATOM 1087 O GLU A 77 -11.095 23.784 14.532 1.00 0.00 O ATOM 1088 CB GLU A 77 -13.898 24.034 12.975 1.00 0.00 C ATOM 1089 CG GLU A 77 -13.236 25.023 12.010 1.00 0.00 C ATOM 1090 CD GLU A 77 -13.340 24.486 10.582 1.00 0.00 C ATOM 1091 OE1 GLU A 77 -14.330 24.777 9.931 1.00 0.00 O ATOM 1092 OE2 GLU A 77 -12.428 23.792 10.163 1.00 0.00 O ATOM 0 H GLU A 77 -12.269 25.961 13.842 1.00 0.00 H new ATOM 0 HA GLU A 77 -14.224 24.052 15.090 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -13.676 23.013 12.666 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -14.981 24.150 12.936 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -13.721 25.997 12.080 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -12.190 25.167 12.281 1.00 0.00 H new ATOM 1099 N LEU A 78 -12.417 22.138 15.071 1.00 0.00 N ATOM 1100 CA LEU A 78 -11.223 21.296 15.333 1.00 0.00 C ATOM 1101 C LEU A 78 -11.292 19.964 14.605 1.00 0.00 C ATOM 1102 O LEU A 78 -12.344 19.430 14.312 1.00 0.00 O ATOM 1103 CB LEU A 78 -11.049 21.054 16.832 1.00 0.00 C ATOM 1104 CG LEU A 78 -9.556 20.882 17.106 1.00 0.00 C ATOM 1105 CD1 LEU A 78 -9.094 21.861 18.183 1.00 0.00 C ATOM 1106 CD2 LEU A 78 -9.267 19.450 17.557 1.00 0.00 C ATOM 0 H LEU A 78 -13.324 21.696 15.219 1.00 0.00 H new ATOM 0 HA LEU A 78 -10.361 21.844 14.952 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -11.448 21.892 17.403 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -11.599 20.166 17.142 1.00 0.00 H new ATOM 0 HG LEU A 78 -9.011 21.087 16.185 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -8.028 21.725 18.366 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -9.277 22.882 17.849 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -9.646 21.676 19.104 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -8.200 19.338 17.750 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -9.825 19.236 18.469 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -9.570 18.754 16.775 1.00 0.00 H new ATOM 1118 N LYS A 79 -10.138 19.440 14.324 1.00 0.00 N ATOM 1119 CA LYS A 79 -10.017 18.144 13.621 1.00 0.00 C ATOM 1120 C LYS A 79 -8.903 17.352 14.323 1.00 0.00 C ATOM 1121 O LYS A 79 -8.180 17.903 15.130 1.00 0.00 O ATOM 1122 CB LYS A 79 -9.670 18.425 12.152 1.00 0.00 C ATOM 1123 CG LYS A 79 -10.952 18.421 11.313 1.00 0.00 C ATOM 1124 CD LYS A 79 -11.470 16.990 11.157 1.00 0.00 C ATOM 1125 CE LYS A 79 -12.765 17.000 10.344 1.00 0.00 C ATOM 1126 NZ LYS A 79 -13.628 15.862 10.769 1.00 0.00 N ATOM 0 H LYS A 79 -9.245 19.873 14.562 1.00 0.00 H new ATOM 0 HA LYS A 79 -10.941 17.566 13.647 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -9.168 19.389 12.064 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -8.977 17.670 11.780 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -11.711 19.041 11.790 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -10.756 18.855 10.332 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -10.721 16.373 10.660 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -11.647 16.548 12.137 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -13.291 17.943 10.490 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -12.540 16.922 9.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -14.509 15.869 10.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -13.125 14.966 10.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -13.853 15.956 11.780 1.00 0.00 H new ATOM 1140 N PRO A 80 -8.809 16.088 14.025 1.00 0.00 N ATOM 1141 CA PRO A 80 -7.802 15.207 14.647 1.00 0.00 C ATOM 1142 C PRO A 80 -6.398 15.785 14.468 1.00 0.00 C ATOM 1143 O PRO A 80 -5.467 15.413 15.153 1.00 0.00 O ATOM 1144 CB PRO A 80 -7.948 13.870 13.909 1.00 0.00 C ATOM 1145 CG PRO A 80 -9.128 14.011 12.911 1.00 0.00 C ATOM 1146 CD PRO A 80 -9.681 15.440 13.043 1.00 0.00 C ATOM 0 HA PRO A 80 -7.950 15.098 15.721 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -7.027 13.622 13.381 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -8.138 13.062 14.615 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -8.791 13.823 11.891 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -9.905 13.278 13.130 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -9.658 15.963 12.087 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -10.718 15.434 13.378 1.00 0.00 H new ATOM 1154 N ASN A 81 -6.242 16.688 13.548 1.00 0.00 N ATOM 1155 CA ASN A 81 -4.903 17.295 13.309 1.00 0.00 C ATOM 1156 C ASN A 81 -4.642 18.430 14.310 1.00 0.00 C ATOM 1157 O ASN A 81 -3.521 18.653 14.723 1.00 0.00 O ATOM 1158 CB ASN A 81 -4.848 17.852 11.886 1.00 0.00 C ATOM 1159 CG ASN A 81 -3.461 17.597 11.299 1.00 0.00 C ATOM 1160 OD1 ASN A 81 -3.297 17.542 10.096 1.00 0.00 O ATOM 1161 ND2 ASN A 81 -2.448 17.438 12.104 1.00 0.00 N ATOM 0 H ASN A 81 -6.988 17.036 12.945 1.00 0.00 H new ATOM 0 HA ASN A 81 -4.139 16.528 13.439 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -5.610 17.378 11.268 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -5.062 18.921 11.893 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -1.517 17.267 11.724 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -2.587 17.484 13.113 1.00 0.00 H new ATOM 1168 N SER A 82 -5.659 19.152 14.702 1.00 0.00 N ATOM 1169 CA SER A 82 -5.447 20.271 15.672 1.00 0.00 C ATOM 1170 C SER A 82 -4.904 19.715 16.983 1.00 0.00 C ATOM 1171 O SER A 82 -5.044 18.544 17.270 1.00 0.00 O ATOM 1172 CB SER A 82 -6.763 20.983 15.934 1.00 0.00 C ATOM 1173 OG SER A 82 -7.539 20.980 14.745 1.00 0.00 O ATOM 0 H SER A 82 -6.623 19.018 14.396 1.00 0.00 H new ATOM 0 HA SER A 82 -4.732 20.978 15.250 1.00 0.00 H new ATOM 0 HB2 SER A 82 -7.306 20.486 16.738 1.00 0.00 H new ATOM 0 HB3 SER A 82 -6.578 22.007 16.260 1.00 0.00 H new ATOM 0 HG SER A 82 -7.077 21.495 14.051 1.00 0.00 H new ATOM 1179 N ARG A 83 -4.286 20.542 17.786 1.00 0.00 N ATOM 1180 CA ARG A 83 -3.734 20.040 19.078 1.00 0.00 C ATOM 1181 C ARG A 83 -3.510 21.211 20.033 1.00 0.00 C ATOM 1182 O ARG A 83 -3.547 22.362 19.643 1.00 0.00 O ATOM 1183 CB ARG A 83 -2.392 19.344 18.824 1.00 0.00 C ATOM 1184 CG ARG A 83 -2.628 17.930 18.285 1.00 0.00 C ATOM 1185 CD ARG A 83 -3.589 17.175 19.208 1.00 0.00 C ATOM 1186 NE ARG A 83 -3.315 17.540 20.635 1.00 0.00 N ATOM 1187 CZ ARG A 83 -2.115 17.440 21.144 1.00 0.00 C ATOM 1188 NH1 ARG A 83 -1.172 16.812 20.498 1.00 0.00 N ATOM 1189 NH2 ARG A 83 -1.877 17.914 22.336 1.00 0.00 N ATOM 0 H ARG A 83 -4.141 21.535 17.605 1.00 0.00 H new ATOM 0 HA ARG A 83 -4.441 19.337 19.519 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -1.804 19.920 18.110 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -1.816 19.298 19.748 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -3.041 17.980 17.277 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -1.681 17.395 18.215 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -4.620 17.419 18.952 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -3.472 16.100 19.069 1.00 0.00 H new ATOM 0 HE ARG A 83 -4.080 17.873 21.221 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -1.368 16.394 19.588 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -0.238 16.739 20.902 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -2.625 18.360 22.866 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -0.942 17.838 22.738 1.00 0.00 H new ATOM 1203 N LEU A 84 -3.261 20.925 21.281 1.00 0.00 N ATOM 1204 CA LEU A 84 -3.014 22.017 22.261 1.00 0.00 C ATOM 1205 C LEU A 84 -1.521 22.346 22.258 1.00 0.00 C ATOM 1206 O LEU A 84 -0.701 21.547 22.661 1.00 0.00 O ATOM 1207 CB LEU A 84 -3.439 21.559 23.657 1.00 0.00 C ATOM 1208 CG LEU A 84 -4.870 22.022 23.934 1.00 0.00 C ATOM 1209 CD1 LEU A 84 -5.824 20.834 23.808 1.00 0.00 C ATOM 1210 CD2 LEU A 84 -4.954 22.593 25.352 1.00 0.00 C ATOM 0 H LEU A 84 -3.218 19.981 21.664 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.590 22.901 21.988 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -3.377 20.473 23.729 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.762 21.968 24.407 1.00 0.00 H new ATOM 0 HG LEU A 84 -5.149 22.791 23.213 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -6.844 21.164 24.005 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -5.764 20.424 22.800 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -5.545 20.065 24.529 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -5.973 22.924 25.551 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -4.675 21.823 26.071 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.273 23.439 25.444 1.00 0.00 H new ATOM 1222 N CYS A 85 -1.160 23.510 21.795 1.00 0.00 N ATOM 1223 CA CYS A 85 0.283 23.883 21.752 1.00 0.00 C ATOM 1224 C CYS A 85 0.846 23.991 23.172 1.00 0.00 C ATOM 1225 O CYS A 85 2.033 24.167 23.362 1.00 0.00 O ATOM 1226 CB CYS A 85 0.438 25.229 21.042 1.00 0.00 C ATOM 1227 SG CYS A 85 1.858 25.161 19.922 1.00 0.00 S ATOM 0 H CYS A 85 -1.802 24.221 21.444 1.00 0.00 H new ATOM 0 HA CYS A 85 0.832 23.112 21.211 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -0.468 25.464 20.484 1.00 0.00 H new ATOM 0 HB3 CYS A 85 0.577 26.025 21.774 1.00 0.00 H new ATOM 0 HG CYS A 85 2.433 26.326 19.879 1.00 0.00 H new ATOM 1233 N CYS A 86 0.013 23.895 24.172 1.00 0.00 N ATOM 1234 CA CYS A 86 0.523 24.005 25.568 1.00 0.00 C ATOM 1235 C CYS A 86 0.539 22.628 26.238 1.00 0.00 C ATOM 1236 O CYS A 86 0.686 22.521 27.440 1.00 0.00 O ATOM 1237 CB CYS A 86 -0.382 24.937 26.371 1.00 0.00 C ATOM 1238 SG CYS A 86 -2.040 24.221 26.473 1.00 0.00 S ATOM 0 H CYS A 86 -0.992 23.746 24.084 1.00 0.00 H new ATOM 0 HA CYS A 86 1.537 24.403 25.539 1.00 0.00 H new ATOM 0 HB2 CYS A 86 0.025 25.084 27.371 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -0.426 25.918 25.897 1.00 0.00 H new ATOM 0 HG CYS A 86 -2.302 23.906 27.707 1.00 0.00 H new ATOM 1243 N GLN A 87 0.387 21.572 25.487 1.00 0.00 N ATOM 1244 CA GLN A 87 0.395 20.219 26.116 1.00 0.00 C ATOM 1245 C GLN A 87 1.182 19.231 25.248 1.00 0.00 C ATOM 1246 O GLN A 87 1.266 18.059 25.556 1.00 0.00 O ATOM 1247 CB GLN A 87 -1.044 19.725 26.286 1.00 0.00 C ATOM 1248 CG GLN A 87 -1.598 19.260 24.938 1.00 0.00 C ATOM 1249 CD GLN A 87 -2.996 18.674 25.139 1.00 0.00 C ATOM 1250 OE1 GLN A 87 -3.278 17.578 24.698 1.00 0.00 O ATOM 1251 NE2 GLN A 87 -3.892 19.363 25.792 1.00 0.00 N ATOM 0 H GLN A 87 0.259 21.585 24.475 1.00 0.00 H new ATOM 0 HA GLN A 87 0.876 20.286 27.092 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -1.074 18.905 27.004 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -1.667 20.524 26.689 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -1.639 20.097 24.241 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -0.938 18.512 24.499 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -3.657 20.284 26.163 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -4.827 18.981 25.931 1.00 0.00 H new ATOM 1260 N ILE A 88 1.766 19.686 24.173 1.00 0.00 N ATOM 1261 CA ILE A 88 2.548 18.754 23.309 1.00 0.00 C ATOM 1262 C ILE A 88 4.039 19.000 23.526 1.00 0.00 C ATOM 1263 O ILE A 88 4.466 20.109 23.779 1.00 0.00 O ATOM 1264 CB ILE A 88 2.216 18.974 21.827 1.00 0.00 C ATOM 1265 CG1 ILE A 88 0.981 19.868 21.682 1.00 0.00 C ATOM 1266 CG2 ILE A 88 1.941 17.623 21.164 1.00 0.00 C ATOM 1267 CD1 ILE A 88 0.620 20.002 20.201 1.00 0.00 C ATOM 0 H ILE A 88 1.737 20.655 23.857 1.00 0.00 H new ATOM 0 HA ILE A 88 2.288 17.730 23.578 1.00 0.00 H new ATOM 0 HB ILE A 88 3.064 19.461 21.345 1.00 0.00 H new ATOM 0 HG12 ILE A 88 0.143 19.442 22.234 1.00 0.00 H new ATOM 0 HG13 ILE A 88 1.178 20.851 22.110 1.00 0.00 H new ATOM 0 HG21 ILE A 88 1.705 17.776 20.111 1.00 0.00 H new ATOM 0 HG22 ILE A 88 2.824 16.989 21.250 1.00 0.00 H new ATOM 0 HG23 ILE A 88 1.098 17.140 21.658 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -0.259 20.638 20.097 1.00 0.00 H new ATOM 0 HD12 ILE A 88 1.456 20.447 19.662 1.00 0.00 H new ATOM 0 HD13 ILE A 88 0.405 19.016 19.788 1.00 0.00 H new ATOM 1279 N ILE A 89 4.836 17.973 23.434 1.00 0.00 N ATOM 1280 CA ILE A 89 6.293 18.141 23.637 1.00 0.00 C ATOM 1281 C ILE A 89 7.032 17.803 22.340 1.00 0.00 C ATOM 1282 O ILE A 89 6.518 17.112 21.483 1.00 0.00 O ATOM 1283 CB ILE A 89 6.749 17.193 24.743 1.00 0.00 C ATOM 1284 CG1 ILE A 89 6.154 17.637 26.083 1.00 0.00 C ATOM 1285 CG2 ILE A 89 8.268 17.216 24.825 1.00 0.00 C ATOM 1286 CD1 ILE A 89 6.324 19.149 26.248 1.00 0.00 C ATOM 0 H ILE A 89 4.535 17.021 23.226 1.00 0.00 H new ATOM 0 HA ILE A 89 6.511 19.171 23.917 1.00 0.00 H new ATOM 0 HB ILE A 89 6.409 16.182 24.520 1.00 0.00 H new ATOM 0 HG12 ILE A 89 5.097 17.373 26.128 1.00 0.00 H new ATOM 0 HG13 ILE A 89 6.648 17.114 26.902 1.00 0.00 H new ATOM 0 HG21 ILE A 89 8.600 16.541 25.613 1.00 0.00 H new ATOM 0 HG22 ILE A 89 8.689 16.896 23.872 1.00 0.00 H new ATOM 0 HG23 ILE A 89 8.605 18.228 25.049 1.00 0.00 H new ATOM 0 HD11 ILE A 89 5.900 19.461 27.202 1.00 0.00 H new ATOM 0 HD12 ILE A 89 7.384 19.401 26.223 1.00 0.00 H new ATOM 0 HD13 ILE A 89 5.809 19.664 25.437 1.00 0.00 H new ATOM 1298 N MET A 90 8.236 18.282 22.192 1.00 0.00 N ATOM 1299 CA MET A 90 9.009 17.986 20.956 1.00 0.00 C ATOM 1300 C MET A 90 10.379 17.433 21.339 1.00 0.00 C ATOM 1301 O MET A 90 11.310 18.168 21.603 1.00 0.00 O ATOM 1302 CB MET A 90 9.183 19.263 20.138 1.00 0.00 C ATOM 1303 CG MET A 90 10.234 19.043 19.043 1.00 0.00 C ATOM 1304 SD MET A 90 9.905 17.483 18.182 1.00 0.00 S ATOM 1305 CE MET A 90 9.773 18.161 16.510 1.00 0.00 C ATOM 0 H MET A 90 8.718 18.866 22.875 1.00 0.00 H new ATOM 0 HA MET A 90 8.471 17.250 20.359 1.00 0.00 H new ATOM 0 HB2 MET A 90 8.232 19.550 19.689 1.00 0.00 H new ATOM 0 HB3 MET A 90 9.489 20.083 20.788 1.00 0.00 H new ATOM 0 HG2 MET A 90 10.214 19.871 18.335 1.00 0.00 H new ATOM 0 HG3 MET A 90 11.231 19.023 19.482 1.00 0.00 H new ATOM 0 HE1 MET A 90 8.877 17.769 16.028 1.00 0.00 H new ATOM 0 HE2 MET A 90 9.711 19.248 16.562 1.00 0.00 H new ATOM 0 HE3 MET A 90 10.651 17.875 15.931 1.00 0.00 H new ATOM 1315 N THR A 91 10.502 16.141 21.372 1.00 0.00 N ATOM 1316 CA THR A 91 11.805 15.518 21.738 1.00 0.00 C ATOM 1317 C THR A 91 12.668 15.360 20.482 1.00 0.00 C ATOM 1318 O THR A 91 12.201 15.573 19.381 1.00 0.00 O ATOM 1319 CB THR A 91 11.554 14.143 22.362 1.00 0.00 C ATOM 1320 OG1 THR A 91 10.170 13.835 22.281 1.00 0.00 O ATOM 1321 CG2 THR A 91 11.991 14.157 23.827 1.00 0.00 C ATOM 0 H THR A 91 9.753 15.482 21.160 1.00 0.00 H new ATOM 0 HA THR A 91 12.323 16.154 22.455 1.00 0.00 H new ATOM 0 HB THR A 91 12.127 13.389 21.823 1.00 0.00 H new ATOM 0 HG1 THR A 91 10.007 12.954 22.678 1.00 0.00 H new ATOM 0 HG21 THR A 91 11.812 13.177 24.270 1.00 0.00 H new ATOM 0 HG22 THR A 91 13.053 14.393 23.888 1.00 0.00 H new ATOM 0 HG23 THR A 91 11.420 14.910 24.370 1.00 0.00 H new ATOM 1329 N PRO A 92 13.907 14.990 20.688 1.00 0.00 N ATOM 1330 CA PRO A 92 14.862 14.795 19.583 1.00 0.00 C ATOM 1331 C PRO A 92 14.359 13.706 18.631 1.00 0.00 C ATOM 1332 O PRO A 92 14.836 13.571 17.522 1.00 0.00 O ATOM 1333 CB PRO A 92 16.168 14.359 20.264 1.00 0.00 C ATOM 1334 CG PRO A 92 15.917 14.336 21.794 1.00 0.00 C ATOM 1335 CD PRO A 92 14.453 14.737 22.034 1.00 0.00 C ATOM 0 HA PRO A 92 14.994 15.697 18.985 1.00 0.00 H new ATOM 0 HB2 PRO A 92 16.473 13.374 19.912 1.00 0.00 H new ATOM 0 HB3 PRO A 92 16.976 15.049 20.019 1.00 0.00 H new ATOM 0 HG2 PRO A 92 16.113 13.343 22.199 1.00 0.00 H new ATOM 0 HG3 PRO A 92 16.591 15.026 22.302 1.00 0.00 H new ATOM 0 HD2 PRO A 92 13.904 13.944 22.541 1.00 0.00 H new ATOM 0 HD3 PRO A 92 14.384 15.625 22.662 1.00 0.00 H new ATOM 1343 N GLU A 93 13.398 12.929 19.053 1.00 0.00 N ATOM 1344 CA GLU A 93 12.869 11.854 18.167 1.00 0.00 C ATOM 1345 C GLU A 93 12.169 12.491 16.964 1.00 0.00 C ATOM 1346 O GLU A 93 12.397 12.117 15.831 1.00 0.00 O ATOM 1347 CB GLU A 93 11.874 10.989 18.945 1.00 0.00 C ATOM 1348 CG GLU A 93 10.691 11.847 19.400 1.00 0.00 C ATOM 1349 CD GLU A 93 9.785 11.023 20.316 1.00 0.00 C ATOM 1350 OE1 GLU A 93 10.297 10.138 20.983 1.00 0.00 O ATOM 1351 OE2 GLU A 93 8.595 11.290 20.336 1.00 0.00 O ATOM 0 H GLU A 93 12.958 12.992 19.971 1.00 0.00 H new ATOM 0 HA GLU A 93 13.691 11.228 17.821 1.00 0.00 H new ATOM 0 HB2 GLU A 93 11.522 10.170 18.318 1.00 0.00 H new ATOM 0 HB3 GLU A 93 12.365 10.541 19.809 1.00 0.00 H new ATOM 0 HG2 GLU A 93 11.051 12.731 19.926 1.00 0.00 H new ATOM 0 HG3 GLU A 93 10.129 12.198 18.535 1.00 0.00 H new ATOM 1358 N LEU A 94 11.321 13.454 17.202 1.00 0.00 N ATOM 1359 CA LEU A 94 10.610 14.118 16.074 1.00 0.00 C ATOM 1360 C LEU A 94 11.479 15.253 15.529 1.00 0.00 C ATOM 1361 O LEU A 94 12.277 15.829 16.241 1.00 0.00 O ATOM 1362 CB LEU A 94 9.284 14.687 16.579 1.00 0.00 C ATOM 1363 CG LEU A 94 8.245 13.570 16.646 1.00 0.00 C ATOM 1364 CD1 LEU A 94 7.893 13.285 18.107 1.00 0.00 C ATOM 1365 CD2 LEU A 94 6.986 14.003 15.893 1.00 0.00 C ATOM 0 H LEU A 94 11.090 13.810 18.130 1.00 0.00 H new ATOM 0 HA LEU A 94 10.417 13.394 15.282 1.00 0.00 H new ATOM 0 HB2 LEU A 94 9.419 15.133 17.565 1.00 0.00 H new ATOM 0 HB3 LEU A 94 8.939 15.480 15.915 1.00 0.00 H new ATOM 0 HG LEU A 94 8.651 12.667 16.189 1.00 0.00 H new ATOM 0 HD11 LEU A 94 7.151 12.488 18.154 1.00 0.00 H new ATOM 0 HD12 LEU A 94 8.790 12.978 18.644 1.00 0.00 H new ATOM 0 HD13 LEU A 94 7.486 14.186 18.566 1.00 0.00 H new ATOM 0 HD21 LEU A 94 6.243 13.207 15.939 1.00 0.00 H new ATOM 0 HD22 LEU A 94 6.581 14.905 16.351 1.00 0.00 H new ATOM 0 HD23 LEU A 94 7.236 14.205 14.852 1.00 0.00 H new ATOM 1377 N ASP A 95 11.336 15.580 14.273 1.00 0.00 N ATOM 1378 CA ASP A 95 12.162 16.679 13.700 1.00 0.00 C ATOM 1379 C ASP A 95 11.528 17.190 12.404 1.00 0.00 C ATOM 1380 O ASP A 95 11.131 16.423 11.550 1.00 0.00 O ATOM 1381 CB ASP A 95 13.570 16.157 13.406 1.00 0.00 C ATOM 1382 CG ASP A 95 13.475 14.832 12.647 1.00 0.00 C ATOM 1383 OD1 ASP A 95 13.238 14.873 11.451 1.00 0.00 O ATOM 1384 OD2 ASP A 95 13.641 13.799 13.274 1.00 0.00 O ATOM 0 H ASP A 95 10.687 15.136 13.623 1.00 0.00 H new ATOM 0 HA ASP A 95 12.215 17.497 14.418 1.00 0.00 H new ATOM 0 HB2 ASP A 95 14.124 16.887 12.816 1.00 0.00 H new ATOM 0 HB3 ASP A 95 14.119 16.016 14.337 1.00 0.00 H new ATOM 1389 N GLY A 96 11.436 18.484 12.251 1.00 0.00 N ATOM 1390 CA GLY A 96 10.835 19.050 11.010 1.00 0.00 C ATOM 1391 C GLY A 96 9.311 18.960 11.087 1.00 0.00 C ATOM 1392 O GLY A 96 8.646 18.710 10.101 1.00 0.00 O ATOM 0 H GLY A 96 11.752 19.174 12.933 1.00 0.00 H new ATOM 0 HA2 GLY A 96 11.142 20.089 10.887 1.00 0.00 H new ATOM 0 HA3 GLY A 96 11.197 18.505 10.138 1.00 0.00 H new ATOM 1396 N ILE A 97 8.749 19.167 12.246 1.00 0.00 N ATOM 1397 CA ILE A 97 7.264 19.092 12.373 1.00 0.00 C ATOM 1398 C ILE A 97 6.651 20.386 11.835 1.00 0.00 C ATOM 1399 O ILE A 97 7.254 21.440 11.898 1.00 0.00 O ATOM 1400 CB ILE A 97 6.876 18.893 13.846 1.00 0.00 C ATOM 1401 CG1 ILE A 97 5.393 19.249 14.049 1.00 0.00 C ATOM 1402 CG2 ILE A 97 7.753 19.779 14.734 1.00 0.00 C ATOM 1403 CD1 ILE A 97 5.225 20.763 14.228 1.00 0.00 C ATOM 0 H ILE A 97 9.250 19.384 13.108 1.00 0.00 H new ATOM 0 HA ILE A 97 6.887 18.247 11.797 1.00 0.00 H new ATOM 0 HB ILE A 97 7.030 17.849 14.120 1.00 0.00 H new ATOM 0 HG12 ILE A 97 4.811 18.911 13.192 1.00 0.00 H new ATOM 0 HG13 ILE A 97 5.004 18.728 14.924 1.00 0.00 H new ATOM 0 HG21 ILE A 97 7.475 19.636 15.778 1.00 0.00 H new ATOM 0 HG22 ILE A 97 8.800 19.509 14.596 1.00 0.00 H new ATOM 0 HG23 ILE A 97 7.609 20.824 14.460 1.00 0.00 H new ATOM 0 HD11 ILE A 97 4.170 20.998 14.370 1.00 0.00 H new ATOM 0 HD12 ILE A 97 5.791 21.091 15.100 1.00 0.00 H new ATOM 0 HD13 ILE A 97 5.595 21.277 13.341 1.00 0.00 H new ATOM 1415 N VAL A 98 5.462 20.321 11.299 1.00 0.00 N ATOM 1416 CA VAL A 98 4.832 21.554 10.756 1.00 0.00 C ATOM 1417 C VAL A 98 3.596 21.913 11.581 1.00 0.00 C ATOM 1418 O VAL A 98 2.585 21.240 11.530 1.00 0.00 O ATOM 1419 CB VAL A 98 4.420 21.317 9.303 1.00 0.00 C ATOM 1420 CG1 VAL A 98 4.155 22.660 8.620 1.00 0.00 C ATOM 1421 CG2 VAL A 98 5.545 20.585 8.567 1.00 0.00 C ATOM 0 H VAL A 98 4.904 19.471 11.215 1.00 0.00 H new ATOM 0 HA VAL A 98 5.548 22.374 10.806 1.00 0.00 H new ATOM 0 HB VAL A 98 3.514 20.712 9.278 1.00 0.00 H new ATOM 0 HG11 VAL A 98 3.861 22.490 7.584 1.00 0.00 H new ATOM 0 HG12 VAL A 98 3.354 23.182 9.143 1.00 0.00 H new ATOM 0 HG13 VAL A 98 5.061 23.266 8.645 1.00 0.00 H new ATOM 0 HG21 VAL A 98 5.252 20.416 7.531 1.00 0.00 H new ATOM 0 HG22 VAL A 98 6.451 21.190 8.594 1.00 0.00 H new ATOM 0 HG23 VAL A 98 5.734 19.627 9.052 1.00 0.00 H new ATOM 1431 N VAL A 99 3.664 22.979 12.328 1.00 0.00 N ATOM 1432 CA VAL A 99 2.492 23.398 13.140 1.00 0.00 C ATOM 1433 C VAL A 99 1.818 24.567 12.431 1.00 0.00 C ATOM 1434 O VAL A 99 2.461 25.347 11.758 1.00 0.00 O ATOM 1435 CB VAL A 99 2.928 23.828 14.550 1.00 0.00 C ATOM 1436 CG1 VAL A 99 2.512 22.754 15.556 1.00 0.00 C ATOM 1437 CG2 VAL A 99 4.449 24.008 14.608 1.00 0.00 C ATOM 0 H VAL A 99 4.485 23.579 12.410 1.00 0.00 H new ATOM 0 HA VAL A 99 1.802 22.561 13.243 1.00 0.00 H new ATOM 0 HB VAL A 99 2.449 24.776 14.793 1.00 0.00 H new ATOM 0 HG11 VAL A 99 2.819 23.055 16.558 1.00 0.00 H new ATOM 0 HG12 VAL A 99 1.429 22.631 15.530 1.00 0.00 H new ATOM 0 HG13 VAL A 99 2.990 21.809 15.298 1.00 0.00 H new ATOM 0 HG21 VAL A 99 4.741 24.313 15.613 1.00 0.00 H new ATOM 0 HG22 VAL A 99 4.937 23.066 14.358 1.00 0.00 H new ATOM 0 HG23 VAL A 99 4.752 24.774 13.894 1.00 0.00 H new ATOM 1447 N ASP A 100 0.531 24.696 12.561 1.00 0.00 N ATOM 1448 CA ASP A 100 -0.162 25.816 11.875 1.00 0.00 C ATOM 1449 C ASP A 100 -0.979 26.610 12.884 1.00 0.00 C ATOM 1450 O ASP A 100 -1.051 26.275 14.049 1.00 0.00 O ATOM 1451 CB ASP A 100 -1.090 25.268 10.787 1.00 0.00 C ATOM 1452 CG ASP A 100 -0.316 24.300 9.890 1.00 0.00 C ATOM 1453 OD1 ASP A 100 0.516 23.575 10.410 1.00 0.00 O ATOM 1454 OD2 ASP A 100 -0.568 24.299 8.696 1.00 0.00 O ATOM 0 H ASP A 100 -0.068 24.079 13.109 1.00 0.00 H new ATOM 0 HA ASP A 100 0.583 26.467 11.418 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -1.939 24.758 11.242 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -1.493 26.088 10.192 1.00 0.00 H new ATOM 1459 N VAL A 101 -1.590 27.666 12.440 1.00 0.00 N ATOM 1460 CA VAL A 101 -2.405 28.496 13.376 1.00 0.00 C ATOM 1461 C VAL A 101 -3.895 28.261 13.110 1.00 0.00 C ATOM 1462 O VAL A 101 -4.298 28.042 11.986 1.00 0.00 O ATOM 1463 CB VAL A 101 -2.057 29.991 13.185 1.00 0.00 C ATOM 1464 CG1 VAL A 101 -3.132 30.899 13.797 1.00 0.00 C ATOM 1465 CG2 VAL A 101 -0.717 30.282 13.865 1.00 0.00 C ATOM 0 H VAL A 101 -1.564 27.994 11.475 1.00 0.00 H new ATOM 0 HA VAL A 101 -2.180 28.210 14.404 1.00 0.00 H new ATOM 0 HB VAL A 101 -2.002 30.195 12.116 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -2.856 31.943 13.645 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -4.090 30.703 13.316 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -3.214 30.697 14.865 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -0.464 31.334 13.735 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -0.792 30.055 14.929 1.00 0.00 H new ATOM 0 HG23 VAL A 101 0.061 29.664 13.416 1.00 0.00 H new ATOM 1475 N PRO A 102 -4.668 28.320 14.168 1.00 0.00 N ATOM 1476 CA PRO A 102 -6.124 28.123 14.094 1.00 0.00 C ATOM 1477 C PRO A 102 -6.745 29.071 13.068 1.00 0.00 C ATOM 1478 O PRO A 102 -6.055 29.797 12.381 1.00 0.00 O ATOM 1479 CB PRO A 102 -6.634 28.472 15.488 1.00 0.00 C ATOM 1480 CG PRO A 102 -5.400 28.616 16.410 1.00 0.00 C ATOM 1481 CD PRO A 102 -4.153 28.588 15.524 1.00 0.00 C ATOM 0 HA PRO A 102 -6.381 27.108 13.791 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -7.207 29.399 15.466 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -7.301 27.694 15.859 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -5.449 29.549 16.972 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -5.370 27.806 17.139 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -3.616 29.536 15.564 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -3.456 27.813 15.844 1.00 0.00 H new ATOM 1489 N ASP A 103 -8.046 29.095 12.985 1.00 0.00 N ATOM 1490 CA ASP A 103 -8.714 30.025 12.034 1.00 0.00 C ATOM 1491 C ASP A 103 -9.024 31.324 12.779 1.00 0.00 C ATOM 1492 O ASP A 103 -9.250 32.362 12.190 1.00 0.00 O ATOM 1493 CB ASP A 103 -10.011 29.399 11.522 1.00 0.00 C ATOM 1494 CG ASP A 103 -9.870 29.077 10.033 1.00 0.00 C ATOM 1495 OD1 ASP A 103 -8.749 28.878 9.594 1.00 0.00 O ATOM 1496 OD2 ASP A 103 -10.885 29.036 9.358 1.00 0.00 O ATOM 0 H ASP A 103 -8.675 28.510 13.535 1.00 0.00 H new ATOM 0 HA ASP A 103 -8.065 30.224 11.181 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -10.234 28.491 12.082 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -10.844 30.084 11.679 1.00 0.00 H new ATOM 1501 N ARG A 104 -9.012 31.260 14.081 1.00 0.00 N ATOM 1502 CA ARG A 104 -9.277 32.468 14.912 1.00 0.00 C ATOM 1503 C ARG A 104 -8.166 32.575 15.958 1.00 0.00 C ATOM 1504 O ARG A 104 -7.122 31.967 15.823 1.00 0.00 O ATOM 1505 CB ARG A 104 -10.641 32.366 15.625 1.00 0.00 C ATOM 1506 CG ARG A 104 -11.261 30.971 15.452 1.00 0.00 C ATOM 1507 CD ARG A 104 -12.293 31.001 14.319 1.00 0.00 C ATOM 1508 NE ARG A 104 -11.796 31.859 13.205 1.00 0.00 N ATOM 1509 CZ ARG A 104 -12.368 31.805 12.031 1.00 0.00 C ATOM 1510 NH1 ARG A 104 -13.378 31.002 11.828 1.00 0.00 N ATOM 1511 NH2 ARG A 104 -11.930 32.557 11.059 1.00 0.00 N ATOM 0 H ARG A 104 -8.827 30.409 14.612 1.00 0.00 H new ATOM 0 HA ARG A 104 -9.299 33.349 14.270 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -10.516 32.581 16.686 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -11.320 33.120 15.225 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -10.482 30.242 15.228 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -11.736 30.656 16.381 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -12.478 29.990 13.957 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -13.243 31.385 14.690 1.00 0.00 H new ATOM 0 HE ARG A 104 -11.009 32.489 13.359 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -13.723 30.414 12.587 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -13.822 30.963 10.910 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -11.142 33.186 11.216 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -12.375 32.516 10.142 1.00 0.00 H new ATOM 1525 N GLN A 105 -8.368 33.333 16.999 1.00 0.00 N ATOM 1526 CA GLN A 105 -7.304 33.451 18.035 1.00 0.00 C ATOM 1527 C GLN A 105 -7.935 33.742 19.399 1.00 0.00 C ATOM 1528 O GLN A 105 -7.293 34.266 20.288 1.00 0.00 O ATOM 1529 CB GLN A 105 -6.352 34.589 17.660 1.00 0.00 C ATOM 1530 CG GLN A 105 -5.171 34.608 18.632 1.00 0.00 C ATOM 1531 CD GLN A 105 -5.173 35.924 19.411 1.00 0.00 C ATOM 1532 OE1 GLN A 105 -5.801 36.882 19.007 1.00 0.00 O ATOM 1533 NE2 GLN A 105 -4.491 36.013 20.520 1.00 0.00 N ATOM 0 H GLN A 105 -9.216 33.872 17.177 1.00 0.00 H new ATOM 0 HA GLN A 105 -6.751 32.513 18.089 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -5.994 34.456 16.639 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -6.878 35.543 17.692 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -5.239 33.766 19.320 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -4.234 34.498 18.085 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -3.963 35.209 20.860 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -4.486 36.886 21.047 1.00 0.00 H new ATOM 1542 N TRP A 106 -9.184 33.406 19.575 1.00 0.00 N ATOM 1543 CA TRP A 106 -9.846 33.663 20.886 1.00 0.00 C ATOM 1544 C TRP A 106 -9.478 35.064 21.379 1.00 0.00 C ATOM 1545 O TRP A 106 -8.642 35.159 22.262 1.00 0.00 O ATOM 1546 CB TRP A 106 -9.376 32.624 21.904 1.00 0.00 C ATOM 1547 CG TRP A 106 -10.453 31.607 22.107 1.00 0.00 C ATOM 1548 CD1 TRP A 106 -10.392 30.318 21.701 1.00 0.00 C ATOM 1549 CD2 TRP A 106 -11.746 31.772 22.756 1.00 0.00 C ATOM 1550 NE1 TRP A 106 -11.568 29.682 22.058 1.00 0.00 N ATOM 1551 CE2 TRP A 106 -12.433 30.536 22.712 1.00 0.00 C ATOM 1552 CE3 TRP A 106 -12.382 32.864 23.371 1.00 0.00 C ATOM 1553 CZ2 TRP A 106 -13.708 30.389 23.260 1.00 0.00 C ATOM 1554 CZ3 TRP A 106 -13.665 32.720 23.924 1.00 0.00 C ATOM 1555 CH2 TRP A 106 -14.327 31.485 23.869 1.00 0.00 C ATOM 1556 OXT TRP A 106 -10.038 36.018 20.864 1.00 0.00 O ATOM 0 H TRP A 106 -9.774 32.965 18.869 1.00 0.00 H new ATOM 0 HA TRP A 106 -10.927 33.594 20.767 1.00 0.00 H new ATOM 0 HB2 TRP A 106 -8.465 32.140 21.552 1.00 0.00 H new ATOM 0 HB3 TRP A 106 -9.135 33.109 22.850 1.00 0.00 H new ATOM 0 HD1 TRP A 106 -9.562 29.860 21.183 1.00 0.00 H new ATOM 0 HE1 TRP A 106 -11.771 28.702 21.862 1.00 0.00 H new ATOM 0 HE3 TRP A 106 -11.881 33.820 23.419 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 -14.213 29.435 23.214 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 -14.145 33.566 24.394 1.00 0.00 H new ATOM 0 HH2 TRP A 106 -15.313 31.381 24.296 1.00 0.00 H new