USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 619 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 13 THR OG1 : rot 180:sc= 0.00158 USER MOD Set 1.2: A 41 GLN : amide:sc= 1.16 K(o=1.2,f=-3.5!) USER MOD Set 2.1: A 1 GLY N :NH3+ -155:sc= 1.4 (180deg=0.00427) USER MOD Set 2.2: A 32 GLN : amide:sc= 0.0265 K(o=1.4,f=-8.1!) USER MOD Single : A 6 LYS NZ :NH3+ -144:sc= 1.21 (180deg=1.04) USER MOD Single : A 7 MET CE :methyl -119:sc= -0.0337 (180deg=-0.182) USER MOD Single : A 8 LYS NZ :NH3+ -131:sc= 0.42 (180deg=-1.06!) USER MOD Single : A 12 MET CE :methyl 168:sc= -1.28 (180deg=-2.13) USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=-0.081) USER MOD Single : A 16 SER OG : rot 180:sc= 0.0498 USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.106 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 77:sc= 0.474 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -0.184 K(o=-0.18,f=-1.1) USER MOD Single : A 44 THR OG1 : rot 87:sc= 0.51 USER MOD Single : A 47 TYR OH : rot 15:sc= -0.0176 USER MOD Single : A 48 GLN : amide:sc= 1.18 K(o=1.2,f=-4.5!) USER MOD Single : A 50 HIS : no HD1:sc= -0.474 X(o=-0.47,f=-0.34) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl -155:sc= 0 (180deg=-0.15) USER MOD Single : A 58 LYS NZ :NH3+ 140:sc= 1.02 (180deg=-0.803!) USER MOD Single : A 59 LYS NZ :NH3+ -107:sc= 0.962 (180deg=-0.471) USER MOD Single : A 60 GLN : amide:sc= 1.02 K(o=1,f=-0.73) USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.680 1.984 12.618 1.00 0.00 N ATOM 2 CA GLY A 1 5.006 1.195 13.656 1.00 0.00 C ATOM 3 C GLY A 1 3.735 0.667 13.023 1.00 0.00 C ATOM 4 O GLY A 1 3.766 0.441 11.813 1.00 0.00 O ATOM 0 H1 GLY A 1 6.701 2.016 12.815 1.00 0.00 H new ATOM 0 H2 GLY A 1 5.520 1.544 11.689 1.00 0.00 H new ATOM 0 H3 GLY A 1 5.297 2.951 12.614 1.00 0.00 H new ATOM 0 HA2 GLY A 1 5.640 0.377 13.997 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.781 1.809 14.528 1.00 0.00 H new ATOM 10 N GLU A 2 2.648 0.574 13.784 1.00 0.00 N ATOM 11 CA GLU A 2 1.327 0.325 13.246 1.00 0.00 C ATOM 12 C GLU A 2 1.265 -0.960 12.413 1.00 0.00 C ATOM 13 O GLU A 2 1.953 -1.928 12.734 1.00 0.00 O ATOM 14 CB GLU A 2 0.850 1.581 12.527 1.00 0.00 C ATOM 15 CG GLU A 2 1.148 2.864 13.320 1.00 0.00 C ATOM 16 CD GLU A 2 0.792 2.740 14.793 1.00 0.00 C ATOM 17 OE1 GLU A 2 -0.390 2.992 15.114 1.00 0.00 O ATOM 18 OE2 GLU A 2 1.719 2.376 15.552 1.00 0.00 O ATOM 0 H GLU A 2 2.666 0.671 14.799 1.00 0.00 H new ATOM 0 HA GLU A 2 0.624 0.127 14.055 1.00 0.00 H new ATOM 0 HB2 GLU A 2 1.331 1.641 11.551 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -0.223 1.509 12.350 1.00 0.00 H new ATOM 0 HG2 GLU A 2 2.206 3.107 13.226 1.00 0.00 H new ATOM 0 HG3 GLU A 2 0.591 3.693 12.884 1.00 0.00 H new ATOM 25 N VAL A 3 0.421 -1.006 11.376 1.00 0.00 N ATOM 26 CA VAL A 3 0.133 -2.234 10.677 1.00 0.00 C ATOM 27 C VAL A 3 0.769 -2.192 9.289 1.00 0.00 C ATOM 28 O VAL A 3 0.538 -1.250 8.528 1.00 0.00 O ATOM 29 CB VAL A 3 -1.364 -2.546 10.735 1.00 0.00 C ATOM 30 CG1 VAL A 3 -1.853 -2.685 12.182 1.00 0.00 C ATOM 31 CG2 VAL A 3 -2.242 -1.578 9.967 1.00 0.00 C ATOM 0 H VAL A 3 -0.072 -0.191 11.010 1.00 0.00 H new ATOM 0 HA VAL A 3 0.593 -3.092 11.168 1.00 0.00 H new ATOM 0 HB VAL A 3 -1.466 -3.505 10.226 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -2.920 -2.906 12.186 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -1.313 -3.495 12.672 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -1.674 -1.753 12.718 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -3.286 -1.877 10.064 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -2.114 -0.573 10.369 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -1.959 -1.587 8.914 1.00 0.00 H new ATOM 41 N VAL A 4 1.599 -3.195 8.977 1.00 0.00 N ATOM 42 CA VAL A 4 2.103 -3.426 7.633 1.00 0.00 C ATOM 43 C VAL A 4 0.999 -4.185 6.899 1.00 0.00 C ATOM 44 O VAL A 4 0.531 -5.213 7.389 1.00 0.00 O ATOM 45 CB VAL A 4 3.459 -4.176 7.676 1.00 0.00 C ATOM 46 CG1 VAL A 4 3.467 -5.509 6.920 1.00 0.00 C ATOM 47 CG2 VAL A 4 4.589 -3.339 7.077 1.00 0.00 C ATOM 0 H VAL A 4 1.938 -3.871 9.662 1.00 0.00 H new ATOM 0 HA VAL A 4 2.322 -2.500 7.101 1.00 0.00 H new ATOM 0 HB VAL A 4 3.611 -4.364 8.739 1.00 0.00 H new ATOM 0 HG11 VAL A 4 4.453 -5.967 7.001 1.00 0.00 H new ATOM 0 HG12 VAL A 4 2.720 -6.176 7.351 1.00 0.00 H new ATOM 0 HG13 VAL A 4 3.234 -5.333 5.870 1.00 0.00 H new ATOM 0 HG21 VAL A 4 5.522 -3.900 7.126 1.00 0.00 H new ATOM 0 HG22 VAL A 4 4.359 -3.108 6.037 1.00 0.00 H new ATOM 0 HG23 VAL A 4 4.693 -2.412 7.640 1.00 0.00 H new ATOM 57 N LEU A 5 0.574 -3.668 5.745 1.00 0.00 N ATOM 58 CA LEU A 5 -0.335 -4.334 4.832 1.00 0.00 C ATOM 59 C LEU A 5 0.512 -4.738 3.636 1.00 0.00 C ATOM 60 O LEU A 5 1.066 -3.863 2.965 1.00 0.00 O ATOM 61 CB LEU A 5 -1.476 -3.399 4.412 1.00 0.00 C ATOM 62 CG LEU A 5 -2.638 -3.340 5.413 1.00 0.00 C ATOM 63 CD1 LEU A 5 -3.545 -4.572 5.352 1.00 0.00 C ATOM 64 CD2 LEU A 5 -2.182 -3.141 6.859 1.00 0.00 C ATOM 0 H LEU A 5 0.866 -2.747 5.417 1.00 0.00 H new ATOM 0 HA LEU A 5 -0.809 -5.199 5.296 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -1.076 -2.394 4.276 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -1.860 -3.723 3.445 1.00 0.00 H new ATOM 0 HG LEU A 5 -3.207 -2.464 5.101 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -4.347 -4.470 6.083 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -3.973 -4.659 4.354 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -2.961 -5.465 5.576 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -3.053 -3.108 7.514 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -1.537 -3.968 7.154 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -1.631 -2.204 6.941 1.00 0.00 H new ATOM 76 N LYS A 6 0.643 -6.045 3.385 1.00 0.00 N ATOM 77 CA LYS A 6 1.372 -6.528 2.229 1.00 0.00 C ATOM 78 C LYS A 6 0.319 -6.842 1.171 1.00 0.00 C ATOM 79 O LYS A 6 -0.472 -7.779 1.330 1.00 0.00 O ATOM 80 CB LYS A 6 2.231 -7.747 2.596 1.00 0.00 C ATOM 81 CG LYS A 6 3.675 -7.652 2.100 1.00 0.00 C ATOM 82 CD LYS A 6 4.536 -6.803 3.044 1.00 0.00 C ATOM 83 CE LYS A 6 5.955 -6.607 2.488 1.00 0.00 C ATOM 84 NZ LYS A 6 6.674 -7.876 2.265 1.00 0.00 N ATOM 0 H LYS A 6 0.250 -6.780 3.973 1.00 0.00 H new ATOM 0 HA LYS A 6 2.076 -5.788 1.848 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.235 -7.865 3.680 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.771 -8.643 2.180 1.00 0.00 H new ATOM 0 HG2 LYS A 6 4.100 -8.652 2.018 1.00 0.00 H new ATOM 0 HG3 LYS A 6 3.690 -7.217 1.101 1.00 0.00 H new ATOM 0 HD2 LYS A 6 4.065 -5.831 3.193 1.00 0.00 H new ATOM 0 HD3 LYS A 6 4.590 -7.284 4.021 1.00 0.00 H new ATOM 0 HE2 LYS A 6 5.897 -6.060 1.547 1.00 0.00 H new ATOM 0 HE3 LYS A 6 6.527 -5.990 3.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 7.682 -7.748 2.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 6.274 -8.614 2.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 6.574 -8.161 1.270 1.00 0.00 H new ATOM 98 N MET A 7 0.290 -6.031 0.117 1.00 0.00 N ATOM 99 CA MET A 7 -0.556 -6.234 -1.033 1.00 0.00 C ATOM 100 C MET A 7 0.309 -6.651 -2.207 1.00 0.00 C ATOM 101 O MET A 7 1.243 -5.942 -2.568 1.00 0.00 O ATOM 102 CB MET A 7 -1.399 -4.988 -1.331 1.00 0.00 C ATOM 103 CG MET A 7 -0.763 -3.650 -0.973 1.00 0.00 C ATOM 104 SD MET A 7 -1.723 -2.190 -1.457 1.00 0.00 S ATOM 105 CE MET A 7 -2.750 -1.952 0.010 1.00 0.00 C ATOM 0 H MET A 7 0.872 -5.197 0.047 1.00 0.00 H new ATOM 0 HA MET A 7 -1.271 -7.032 -0.832 1.00 0.00 H new ATOM 0 HB2 MET A 7 -1.638 -4.981 -2.394 1.00 0.00 H new ATOM 0 HB3 MET A 7 -2.343 -5.075 -0.793 1.00 0.00 H new ATOM 0 HG2 MET A 7 -0.601 -3.619 0.104 1.00 0.00 H new ATOM 0 HG3 MET A 7 0.218 -3.594 -1.445 1.00 0.00 H new ATOM 0 HE1 MET A 7 -3.801 -2.041 -0.264 1.00 0.00 H new ATOM 0 HE2 MET A 7 -2.503 -2.710 0.754 1.00 0.00 H new ATOM 0 HE3 MET A 7 -2.566 -0.962 0.426 1.00 0.00 H new ATOM 115 N LYS A 8 0.011 -7.805 -2.804 1.00 0.00 N ATOM 116 CA LYS A 8 0.611 -8.117 -4.090 1.00 0.00 C ATOM 117 C LYS A 8 0.003 -7.170 -5.112 1.00 0.00 C ATOM 118 O LYS A 8 -1.136 -6.747 -4.926 1.00 0.00 O ATOM 119 CB LYS A 8 0.360 -9.565 -4.502 1.00 0.00 C ATOM 120 CG LYS A 8 1.118 -10.557 -3.625 1.00 0.00 C ATOM 121 CD LYS A 8 0.469 -10.803 -2.257 1.00 0.00 C ATOM 122 CE LYS A 8 1.060 -12.054 -1.592 1.00 0.00 C ATOM 123 NZ LYS A 8 2.391 -11.804 -1.003 1.00 0.00 N ATOM 0 H LYS A 8 -0.620 -8.514 -2.430 1.00 0.00 H new ATOM 0 HA LYS A 8 1.692 -7.994 -4.027 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -0.708 -9.776 -4.446 1.00 0.00 H new ATOM 0 HB3 LYS A 8 0.658 -9.701 -5.542 1.00 0.00 H new ATOM 0 HG2 LYS A 8 1.198 -11.507 -4.154 1.00 0.00 H new ATOM 0 HG3 LYS A 8 2.133 -10.190 -3.473 1.00 0.00 H new ATOM 0 HD2 LYS A 8 0.624 -9.936 -1.615 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -0.608 -10.923 -2.376 1.00 0.00 H new ATOM 0 HE2 LYS A 8 0.381 -12.403 -0.814 1.00 0.00 H new ATOM 0 HE3 LYS A 8 1.137 -12.852 -2.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 3.051 -12.547 -1.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 2.742 -10.877 -1.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 2.319 -11.812 0.034 1.00 0.00 H new ATOM 137 N VAL A 9 0.750 -6.846 -6.161 1.00 0.00 N ATOM 138 CA VAL A 9 0.272 -6.044 -7.267 1.00 0.00 C ATOM 139 C VAL A 9 0.694 -6.753 -8.545 1.00 0.00 C ATOM 140 O VAL A 9 1.657 -7.517 -8.526 1.00 0.00 O ATOM 141 CB VAL A 9 0.869 -4.632 -7.171 1.00 0.00 C ATOM 142 CG1 VAL A 9 0.181 -3.829 -6.063 1.00 0.00 C ATOM 143 CG2 VAL A 9 2.385 -4.635 -6.935 1.00 0.00 C ATOM 0 H VAL A 9 1.721 -7.141 -6.263 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.812 -5.934 -7.252 1.00 0.00 H new ATOM 0 HB VAL A 9 0.691 -4.161 -8.138 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.618 -2.832 -6.011 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.884 -3.747 -6.280 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.318 -4.335 -5.108 1.00 0.00 H new ATOM 0 HG21 VAL A 9 2.746 -3.608 -6.877 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.607 -5.151 -6.001 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.881 -5.148 -7.760 1.00 0.00 H new ATOM 153 N GLU A 10 0.000 -6.489 -9.651 1.00 0.00 N ATOM 154 CA GLU A 10 0.361 -7.015 -10.958 1.00 0.00 C ATOM 155 C GLU A 10 0.584 -5.847 -11.919 1.00 0.00 C ATOM 156 O GLU A 10 -0.075 -4.813 -11.814 1.00 0.00 O ATOM 157 CB GLU A 10 -0.728 -7.961 -11.477 1.00 0.00 C ATOM 158 CG GLU A 10 -1.107 -9.069 -10.491 1.00 0.00 C ATOM 159 CD GLU A 10 -2.399 -8.793 -9.725 1.00 0.00 C ATOM 160 OE1 GLU A 10 -3.470 -9.029 -10.323 1.00 0.00 O ATOM 161 OE2 GLU A 10 -2.296 -8.370 -8.553 1.00 0.00 O ATOM 0 H GLU A 10 -0.833 -5.900 -9.661 1.00 0.00 H new ATOM 0 HA GLU A 10 1.283 -7.592 -10.880 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.618 -7.379 -11.714 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.387 -8.416 -12.407 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.211 -10.008 -11.035 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -0.294 -9.203 -9.778 1.00 0.00 H new ATOM 168 N GLY A 11 1.526 -6.011 -12.848 1.00 0.00 N ATOM 169 CA GLY A 11 1.783 -5.074 -13.933 1.00 0.00 C ATOM 170 C GLY A 11 2.911 -4.090 -13.617 1.00 0.00 C ATOM 171 O GLY A 11 3.602 -3.637 -14.528 1.00 0.00 O ATOM 0 H GLY A 11 2.145 -6.821 -12.864 1.00 0.00 H new ATOM 0 HA2 GLY A 11 2.036 -5.631 -14.835 1.00 0.00 H new ATOM 0 HA3 GLY A 11 0.871 -4.517 -14.148 1.00 0.00 H new ATOM 175 N MET A 12 3.098 -3.736 -12.343 1.00 0.00 N ATOM 176 CA MET A 12 4.124 -2.780 -11.946 1.00 0.00 C ATOM 177 C MET A 12 5.516 -3.371 -12.165 1.00 0.00 C ATOM 178 O MET A 12 6.042 -4.072 -11.303 1.00 0.00 O ATOM 179 CB MET A 12 3.962 -2.379 -10.479 1.00 0.00 C ATOM 180 CG MET A 12 2.599 -1.770 -10.156 1.00 0.00 C ATOM 181 SD MET A 12 2.504 -1.166 -8.454 1.00 0.00 S ATOM 182 CE MET A 12 0.721 -0.985 -8.317 1.00 0.00 C ATOM 0 H MET A 12 2.546 -4.102 -11.567 1.00 0.00 H new ATOM 0 HA MET A 12 4.009 -1.890 -12.565 1.00 0.00 H new ATOM 0 HB2 MET A 12 4.115 -3.258 -9.852 1.00 0.00 H new ATOM 0 HB3 MET A 12 4.741 -1.662 -10.219 1.00 0.00 H new ATOM 0 HG2 MET A 12 2.399 -0.948 -10.843 1.00 0.00 H new ATOM 0 HG3 MET A 12 1.822 -2.517 -10.318 1.00 0.00 H new ATOM 0 HE1 MET A 12 0.451 -0.826 -7.273 1.00 0.00 H new ATOM 0 HE2 MET A 12 0.395 -0.131 -8.911 1.00 0.00 H new ATOM 0 HE3 MET A 12 0.234 -1.889 -8.684 1.00 0.00 H new ATOM 192 N THR A 13 6.125 -3.099 -13.315 1.00 0.00 N ATOM 193 CA THR A 13 7.457 -3.563 -13.657 1.00 0.00 C ATOM 194 C THR A 13 8.298 -2.369 -14.119 1.00 0.00 C ATOM 195 O THR A 13 9.034 -2.444 -15.100 1.00 0.00 O ATOM 196 CB THR A 13 7.306 -4.711 -14.663 1.00 0.00 C ATOM 197 OG1 THR A 13 6.386 -5.654 -14.141 1.00 0.00 O ATOM 198 CG2 THR A 13 8.613 -5.459 -14.905 1.00 0.00 C ATOM 0 H THR A 13 5.693 -2.537 -14.048 1.00 0.00 H new ATOM 0 HA THR A 13 8.005 -3.975 -12.810 1.00 0.00 H new ATOM 0 HB THR A 13 6.974 -4.269 -15.602 1.00 0.00 H new ATOM 0 HG1 THR A 13 6.279 -6.393 -14.776 1.00 0.00 H new ATOM 0 HG21 THR A 13 8.446 -6.260 -15.625 1.00 0.00 H new ATOM 0 HG22 THR A 13 9.360 -4.769 -15.297 1.00 0.00 H new ATOM 0 HG23 THR A 13 8.968 -5.884 -13.966 1.00 0.00 H new ATOM 206 N CYS A 14 8.199 -1.261 -13.377 1.00 0.00 N ATOM 207 CA CYS A 14 8.942 -0.037 -13.607 1.00 0.00 C ATOM 208 C CYS A 14 8.798 0.838 -12.366 1.00 0.00 C ATOM 209 O CYS A 14 7.855 0.680 -11.585 1.00 0.00 O ATOM 210 CB CYS A 14 8.457 0.651 -14.892 1.00 0.00 C ATOM 211 SG CYS A 14 6.665 0.650 -15.185 1.00 0.00 S ATOM 0 H CYS A 14 7.574 -1.199 -12.573 1.00 0.00 H new ATOM 0 HA CYS A 14 10.001 -0.241 -13.763 1.00 0.00 H new ATOM 0 HB2 CYS A 14 8.799 1.686 -14.875 1.00 0.00 H new ATOM 0 HB3 CYS A 14 8.942 0.169 -15.741 1.00 0.00 H new ATOM 216 N HIS A 15 9.764 1.734 -12.152 1.00 0.00 N ATOM 217 CA HIS A 15 9.805 2.535 -10.939 1.00 0.00 C ATOM 218 C HIS A 15 8.716 3.613 -10.947 1.00 0.00 C ATOM 219 O HIS A 15 8.323 4.110 -9.895 1.00 0.00 O ATOM 220 CB HIS A 15 11.209 3.110 -10.714 1.00 0.00 C ATOM 221 CG HIS A 15 11.553 3.199 -9.248 1.00 0.00 C ATOM 222 ND1 HIS A 15 11.749 2.126 -8.407 1.00 0.00 N ATOM 223 CD2 HIS A 15 11.669 4.339 -8.498 1.00 0.00 C ATOM 224 CE1 HIS A 15 11.985 2.613 -7.177 1.00 0.00 C ATOM 225 NE2 HIS A 15 11.959 3.956 -7.186 1.00 0.00 N ATOM 0 H HIS A 15 10.525 1.919 -12.806 1.00 0.00 H new ATOM 0 HA HIS A 15 9.588 1.888 -10.089 1.00 0.00 H new ATOM 0 HB2 HIS A 15 11.943 2.484 -11.222 1.00 0.00 H new ATOM 0 HB3 HIS A 15 11.271 4.102 -11.162 1.00 0.00 H new ATOM 0 HD2 HIS A 15 11.557 5.352 -8.856 1.00 0.00 H new ATOM 0 HE1 HIS A 15 12.170 2.008 -6.302 1.00 0.00 H new ATOM 0 HE2 HIS A 15 12.119 4.575 -6.391 1.00 0.00 H new ATOM 233 N SER A 16 8.222 3.979 -12.133 1.00 0.00 N ATOM 234 CA SER A 16 7.203 4.996 -12.312 1.00 0.00 C ATOM 235 C SER A 16 5.969 4.718 -11.452 1.00 0.00 C ATOM 236 O SER A 16 5.630 5.527 -10.596 1.00 0.00 O ATOM 237 CB SER A 16 6.862 5.083 -13.804 1.00 0.00 C ATOM 238 OG SER A 16 8.066 5.006 -14.550 1.00 0.00 O ATOM 0 H SER A 16 8.532 3.562 -13.011 1.00 0.00 H new ATOM 0 HA SER A 16 7.585 5.960 -11.976 1.00 0.00 H new ATOM 0 HB2 SER A 16 6.190 4.272 -14.086 1.00 0.00 H new ATOM 0 HB3 SER A 16 6.343 6.017 -14.019 1.00 0.00 H new ATOM 0 HG SER A 16 7.862 5.059 -15.507 1.00 0.00 H new ATOM 244 N CYS A 17 5.305 3.579 -11.673 1.00 0.00 N ATOM 245 CA CYS A 17 4.036 3.250 -11.031 1.00 0.00 C ATOM 246 C CYS A 17 4.210 3.225 -9.515 1.00 0.00 C ATOM 247 O CYS A 17 3.474 3.873 -8.769 1.00 0.00 O ATOM 248 CB CYS A 17 3.545 1.894 -11.555 1.00 0.00 C ATOM 249 SG CYS A 17 3.545 1.752 -13.361 1.00 0.00 S ATOM 0 H CYS A 17 5.640 2.855 -12.309 1.00 0.00 H new ATOM 0 HA CYS A 17 3.290 4.008 -11.269 1.00 0.00 H new ATOM 0 HB2 CYS A 17 4.175 1.107 -11.140 1.00 0.00 H new ATOM 0 HB3 CYS A 17 2.534 1.720 -11.188 1.00 0.00 H new ATOM 254 N THR A 18 5.219 2.470 -9.083 1.00 0.00 N ATOM 255 CA THR A 18 5.576 2.309 -7.690 1.00 0.00 C ATOM 256 C THR A 18 5.783 3.683 -7.040 1.00 0.00 C ATOM 257 O THR A 18 5.088 4.017 -6.084 1.00 0.00 O ATOM 258 CB THR A 18 6.786 1.365 -7.583 1.00 0.00 C ATOM 259 OG1 THR A 18 7.889 1.862 -8.303 1.00 0.00 O ATOM 260 CG2 THR A 18 6.470 -0.019 -8.164 1.00 0.00 C ATOM 0 H THR A 18 5.821 1.943 -9.715 1.00 0.00 H new ATOM 0 HA THR A 18 4.769 1.839 -7.129 1.00 0.00 H new ATOM 0 HB THR A 18 7.018 1.294 -6.520 1.00 0.00 H new ATOM 0 HG1 THR A 18 8.643 1.242 -8.215 1.00 0.00 H new ATOM 0 HG21 THR A 18 7.346 -0.661 -8.072 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.637 -0.462 -7.617 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.202 0.081 -9.216 1.00 0.00 H new ATOM 268 N SER A 19 6.680 4.505 -7.594 1.00 0.00 N ATOM 269 CA SER A 19 6.935 5.867 -7.129 1.00 0.00 C ATOM 270 C SER A 19 5.655 6.716 -7.119 1.00 0.00 C ATOM 271 O SER A 19 5.384 7.397 -6.137 1.00 0.00 O ATOM 272 CB SER A 19 8.028 6.494 -8.006 1.00 0.00 C ATOM 273 OG SER A 19 8.377 7.785 -7.543 1.00 0.00 O ATOM 0 H SER A 19 7.257 4.236 -8.391 1.00 0.00 H new ATOM 0 HA SER A 19 7.281 5.833 -6.096 1.00 0.00 H new ATOM 0 HB2 SER A 19 8.910 5.854 -8.006 1.00 0.00 H new ATOM 0 HB3 SER A 19 7.680 6.556 -9.037 1.00 0.00 H new ATOM 0 HG SER A 19 9.076 8.161 -8.118 1.00 0.00 H new ATOM 279 N THR A 20 4.847 6.687 -8.184 1.00 0.00 N ATOM 280 CA THR A 20 3.583 7.415 -8.244 1.00 0.00 C ATOM 281 C THR A 20 2.688 7.048 -7.056 1.00 0.00 C ATOM 282 O THR A 20 2.181 7.929 -6.357 1.00 0.00 O ATOM 283 CB THR A 20 2.892 7.153 -9.595 1.00 0.00 C ATOM 284 OG1 THR A 20 3.662 7.717 -10.636 1.00 0.00 O ATOM 285 CG2 THR A 20 1.482 7.748 -9.670 1.00 0.00 C ATOM 0 H THR A 20 5.055 6.155 -9.029 1.00 0.00 H new ATOM 0 HA THR A 20 3.780 8.485 -8.172 1.00 0.00 H new ATOM 0 HB THR A 20 2.809 6.071 -9.698 1.00 0.00 H new ATOM 0 HG1 THR A 20 4.431 7.139 -10.824 1.00 0.00 H new ATOM 0 HG21 THR A 20 1.047 7.531 -10.645 1.00 0.00 H new ATOM 0 HG22 THR A 20 0.860 7.310 -8.889 1.00 0.00 H new ATOM 0 HG23 THR A 20 1.535 8.828 -9.529 1.00 0.00 H new ATOM 293 N ILE A 21 2.490 5.751 -6.816 1.00 0.00 N ATOM 294 CA ILE A 21 1.736 5.271 -5.676 1.00 0.00 C ATOM 295 C ILE A 21 2.387 5.759 -4.385 1.00 0.00 C ATOM 296 O ILE A 21 1.690 6.259 -3.508 1.00 0.00 O ATOM 297 CB ILE A 21 1.635 3.744 -5.796 1.00 0.00 C ATOM 298 CG1 ILE A 21 0.369 3.393 -6.574 1.00 0.00 C ATOM 299 CG2 ILE A 21 1.597 3.057 -4.444 1.00 0.00 C ATOM 300 CD1 ILE A 21 0.511 2.044 -7.267 1.00 0.00 C ATOM 0 H ILE A 21 2.853 5.008 -7.414 1.00 0.00 H new ATOM 0 HA ILE A 21 0.721 5.667 -5.654 1.00 0.00 H new ATOM 0 HB ILE A 21 2.526 3.391 -6.316 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -0.484 3.370 -5.896 1.00 0.00 H new ATOM 0 HG13 ILE A 21 0.167 4.167 -7.314 1.00 0.00 H new ATOM 0 HG21 ILE A 21 1.525 1.979 -4.586 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.507 3.291 -3.891 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.731 3.407 -3.882 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.404 1.818 -7.814 1.00 0.00 H new ATOM 0 HD12 ILE A 21 1.350 2.079 -7.962 1.00 0.00 H new ATOM 0 HD13 ILE A 21 0.689 1.269 -6.522 1.00 0.00 H new ATOM 312 N GLU A 22 3.706 5.632 -4.271 1.00 0.00 N ATOM 313 CA GLU A 22 4.457 6.090 -3.118 1.00 0.00 C ATOM 314 C GLU A 22 4.177 7.568 -2.826 1.00 0.00 C ATOM 315 O GLU A 22 3.856 7.926 -1.693 1.00 0.00 O ATOM 316 CB GLU A 22 5.931 5.673 -3.275 1.00 0.00 C ATOM 317 CG GLU A 22 6.124 4.353 -2.506 1.00 0.00 C ATOM 318 CD GLU A 22 7.512 3.728 -2.608 1.00 0.00 C ATOM 319 OE1 GLU A 22 8.411 4.407 -3.149 1.00 0.00 O ATOM 320 OE2 GLU A 22 7.643 2.580 -2.120 1.00 0.00 O ATOM 0 H GLU A 22 4.287 5.201 -4.990 1.00 0.00 H new ATOM 0 HA GLU A 22 4.124 5.600 -2.203 1.00 0.00 H new ATOM 0 HB2 GLU A 22 6.183 5.544 -4.328 1.00 0.00 H new ATOM 0 HB3 GLU A 22 6.592 6.446 -2.882 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.901 4.530 -1.454 1.00 0.00 H new ATOM 0 HG3 GLU A 22 5.392 3.631 -2.869 1.00 0.00 H new ATOM 327 N GLY A 23 4.189 8.415 -3.854 1.00 0.00 N ATOM 328 CA GLY A 23 3.753 9.797 -3.767 1.00 0.00 C ATOM 329 C GLY A 23 2.317 9.905 -3.250 1.00 0.00 C ATOM 330 O GLY A 23 2.057 10.598 -2.265 1.00 0.00 O ATOM 0 H GLY A 23 4.509 8.150 -4.785 1.00 0.00 H new ATOM 0 HA2 GLY A 23 4.421 10.348 -3.105 1.00 0.00 H new ATOM 0 HA3 GLY A 23 3.822 10.263 -4.750 1.00 0.00 H new ATOM 334 N LYS A 24 1.368 9.250 -3.929 1.00 0.00 N ATOM 335 CA LYS A 24 -0.046 9.387 -3.604 1.00 0.00 C ATOM 336 C LYS A 24 -0.327 8.946 -2.167 1.00 0.00 C ATOM 337 O LYS A 24 -0.849 9.713 -1.361 1.00 0.00 O ATOM 338 CB LYS A 24 -0.908 8.617 -4.620 1.00 0.00 C ATOM 339 CG LYS A 24 -2.343 9.165 -4.685 1.00 0.00 C ATOM 340 CD LYS A 24 -2.426 10.415 -5.577 1.00 0.00 C ATOM 341 CE LYS A 24 -3.848 10.996 -5.568 1.00 0.00 C ATOM 342 NZ LYS A 24 -3.998 12.119 -6.517 1.00 0.00 N ATOM 0 H LYS A 24 1.560 8.620 -4.708 1.00 0.00 H new ATOM 0 HA LYS A 24 -0.316 10.441 -3.671 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -0.450 8.681 -5.607 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -0.934 7.562 -4.348 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.011 8.395 -5.072 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.687 9.410 -3.680 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -1.719 11.166 -5.225 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.139 10.160 -6.597 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -4.561 10.211 -5.821 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -4.093 11.337 -4.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -4.973 12.479 -6.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -3.337 12.880 -6.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -3.790 11.789 -7.481 1.00 0.00 H new ATOM 356 N ILE A 25 0.024 7.704 -1.855 1.00 0.00 N ATOM 357 CA ILE A 25 -0.157 7.113 -0.540 1.00 0.00 C ATOM 358 C ILE A 25 0.600 7.916 0.515 1.00 0.00 C ATOM 359 O ILE A 25 0.041 8.211 1.568 1.00 0.00 O ATOM 360 CB ILE A 25 0.199 5.619 -0.553 1.00 0.00 C ATOM 361 CG1 ILE A 25 -0.717 4.792 -1.463 1.00 0.00 C ATOM 362 CG2 ILE A 25 0.236 5.050 0.871 1.00 0.00 C ATOM 363 CD1 ILE A 25 -2.160 4.854 -0.989 1.00 0.00 C ATOM 0 H ILE A 25 0.452 7.067 -2.527 1.00 0.00 H new ATOM 0 HA ILE A 25 -1.211 7.162 -0.265 1.00 0.00 H new ATOM 0 HB ILE A 25 1.199 5.541 -0.979 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -0.651 5.164 -2.486 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -0.380 3.755 -1.478 1.00 0.00 H new ATOM 0 HG21 ILE A 25 0.490 3.991 0.833 1.00 0.00 H new ATOM 0 HG22 ILE A 25 0.986 5.582 1.456 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -0.742 5.172 1.337 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.787 4.259 -1.653 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.227 4.459 0.025 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -2.502 5.889 -0.998 1.00 0.00 H new ATOM 375 N GLY A 26 1.840 8.322 0.224 1.00 0.00 N ATOM 376 CA GLY A 26 2.605 9.202 1.095 1.00 0.00 C ATOM 377 C GLY A 26 1.811 10.443 1.514 1.00 0.00 C ATOM 378 O GLY A 26 1.984 10.940 2.623 1.00 0.00 O ATOM 0 H GLY A 26 2.336 8.046 -0.623 1.00 0.00 H new ATOM 0 HA2 GLY A 26 2.911 8.652 1.985 1.00 0.00 H new ATOM 0 HA3 GLY A 26 3.516 9.512 0.584 1.00 0.00 H new ATOM 382 N LYS A 27 0.946 10.953 0.632 1.00 0.00 N ATOM 383 CA LYS A 27 0.162 12.148 0.857 1.00 0.00 C ATOM 384 C LYS A 27 -1.166 11.861 1.583 1.00 0.00 C ATOM 385 O LYS A 27 -1.882 12.806 1.910 1.00 0.00 O ATOM 386 CB LYS A 27 0.002 12.821 -0.515 1.00 0.00 C ATOM 387 CG LYS A 27 -0.839 14.094 -0.480 1.00 0.00 C ATOM 388 CD LYS A 27 -0.531 14.994 -1.683 1.00 0.00 C ATOM 389 CE LYS A 27 0.722 15.843 -1.407 1.00 0.00 C ATOM 390 NZ LYS A 27 1.233 16.510 -2.621 1.00 0.00 N ATOM 0 H LYS A 27 0.775 10.527 -0.279 1.00 0.00 H new ATOM 0 HA LYS A 27 0.666 12.830 1.542 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.989 13.059 -0.910 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -0.455 12.113 -1.206 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.898 13.834 -0.478 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.643 14.638 0.444 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -0.376 14.383 -2.573 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.382 15.644 -1.887 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.488 16.596 -0.654 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.503 15.207 -0.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 2.077 17.069 -2.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.483 15.793 -3.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.500 17.139 -3.006 1.00 0.00 H new ATOM 404 N LEU A 28 -1.523 10.602 1.860 1.00 0.00 N ATOM 405 CA LEU A 28 -2.742 10.296 2.585 1.00 0.00 C ATOM 406 C LEU A 28 -2.531 10.417 4.088 1.00 0.00 C ATOM 407 O LEU A 28 -1.539 9.938 4.635 1.00 0.00 O ATOM 408 CB LEU A 28 -3.205 8.893 2.267 1.00 0.00 C ATOM 409 CG LEU A 28 -3.590 8.706 0.793 1.00 0.00 C ATOM 410 CD1 LEU A 28 -4.454 7.455 0.753 1.00 0.00 C ATOM 411 CD2 LEU A 28 -4.395 9.853 0.166 1.00 0.00 C ATOM 0 H LEU A 28 -0.978 9.784 1.589 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.500 11.015 2.273 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.413 8.189 2.522 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.062 8.649 2.894 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.666 8.655 0.216 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.766 7.261 -0.273 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.882 6.605 1.125 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.335 7.601 1.378 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.613 9.618 -0.876 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.329 9.983 0.712 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.815 10.774 0.216 1.00 0.00 H new ATOM 423 N GLN A 29 -3.505 11.015 4.771 1.00 0.00 N ATOM 424 CA GLN A 29 -3.489 11.093 6.216 1.00 0.00 C ATOM 425 C GLN A 29 -3.769 9.715 6.826 1.00 0.00 C ATOM 426 O GLN A 29 -4.795 9.109 6.535 1.00 0.00 O ATOM 427 CB GLN A 29 -4.459 12.182 6.698 1.00 0.00 C ATOM 428 CG GLN A 29 -5.927 11.828 6.428 1.00 0.00 C ATOM 429 CD GLN A 29 -6.848 13.039 6.531 1.00 0.00 C ATOM 430 OE1 GLN A 29 -6.575 13.982 7.265 1.00 0.00 O ATOM 431 NE2 GLN A 29 -7.947 13.035 5.780 1.00 0.00 N ATOM 0 H GLN A 29 -4.317 11.453 4.336 1.00 0.00 H new ATOM 0 HA GLN A 29 -2.497 11.386 6.561 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -4.318 12.341 7.767 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -4.219 13.122 6.202 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -6.015 11.392 5.433 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -6.251 11.068 7.139 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -8.150 12.237 5.178 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -8.586 13.830 5.807 1.00 0.00 H new ATOM 440 N GLY A 30 -2.853 9.225 7.665 1.00 0.00 N ATOM 441 CA GLY A 30 -3.027 8.003 8.444 1.00 0.00 C ATOM 442 C GLY A 30 -1.929 6.984 8.185 1.00 0.00 C ATOM 443 O GLY A 30 -1.915 5.913 8.795 1.00 0.00 O ATOM 0 H GLY A 30 -1.953 9.678 7.823 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -3.044 8.252 9.505 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -3.993 7.559 8.206 1.00 0.00 H new ATOM 447 N VAL A 31 -1.013 7.313 7.273 1.00 0.00 N ATOM 448 CA VAL A 31 0.057 6.433 6.866 1.00 0.00 C ATOM 449 C VAL A 31 1.305 6.665 7.719 1.00 0.00 C ATOM 450 O VAL A 31 1.456 7.717 8.338 1.00 0.00 O ATOM 451 CB VAL A 31 0.293 6.662 5.362 1.00 0.00 C ATOM 452 CG1 VAL A 31 1.127 7.918 5.074 1.00 0.00 C ATOM 453 CG2 VAL A 31 0.948 5.445 4.699 1.00 0.00 C ATOM 0 H VAL A 31 -1.003 8.214 6.796 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.205 5.387 7.024 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.696 6.813 4.930 1.00 0.00 H new ATOM 0 HG11 VAL A 31 1.260 8.027 3.998 1.00 0.00 H new ATOM 0 HG12 VAL A 31 0.612 8.795 5.467 1.00 0.00 H new ATOM 0 HG13 VAL A 31 2.102 7.825 5.553 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.098 5.645 3.638 1.00 0.00 H new ATOM 0 HG22 VAL A 31 1.911 5.248 5.171 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.302 4.575 4.816 1.00 0.00 H new ATOM 463 N GLN A 32 2.190 5.668 7.753 1.00 0.00 N ATOM 464 CA GLN A 32 3.452 5.698 8.478 1.00 0.00 C ATOM 465 C GLN A 32 4.633 5.573 7.518 1.00 0.00 C ATOM 466 O GLN A 32 5.620 6.294 7.644 1.00 0.00 O ATOM 467 CB GLN A 32 3.475 4.544 9.482 1.00 0.00 C ATOM 468 CG GLN A 32 2.570 4.819 10.690 1.00 0.00 C ATOM 469 CD GLN A 32 3.359 4.998 11.987 1.00 0.00 C ATOM 470 OE1 GLN A 32 4.348 4.302 12.229 1.00 0.00 O ATOM 471 NE2 GLN A 32 2.923 5.905 12.854 1.00 0.00 N ATOM 0 H GLN A 32 2.039 4.789 7.258 1.00 0.00 H new ATOM 0 HA GLN A 32 3.539 6.650 9.001 1.00 0.00 H new ATOM 0 HB2 GLN A 32 3.153 3.627 8.989 1.00 0.00 H new ATOM 0 HB3 GLN A 32 4.497 4.380 9.824 1.00 0.00 H new ATOM 0 HG2 GLN A 32 1.981 5.716 10.501 1.00 0.00 H new ATOM 0 HG3 GLN A 32 1.867 3.995 10.808 1.00 0.00 H new ATOM 0 HE21 GLN A 32 2.103 6.469 12.632 1.00 0.00 H new ATOM 0 HE22 GLN A 32 3.408 6.037 13.741 1.00 0.00 H new ATOM 480 N ARG A 33 4.569 4.608 6.600 1.00 0.00 N ATOM 481 CA ARG A 33 5.654 4.278 5.692 1.00 0.00 C ATOM 482 C ARG A 33 5.056 3.411 4.601 1.00 0.00 C ATOM 483 O ARG A 33 3.909 2.979 4.696 1.00 0.00 O ATOM 484 CB ARG A 33 6.800 3.582 6.454 1.00 0.00 C ATOM 485 CG ARG A 33 8.165 3.820 5.784 1.00 0.00 C ATOM 486 CD ARG A 33 9.324 3.316 6.653 1.00 0.00 C ATOM 487 NE ARG A 33 9.461 4.107 7.887 1.00 0.00 N ATOM 488 CZ ARG A 33 10.427 3.933 8.806 1.00 0.00 C ATOM 489 NH1 ARG A 33 11.340 2.971 8.634 1.00 0.00 N ATOM 490 NH2 ARG A 33 10.477 4.718 9.888 1.00 0.00 N ATOM 0 H ARG A 33 3.742 4.025 6.469 1.00 0.00 H new ATOM 0 HA ARG A 33 6.099 5.167 5.245 1.00 0.00 H new ATOM 0 HB2 ARG A 33 6.830 3.951 7.479 1.00 0.00 H new ATOM 0 HB3 ARG A 33 6.603 2.511 6.506 1.00 0.00 H new ATOM 0 HG2 ARG A 33 8.189 3.315 4.819 1.00 0.00 H new ATOM 0 HG3 ARG A 33 8.293 4.885 5.590 1.00 0.00 H new ATOM 0 HD2 ARG A 33 9.160 2.269 6.908 1.00 0.00 H new ATOM 0 HD3 ARG A 33 10.253 3.364 6.085 1.00 0.00 H new ATOM 0 HE ARG A 33 8.773 4.841 8.057 1.00 0.00 H new ATOM 0 HH11 ARG A 33 11.302 2.373 7.808 1.00 0.00 H new ATOM 0 HH12 ARG A 33 12.075 2.835 9.328 1.00 0.00 H new ATOM 0 HH21 ARG A 33 9.781 5.452 10.018 1.00 0.00 H new ATOM 0 HH22 ARG A 33 11.211 4.583 10.583 1.00 0.00 H new ATOM 504 N ILE A 34 5.820 3.189 3.545 1.00 0.00 N ATOM 505 CA ILE A 34 5.401 2.464 2.387 1.00 0.00 C ATOM 506 C ILE A 34 6.700 1.967 1.754 1.00 0.00 C ATOM 507 O ILE A 34 7.727 2.639 1.860 1.00 0.00 O ATOM 508 CB ILE A 34 4.541 3.391 1.509 1.00 0.00 C ATOM 509 CG1 ILE A 34 4.152 2.663 0.220 1.00 0.00 C ATOM 510 CG2 ILE A 34 5.245 4.734 1.237 1.00 0.00 C ATOM 511 CD1 ILE A 34 3.022 3.331 -0.558 1.00 0.00 C ATOM 0 H ILE A 34 6.781 3.526 3.481 1.00 0.00 H new ATOM 0 HA ILE A 34 4.760 1.604 2.578 1.00 0.00 H new ATOM 0 HB ILE A 34 3.626 3.638 2.048 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.029 2.593 -0.423 1.00 0.00 H new ATOM 0 HG13 ILE A 34 3.855 1.644 0.467 1.00 0.00 H new ATOM 0 HG21 ILE A 34 4.606 5.360 0.614 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.439 5.241 2.182 1.00 0.00 H new ATOM 0 HG23 ILE A 34 6.188 4.553 0.722 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.808 2.753 -1.457 1.00 0.00 H new ATOM 0 HD12 ILE A 34 2.129 3.377 0.065 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.321 4.341 -0.839 1.00 0.00 H new ATOM 523 N LYS A 35 6.671 0.758 1.201 1.00 0.00 N ATOM 524 CA LYS A 35 7.736 0.151 0.436 1.00 0.00 C ATOM 525 C LYS A 35 7.189 -0.664 -0.747 1.00 0.00 C ATOM 526 O LYS A 35 6.784 -1.815 -0.565 1.00 0.00 O ATOM 527 CB LYS A 35 8.670 -0.682 1.330 1.00 0.00 C ATOM 528 CG LYS A 35 9.843 0.081 1.953 1.00 0.00 C ATOM 529 CD LYS A 35 10.811 0.581 0.870 1.00 0.00 C ATOM 530 CE LYS A 35 12.125 1.120 1.453 1.00 0.00 C ATOM 531 NZ LYS A 35 13.029 0.038 1.896 1.00 0.00 N ATOM 0 H LYS A 35 5.857 0.149 1.284 1.00 0.00 H new ATOM 0 HA LYS A 35 8.337 0.957 0.014 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.078 -1.122 2.133 1.00 0.00 H new ATOM 0 HB3 LYS A 35 9.069 -1.507 0.739 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.467 0.927 2.528 1.00 0.00 H new ATOM 0 HG3 LYS A 35 10.374 -0.567 2.650 1.00 0.00 H new ATOM 0 HD2 LYS A 35 11.031 -0.234 0.181 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.326 1.366 0.290 1.00 0.00 H new ATOM 0 HE2 LYS A 35 12.630 1.728 0.702 1.00 0.00 H new ATOM 0 HE3 LYS A 35 11.904 1.774 2.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 13.902 0.451 2.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 12.559 -0.528 2.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 13.263 -0.572 1.087 1.00 0.00 H new ATOM 545 N VAL A 36 7.177 -0.092 -1.954 1.00 0.00 N ATOM 546 CA VAL A 36 6.681 -0.763 -3.150 1.00 0.00 C ATOM 547 C VAL A 36 7.828 -1.352 -3.982 1.00 0.00 C ATOM 548 O VAL A 36 8.762 -0.637 -4.338 1.00 0.00 O ATOM 549 CB VAL A 36 5.781 0.187 -3.954 1.00 0.00 C ATOM 550 CG1 VAL A 36 5.083 -0.588 -5.076 1.00 0.00 C ATOM 551 CG2 VAL A 36 4.689 0.802 -3.072 1.00 0.00 C ATOM 0 H VAL A 36 7.514 0.855 -2.126 1.00 0.00 H new ATOM 0 HA VAL A 36 6.068 -1.613 -2.850 1.00 0.00 H new ATOM 0 HB VAL A 36 6.417 0.977 -4.354 1.00 0.00 H new ATOM 0 HG11 VAL A 36 4.445 0.089 -5.644 1.00 0.00 H new ATOM 0 HG12 VAL A 36 5.832 -1.023 -5.738 1.00 0.00 H new ATOM 0 HG13 VAL A 36 4.475 -1.383 -4.645 1.00 0.00 H new ATOM 0 HG21 VAL A 36 4.070 1.469 -3.672 1.00 0.00 H new ATOM 0 HG22 VAL A 36 4.069 0.009 -2.654 1.00 0.00 H new ATOM 0 HG23 VAL A 36 5.151 1.366 -2.262 1.00 0.00 H new ATOM 561 N SER A 37 7.745 -2.651 -4.302 1.00 0.00 N ATOM 562 CA SER A 37 8.752 -3.385 -5.062 1.00 0.00 C ATOM 563 C SER A 37 8.169 -3.892 -6.383 1.00 0.00 C ATOM 564 O SER A 37 7.036 -4.368 -6.409 1.00 0.00 O ATOM 565 CB SER A 37 9.241 -4.566 -4.232 1.00 0.00 C ATOM 566 OG SER A 37 9.669 -4.140 -2.949 1.00 0.00 O ATOM 0 H SER A 37 6.952 -3.231 -4.029 1.00 0.00 H new ATOM 0 HA SER A 37 9.583 -2.716 -5.286 1.00 0.00 H new ATOM 0 HB2 SER A 37 8.441 -5.299 -4.128 1.00 0.00 H new ATOM 0 HB3 SER A 37 10.063 -5.063 -4.748 1.00 0.00 H new ATOM 0 HG SER A 37 9.977 -4.914 -2.433 1.00 0.00 H new ATOM 572 N LEU A 38 8.954 -3.824 -7.463 1.00 0.00 N ATOM 573 CA LEU A 38 8.541 -4.253 -8.795 1.00 0.00 C ATOM 574 C LEU A 38 8.872 -5.732 -9.024 1.00 0.00 C ATOM 575 O LEU A 38 8.034 -6.489 -9.520 1.00 0.00 O ATOM 576 CB LEU A 38 9.123 -3.355 -9.904 1.00 0.00 C ATOM 577 CG LEU A 38 10.579 -2.894 -9.732 1.00 0.00 C ATOM 578 CD1 LEU A 38 11.218 -2.685 -11.110 1.00 0.00 C ATOM 579 CD2 LEU A 38 10.652 -1.569 -8.960 1.00 0.00 C ATOM 0 H LEU A 38 9.908 -3.463 -7.432 1.00 0.00 H new ATOM 0 HA LEU A 38 7.458 -4.144 -8.849 1.00 0.00 H new ATOM 0 HB2 LEU A 38 9.046 -3.891 -10.850 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.494 -2.469 -9.988 1.00 0.00 H new ATOM 0 HG LEU A 38 11.111 -3.664 -9.173 1.00 0.00 H new ATOM 0 HD11 LEU A 38 12.250 -2.358 -10.986 1.00 0.00 H new ATOM 0 HD12 LEU A 38 11.198 -3.622 -11.666 1.00 0.00 H new ATOM 0 HD13 LEU A 38 10.660 -1.926 -11.658 1.00 0.00 H new ATOM 0 HD21 LEU A 38 11.694 -1.267 -8.853 1.00 0.00 H new ATOM 0 HD22 LEU A 38 10.105 -0.800 -9.505 1.00 0.00 H new ATOM 0 HD23 LEU A 38 10.209 -1.698 -7.973 1.00 0.00 H new ATOM 591 N ASP A 39 10.090 -6.142 -8.651 1.00 0.00 N ATOM 592 CA ASP A 39 10.671 -7.450 -8.933 1.00 0.00 C ATOM 593 C ASP A 39 9.728 -8.553 -8.497 1.00 0.00 C ATOM 594 O ASP A 39 9.244 -9.340 -9.305 1.00 0.00 O ATOM 595 CB ASP A 39 11.999 -7.634 -8.179 1.00 0.00 C ATOM 596 CG ASP A 39 12.914 -6.418 -8.255 1.00 0.00 C ATOM 597 OD1 ASP A 39 12.454 -5.356 -7.771 1.00 0.00 O ATOM 598 OD2 ASP A 39 14.031 -6.567 -8.790 1.00 0.00 O ATOM 0 H ASP A 39 10.721 -5.541 -8.121 1.00 0.00 H new ATOM 0 HA ASP A 39 10.845 -7.504 -10.008 1.00 0.00 H new ATOM 0 HB2 ASP A 39 11.786 -7.854 -7.133 1.00 0.00 H new ATOM 0 HB3 ASP A 39 12.522 -8.499 -8.587 1.00 0.00 H new ATOM 603 N ASN A 40 9.467 -8.581 -7.187 1.00 0.00 N ATOM 604 CA ASN A 40 8.603 -9.575 -6.586 1.00 0.00 C ATOM 605 C ASN A 40 7.146 -9.084 -6.576 1.00 0.00 C ATOM 606 O ASN A 40 6.324 -9.615 -5.835 1.00 0.00 O ATOM 607 CB ASN A 40 9.101 -9.943 -5.189 1.00 0.00 C ATOM 608 CG ASN A 40 8.501 -11.254 -4.679 1.00 0.00 C ATOM 609 OD1 ASN A 40 8.291 -12.196 -5.436 1.00 0.00 O ATOM 610 ND2 ASN A 40 8.257 -11.356 -3.374 1.00 0.00 N ATOM 0 H ASN A 40 9.853 -7.911 -6.522 1.00 0.00 H new ATOM 0 HA ASN A 40 8.633 -10.484 -7.187 1.00 0.00 H new ATOM 0 HB2 ASN A 40 10.188 -10.027 -5.205 1.00 0.00 H new ATOM 0 HB3 ASN A 40 8.853 -9.140 -4.495 1.00 0.00 H new ATOM 0 HD21 ASN A 40 7.890 -12.227 -2.990 1.00 0.00 H new ATOM 0 HD22 ASN A 40 8.437 -10.563 -2.758 1.00 0.00 H new ATOM 617 N GLN A 41 6.863 -8.031 -7.358 1.00 0.00 N ATOM 618 CA GLN A 41 5.598 -7.328 -7.517 1.00 0.00 C ATOM 619 C GLN A 41 4.732 -7.318 -6.248 1.00 0.00 C ATOM 620 O GLN A 41 3.584 -7.768 -6.231 1.00 0.00 O ATOM 621 CB GLN A 41 4.924 -7.813 -8.816 1.00 0.00 C ATOM 622 CG GLN A 41 4.610 -6.653 -9.781 1.00 0.00 C ATOM 623 CD GLN A 41 4.843 -7.048 -11.233 1.00 0.00 C ATOM 624 OE1 GLN A 41 3.900 -7.208 -12.006 1.00 0.00 O ATOM 625 NE2 GLN A 41 6.110 -7.193 -11.614 1.00 0.00 N ATOM 0 H GLN A 41 7.587 -7.618 -7.946 1.00 0.00 H new ATOM 0 HA GLN A 41 5.776 -6.260 -7.642 1.00 0.00 H new ATOM 0 HB2 GLN A 41 5.575 -8.531 -9.314 1.00 0.00 H new ATOM 0 HB3 GLN A 41 4.001 -8.338 -8.570 1.00 0.00 H new ATOM 0 HG2 GLN A 41 3.574 -6.342 -9.651 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.234 -5.794 -9.533 1.00 0.00 H new ATOM 0 HE21 GLN A 41 6.864 -7.051 -10.942 1.00 0.00 H new ATOM 0 HE22 GLN A 41 6.327 -7.446 -12.578 1.00 0.00 H new ATOM 634 N GLU A 42 5.307 -6.763 -5.176 1.00 0.00 N ATOM 635 CA GLU A 42 4.684 -6.686 -3.867 1.00 0.00 C ATOM 636 C GLU A 42 4.824 -5.265 -3.331 1.00 0.00 C ATOM 637 O GLU A 42 5.867 -4.629 -3.489 1.00 0.00 O ATOM 638 CB GLU A 42 5.278 -7.746 -2.928 1.00 0.00 C ATOM 639 CG GLU A 42 4.472 -7.845 -1.625 1.00 0.00 C ATOM 640 CD GLU A 42 4.824 -9.093 -0.832 1.00 0.00 C ATOM 641 OE1 GLU A 42 4.220 -10.144 -1.137 1.00 0.00 O ATOM 642 OE2 GLU A 42 5.640 -8.977 0.110 1.00 0.00 O ATOM 0 H GLU A 42 6.238 -6.348 -5.203 1.00 0.00 H new ATOM 0 HA GLU A 42 3.619 -6.907 -3.939 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.287 -8.715 -3.428 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.314 -7.495 -2.700 1.00 0.00 H new ATOM 0 HG2 GLU A 42 4.660 -6.962 -1.014 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.407 -7.851 -1.857 1.00 0.00 H new ATOM 649 N ALA A 43 3.744 -4.774 -2.726 1.00 0.00 N ATOM 650 CA ALA A 43 3.581 -3.418 -2.257 1.00 0.00 C ATOM 651 C ALA A 43 3.321 -3.434 -0.748 1.00 0.00 C ATOM 652 O ALA A 43 2.356 -4.040 -0.277 1.00 0.00 O ATOM 653 CB ALA A 43 2.475 -2.747 -3.077 1.00 0.00 C ATOM 0 H ALA A 43 2.922 -5.349 -2.545 1.00 0.00 H new ATOM 0 HA ALA A 43 4.484 -2.825 -2.402 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.340 -1.721 -2.735 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.754 -2.744 -4.131 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.543 -3.298 -2.950 1.00 0.00 H new ATOM 659 N THR A 44 4.217 -2.794 0.008 1.00 0.00 N ATOM 660 CA THR A 44 4.167 -2.670 1.455 1.00 0.00 C ATOM 661 C THR A 44 3.534 -1.345 1.806 1.00 0.00 C ATOM 662 O THR A 44 4.153 -0.327 1.539 1.00 0.00 O ATOM 663 CB THR A 44 5.610 -2.667 1.998 1.00 0.00 C ATOM 664 OG1 THR A 44 6.365 -3.698 1.400 1.00 0.00 O ATOM 665 CG2 THR A 44 5.626 -2.822 3.521 1.00 0.00 C ATOM 0 H THR A 44 5.030 -2.330 -0.396 1.00 0.00 H new ATOM 0 HA THR A 44 3.595 -3.494 1.882 1.00 0.00 H new ATOM 0 HB THR A 44 6.060 -1.707 1.746 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.751 -3.375 0.559 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.656 -2.817 3.876 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.081 -1.996 3.977 1.00 0.00 H new ATOM 0 HG23 THR A 44 5.152 -3.764 3.796 1.00 0.00 H new ATOM 673 N ILE A 45 2.346 -1.323 2.402 1.00 0.00 N ATOM 674 CA ILE A 45 1.734 -0.078 2.832 1.00 0.00 C ATOM 675 C ILE A 45 1.621 -0.142 4.349 1.00 0.00 C ATOM 676 O ILE A 45 1.001 -1.066 4.869 1.00 0.00 O ATOM 677 CB ILE A 45 0.393 0.108 2.113 1.00 0.00 C ATOM 678 CG1 ILE A 45 0.604 0.383 0.612 1.00 0.00 C ATOM 679 CG2 ILE A 45 -0.337 1.321 2.700 1.00 0.00 C ATOM 680 CD1 ILE A 45 1.103 -0.779 -0.244 1.00 0.00 C ATOM 0 H ILE A 45 1.790 -2.156 2.597 1.00 0.00 H new ATOM 0 HA ILE A 45 2.328 0.798 2.572 1.00 0.00 H new ATOM 0 HB ILE A 45 -0.184 -0.807 2.245 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -0.342 0.729 0.195 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.314 1.204 0.515 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -1.291 1.454 2.189 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.514 1.159 3.763 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.274 2.214 2.566 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.208 -0.450 -1.278 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.070 -1.117 0.129 1.00 0.00 H new ATOM 0 HD13 ILE A 45 0.388 -1.600 -0.195 1.00 0.00 H new ATOM 692 N VAL A 46 2.264 0.788 5.062 1.00 0.00 N ATOM 693 CA VAL A 46 2.294 0.786 6.522 1.00 0.00 C ATOM 694 C VAL A 46 1.428 1.925 7.043 1.00 0.00 C ATOM 695 O VAL A 46 1.730 3.086 6.757 1.00 0.00 O ATOM 696 CB VAL A 46 3.733 0.883 7.055 1.00 0.00 C ATOM 697 CG1 VAL A 46 3.780 0.367 8.495 1.00 0.00 C ATOM 698 CG2 VAL A 46 4.682 0.040 6.202 1.00 0.00 C ATOM 0 H VAL A 46 2.777 1.562 4.640 1.00 0.00 H new ATOM 0 HA VAL A 46 1.891 -0.160 6.884 1.00 0.00 H new ATOM 0 HB VAL A 46 4.045 1.927 7.015 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.800 0.436 8.873 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.120 0.970 9.119 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.453 -0.673 8.520 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.695 0.122 6.596 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.366 -1.003 6.229 1.00 0.00 H new ATOM 0 HG23 VAL A 46 4.662 0.399 5.173 1.00 0.00 H new ATOM 708 N TYR A 47 0.363 1.614 7.792 1.00 0.00 N ATOM 709 CA TYR A 47 -0.597 2.626 8.219 1.00 0.00 C ATOM 710 C TYR A 47 -1.092 2.393 9.642 1.00 0.00 C ATOM 711 O TYR A 47 -0.898 1.314 10.196 1.00 0.00 O ATOM 712 CB TYR A 47 -1.756 2.711 7.213 1.00 0.00 C ATOM 713 CG TYR A 47 -2.924 1.778 7.484 1.00 0.00 C ATOM 714 CD1 TYR A 47 -3.987 2.222 8.290 1.00 0.00 C ATOM 715 CD2 TYR A 47 -2.985 0.498 6.903 1.00 0.00 C ATOM 716 CE1 TYR A 47 -5.106 1.407 8.504 1.00 0.00 C ATOM 717 CE2 TYR A 47 -4.123 -0.307 7.105 1.00 0.00 C ATOM 718 CZ TYR A 47 -5.171 0.139 7.923 1.00 0.00 C ATOM 719 OH TYR A 47 -6.255 -0.653 8.155 1.00 0.00 O ATOM 0 H TYR A 47 0.149 0.669 8.112 1.00 0.00 H new ATOM 0 HA TYR A 47 -0.085 3.588 8.236 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -2.127 3.736 7.198 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -1.367 2.499 6.217 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -3.940 3.199 8.748 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -2.163 0.134 6.305 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -5.920 1.760 9.120 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -4.189 -1.273 6.627 1.00 0.00 H new ATOM 0 HH TYR A 47 -6.980 -0.113 8.534 1.00 0.00 H new ATOM 729 N GLN A 48 -1.726 3.426 10.205 1.00 0.00 N ATOM 730 CA GLN A 48 -2.220 3.510 11.572 1.00 0.00 C ATOM 731 C GLN A 48 -3.702 3.099 11.648 1.00 0.00 C ATOM 732 O GLN A 48 -4.547 3.840 11.135 1.00 0.00 O ATOM 733 CB GLN A 48 -2.018 4.965 12.009 1.00 0.00 C ATOM 734 CG GLN A 48 -2.433 5.161 13.476 1.00 0.00 C ATOM 735 CD GLN A 48 -1.508 6.114 14.230 1.00 0.00 C ATOM 736 OE1 GLN A 48 -1.427 7.295 13.916 1.00 0.00 O ATOM 737 NE2 GLN A 48 -0.802 5.618 15.237 1.00 0.00 N ATOM 0 H GLN A 48 -1.917 4.279 9.679 1.00 0.00 H new ATOM 0 HA GLN A 48 -1.684 2.828 12.232 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -0.972 5.245 11.882 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -2.604 5.625 11.370 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -3.452 5.546 13.512 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -2.440 4.194 13.979 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -0.885 4.631 15.481 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -0.176 6.223 15.768 1.00 0.00 H new ATOM 746 N PRO A 49 -4.051 1.958 12.277 1.00 0.00 N ATOM 747 CA PRO A 49 -5.412 1.429 12.276 1.00 0.00 C ATOM 748 C PRO A 49 -6.343 2.238 13.186 1.00 0.00 C ATOM 749 O PRO A 49 -6.743 1.782 14.253 1.00 0.00 O ATOM 750 CB PRO A 49 -5.283 -0.037 12.703 1.00 0.00 C ATOM 751 CG PRO A 49 -4.079 0.003 13.638 1.00 0.00 C ATOM 752 CD PRO A 49 -3.162 1.006 12.937 1.00 0.00 C ATOM 0 HA PRO A 49 -5.873 1.504 11.291 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -6.180 -0.394 13.210 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -5.115 -0.696 11.851 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.352 0.332 14.641 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -3.610 -0.976 13.741 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.512 1.509 13.653 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -2.516 0.508 12.214 1.00 0.00 H new ATOM 760 N HIS A 50 -6.703 3.432 12.718 1.00 0.00 N ATOM 761 CA HIS A 50 -7.695 4.337 13.285 1.00 0.00 C ATOM 762 C HIS A 50 -7.879 5.514 12.331 1.00 0.00 C ATOM 763 O HIS A 50 -9.005 5.916 12.056 1.00 0.00 O ATOM 764 CB HIS A 50 -7.278 4.852 14.675 1.00 0.00 C ATOM 765 CG HIS A 50 -7.766 4.020 15.836 1.00 0.00 C ATOM 766 ND1 HIS A 50 -7.005 3.579 16.895 1.00 0.00 N ATOM 767 CD2 HIS A 50 -9.063 3.647 16.079 1.00 0.00 C ATOM 768 CE1 HIS A 50 -7.828 2.948 17.750 1.00 0.00 C ATOM 769 NE2 HIS A 50 -9.093 2.968 17.301 1.00 0.00 N ATOM 0 H HIS A 50 -6.278 3.817 11.874 1.00 0.00 H new ATOM 0 HA HIS A 50 -8.630 3.791 13.410 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -6.190 4.903 14.716 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -7.649 5.870 14.795 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -9.911 3.843 15.440 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -7.514 2.487 18.675 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -9.912 2.568 17.759 1.00 0.00 H new ATOM 777 N LEU A 51 -6.772 6.083 11.844 1.00 0.00 N ATOM 778 CA LEU A 51 -6.832 7.292 11.032 1.00 0.00 C ATOM 779 C LEU A 51 -7.411 7.010 9.651 1.00 0.00 C ATOM 780 O LEU A 51 -8.187 7.805 9.127 1.00 0.00 O ATOM 781 CB LEU A 51 -5.450 7.913 10.894 1.00 0.00 C ATOM 782 CG LEU A 51 -4.884 8.385 12.248 1.00 0.00 C ATOM 783 CD1 LEU A 51 -3.415 8.792 12.106 1.00 0.00 C ATOM 784 CD2 LEU A 51 -5.650 9.585 12.823 1.00 0.00 C ATOM 0 H LEU A 51 -5.830 5.724 12.000 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.492 7.994 11.542 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.769 7.185 10.452 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -5.501 8.759 10.209 1.00 0.00 H new ATOM 0 HG LEU A 51 -4.991 7.540 12.928 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.034 9.122 13.072 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.833 7.938 11.759 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.331 9.606 11.386 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -5.209 9.875 13.777 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.592 10.422 12.127 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -6.694 9.311 12.975 1.00 0.00 H new ATOM 796 N ILE A 52 -6.987 5.899 9.049 1.00 0.00 N ATOM 797 CA ILE A 52 -7.372 5.499 7.711 1.00 0.00 C ATOM 798 C ILE A 52 -7.660 3.998 7.730 1.00 0.00 C ATOM 799 O ILE A 52 -7.637 3.394 8.803 1.00 0.00 O ATOM 800 CB ILE A 52 -6.278 5.973 6.731 1.00 0.00 C ATOM 801 CG1 ILE A 52 -6.906 6.610 5.504 1.00 0.00 C ATOM 802 CG2 ILE A 52 -5.227 4.960 6.328 1.00 0.00 C ATOM 803 CD1 ILE A 52 -6.044 6.710 4.240 1.00 0.00 C ATOM 0 H ILE A 52 -6.350 5.240 9.497 1.00 0.00 H new ATOM 0 HA ILE A 52 -8.292 5.966 7.359 1.00 0.00 H new ATOM 0 HB ILE A 52 -5.714 6.705 7.309 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -7.805 6.046 5.255 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -7.226 7.616 5.774 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -4.521 5.423 5.638 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -4.695 4.615 7.215 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -5.707 4.112 5.841 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -6.618 7.185 3.444 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -5.156 7.306 4.451 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -5.744 5.711 3.924 1.00 0.00 H new ATOM 815 N SER A 53 -7.972 3.397 6.580 1.00 0.00 N ATOM 816 CA SER A 53 -8.364 1.998 6.488 1.00 0.00 C ATOM 817 C SER A 53 -7.782 1.376 5.220 1.00 0.00 C ATOM 818 O SER A 53 -7.584 2.083 4.228 1.00 0.00 O ATOM 819 CB SER A 53 -9.894 1.922 6.471 1.00 0.00 C ATOM 820 OG SER A 53 -10.391 2.612 5.337 1.00 0.00 O ATOM 0 H SER A 53 -7.958 3.877 5.680 1.00 0.00 H new ATOM 0 HA SER A 53 -7.981 1.443 7.344 1.00 0.00 H new ATOM 0 HB2 SER A 53 -10.216 0.881 6.446 1.00 0.00 H new ATOM 0 HB3 SER A 53 -10.300 2.360 7.383 1.00 0.00 H new ATOM 0 HG SER A 53 -11.370 2.561 5.326 1.00 0.00 H new ATOM 826 N VAL A 54 -7.560 0.051 5.248 1.00 0.00 N ATOM 827 CA VAL A 54 -7.198 -0.765 4.086 1.00 0.00 C ATOM 828 C VAL A 54 -7.946 -0.304 2.839 1.00 0.00 C ATOM 829 O VAL A 54 -7.351 -0.147 1.776 1.00 0.00 O ATOM 830 CB VAL A 54 -7.505 -2.254 4.348 1.00 0.00 C ATOM 831 CG1 VAL A 54 -7.441 -3.098 3.065 1.00 0.00 C ATOM 832 CG2 VAL A 54 -6.501 -2.854 5.331 1.00 0.00 C ATOM 0 H VAL A 54 -7.631 -0.494 6.107 1.00 0.00 H new ATOM 0 HA VAL A 54 -6.128 -0.644 3.920 1.00 0.00 H new ATOM 0 HB VAL A 54 -8.516 -2.280 4.755 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.664 -4.138 3.302 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -8.171 -2.725 2.347 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.442 -3.031 2.635 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -6.739 -3.904 5.499 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.495 -2.771 4.919 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -6.551 -2.315 6.277 1.00 0.00 H new ATOM 842 N GLU A 55 -9.262 -0.147 2.974 1.00 0.00 N ATOM 843 CA GLU A 55 -10.127 0.149 1.854 1.00 0.00 C ATOM 844 C GLU A 55 -9.766 1.489 1.222 1.00 0.00 C ATOM 845 O GLU A 55 -9.595 1.515 0.019 1.00 0.00 O ATOM 846 CB GLU A 55 -11.586 0.024 2.280 1.00 0.00 C ATOM 847 CG GLU A 55 -12.590 0.189 1.129 1.00 0.00 C ATOM 848 CD GLU A 55 -13.162 1.600 1.038 1.00 0.00 C ATOM 849 OE1 GLU A 55 -13.608 2.094 2.096 1.00 0.00 O ATOM 850 OE2 GLU A 55 -13.162 2.143 -0.086 1.00 0.00 O ATOM 0 H GLU A 55 -9.750 -0.223 3.867 1.00 0.00 H new ATOM 0 HA GLU A 55 -9.976 -0.584 1.062 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -11.736 -0.952 2.742 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -11.797 0.774 3.042 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -12.100 -0.060 0.188 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -13.407 -0.521 1.261 1.00 0.00 H new ATOM 857 N GLU A 56 -9.559 2.572 1.977 1.00 0.00 N ATOM 858 CA GLU A 56 -9.100 3.832 1.413 1.00 0.00 C ATOM 859 C GLU A 56 -7.822 3.561 0.630 1.00 0.00 C ATOM 860 O GLU A 56 -7.728 3.911 -0.541 1.00 0.00 O ATOM 861 CB GLU A 56 -8.882 4.893 2.510 1.00 0.00 C ATOM 862 CG GLU A 56 -9.702 6.166 2.238 1.00 0.00 C ATOM 863 CD GLU A 56 -9.156 6.965 1.058 1.00 0.00 C ATOM 864 OE1 GLU A 56 -8.032 7.489 1.203 1.00 0.00 O ATOM 865 OE2 GLU A 56 -9.854 7.044 0.023 1.00 0.00 O ATOM 0 H GLU A 56 -9.705 2.595 2.986 1.00 0.00 H new ATOM 0 HA GLU A 56 -9.859 4.238 0.745 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -9.163 4.479 3.478 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.823 5.147 2.566 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -10.738 5.893 2.040 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -9.702 6.793 3.130 1.00 0.00 H new ATOM 872 N MET A 57 -6.852 2.882 1.247 1.00 0.00 N ATOM 873 CA MET A 57 -5.604 2.574 0.586 1.00 0.00 C ATOM 874 C MET A 57 -5.852 1.870 -0.762 1.00 0.00 C ATOM 875 O MET A 57 -5.474 2.393 -1.805 1.00 0.00 O ATOM 876 CB MET A 57 -4.661 1.832 1.534 1.00 0.00 C ATOM 877 CG MET A 57 -4.793 2.245 3.010 1.00 0.00 C ATOM 878 SD MET A 57 -3.296 2.315 4.010 1.00 0.00 S ATOM 879 CE MET A 57 -2.581 3.853 3.393 1.00 0.00 C ATOM 0 H MET A 57 -6.917 2.539 2.205 1.00 0.00 H new ATOM 0 HA MET A 57 -5.087 3.499 0.329 1.00 0.00 H new ATOM 0 HB2 MET A 57 -4.849 0.762 1.450 1.00 0.00 H new ATOM 0 HB3 MET A 57 -3.634 2.002 1.212 1.00 0.00 H new ATOM 0 HG2 MET A 57 -5.260 3.229 3.040 1.00 0.00 H new ATOM 0 HG3 MET A 57 -5.482 1.550 3.490 1.00 0.00 H new ATOM 0 HE1 MET A 57 -1.502 3.839 3.544 1.00 0.00 H new ATOM 0 HE2 MET A 57 -2.798 3.954 2.330 1.00 0.00 H new ATOM 0 HE3 MET A 57 -3.011 4.697 3.933 1.00 0.00 H new ATOM 889 N LYS A 58 -6.524 0.716 -0.778 1.00 0.00 N ATOM 890 CA LYS A 58 -6.830 0.016 -2.023 1.00 0.00 C ATOM 891 C LYS A 58 -7.677 0.844 -2.973 1.00 0.00 C ATOM 892 O LYS A 58 -7.298 1.017 -4.119 1.00 0.00 O ATOM 893 CB LYS A 58 -7.411 -1.370 -1.750 1.00 0.00 C ATOM 894 CG LYS A 58 -8.367 -1.922 -2.816 1.00 0.00 C ATOM 895 CD LYS A 58 -8.800 -3.359 -2.482 1.00 0.00 C ATOM 896 CE LYS A 58 -7.772 -4.407 -2.945 1.00 0.00 C ATOM 897 NZ LYS A 58 -8.128 -5.000 -4.250 1.00 0.00 N ATOM 0 H LYS A 58 -6.866 0.248 0.061 1.00 0.00 H new ATOM 0 HA LYS A 58 -5.887 -0.136 -2.548 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -6.585 -2.072 -1.633 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -7.940 -1.339 -0.797 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -9.246 -1.281 -2.887 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -7.879 -1.903 -3.791 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -8.947 -3.450 -1.406 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -9.761 -3.564 -2.954 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -6.789 -3.942 -3.015 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -7.699 -5.197 -2.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -7.269 -5.118 -4.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -8.574 -5.928 -4.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -8.793 -4.373 -4.746 1.00 0.00 H new ATOM 911 N LYS A 59 -8.832 1.320 -2.535 1.00 0.00 N ATOM 912 CA LYS A 59 -9.740 2.125 -3.330 1.00 0.00 C ATOM 913 C LYS A 59 -8.972 3.235 -4.025 1.00 0.00 C ATOM 914 O LYS A 59 -9.220 3.485 -5.205 1.00 0.00 O ATOM 915 CB LYS A 59 -10.860 2.669 -2.443 1.00 0.00 C ATOM 916 CG LYS A 59 -12.165 2.985 -3.184 1.00 0.00 C ATOM 917 CD LYS A 59 -12.266 4.437 -3.679 1.00 0.00 C ATOM 918 CE LYS A 59 -12.686 4.508 -5.154 1.00 0.00 C ATOM 919 NZ LYS A 59 -11.530 4.366 -6.061 1.00 0.00 N ATOM 0 H LYS A 59 -9.172 1.151 -1.588 1.00 0.00 H new ATOM 0 HA LYS A 59 -10.201 1.511 -4.104 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -11.070 1.942 -1.659 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -10.508 3.576 -1.951 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -12.258 2.313 -4.038 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -13.006 2.778 -2.522 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -12.988 4.980 -3.069 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -11.304 4.933 -3.551 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -13.411 3.722 -5.364 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -13.183 5.459 -5.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -11.310 5.287 -6.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -10.706 4.029 -5.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -11.758 3.681 -6.809 1.00 0.00 H new ATOM 933 N GLN A 60 -8.044 3.878 -3.313 1.00 0.00 N ATOM 934 CA GLN A 60 -7.150 4.853 -3.927 1.00 0.00 C ATOM 935 C GLN A 60 -6.188 4.197 -4.935 1.00 0.00 C ATOM 936 O GLN A 60 -6.109 4.637 -6.078 1.00 0.00 O ATOM 937 CB GLN A 60 -6.399 5.636 -2.850 1.00 0.00 C ATOM 938 CG GLN A 60 -7.343 6.515 -2.014 1.00 0.00 C ATOM 939 CD GLN A 60 -7.920 7.715 -2.754 1.00 0.00 C ATOM 940 OE1 GLN A 60 -7.395 8.156 -3.776 1.00 0.00 O ATOM 941 NE2 GLN A 60 -9.024 8.252 -2.245 1.00 0.00 N ATOM 0 H GLN A 60 -7.895 3.739 -2.314 1.00 0.00 H new ATOM 0 HA GLN A 60 -7.758 5.557 -4.496 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -5.876 4.940 -2.194 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -5.641 6.263 -3.320 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -8.166 5.898 -1.653 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -6.803 6.872 -1.137 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -9.435 7.864 -1.396 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -9.460 9.052 -2.703 1.00 0.00 H new ATOM 950 N ILE A 61 -5.442 3.160 -4.542 1.00 0.00 N ATOM 951 CA ILE A 61 -4.489 2.485 -5.431 1.00 0.00 C ATOM 952 C ILE A 61 -5.197 1.917 -6.657 1.00 0.00 C ATOM 953 O ILE A 61 -4.900 2.334 -7.772 1.00 0.00 O ATOM 954 CB ILE A 61 -3.679 1.420 -4.680 1.00 0.00 C ATOM 955 CG1 ILE A 61 -2.846 2.156 -3.622 1.00 0.00 C ATOM 956 CG2 ILE A 61 -2.749 0.658 -5.639 1.00 0.00 C ATOM 957 CD1 ILE A 61 -2.019 1.201 -2.775 1.00 0.00 C ATOM 0 H ILE A 61 -5.481 2.765 -3.602 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.773 3.226 -5.787 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.347 0.689 -4.224 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.184 2.868 -4.114 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.509 2.731 -2.976 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.186 -0.091 -5.082 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -3.344 0.166 -6.409 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.057 1.358 -6.107 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.447 1.768 -2.041 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.681 0.505 -2.260 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.336 0.645 -3.416 1.00 0.00 H new ATOM 969 N GLU A 62 -6.121 0.974 -6.481 1.00 0.00 N ATOM 970 CA GLU A 62 -6.866 0.392 -7.573 1.00 0.00 C ATOM 971 C GLU A 62 -7.541 1.438 -8.473 1.00 0.00 C ATOM 972 O GLU A 62 -7.706 1.171 -9.660 1.00 0.00 O ATOM 973 CB GLU A 62 -7.834 -0.647 -6.978 1.00 0.00 C ATOM 974 CG GLU A 62 -7.439 -2.037 -7.475 1.00 0.00 C ATOM 975 CD GLU A 62 -7.979 -3.192 -6.655 1.00 0.00 C ATOM 976 OE1 GLU A 62 -8.939 -3.002 -5.874 1.00 0.00 O ATOM 977 OE2 GLU A 62 -7.350 -4.273 -6.658 1.00 0.00 O ATOM 0 H GLU A 62 -6.368 0.596 -5.566 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.185 -0.112 -8.259 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.800 -0.613 -5.889 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.858 -0.419 -7.272 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -7.784 -2.149 -8.503 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -6.351 -2.103 -7.494 1.00 0.00 H new ATOM 984 N ALA A 63 -7.866 2.641 -7.975 1.00 0.00 N ATOM 985 CA ALA A 63 -8.346 3.717 -8.847 1.00 0.00 C ATOM 986 C ALA A 63 -7.386 4.006 -10.003 1.00 0.00 C ATOM 987 O ALA A 63 -7.829 4.353 -11.095 1.00 0.00 O ATOM 988 CB ALA A 63 -8.570 5.011 -8.067 1.00 0.00 C ATOM 0 H ALA A 63 -7.806 2.888 -6.987 1.00 0.00 H new ATOM 0 HA ALA A 63 -9.292 3.363 -9.257 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -8.926 5.787 -8.744 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.313 4.842 -7.287 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -7.632 5.329 -7.612 1.00 0.00 H new ATOM 994 N MET A 64 -6.075 3.885 -9.765 1.00 0.00 N ATOM 995 CA MET A 64 -5.065 4.042 -10.794 1.00 0.00 C ATOM 996 C MET A 64 -5.292 3.040 -11.932 1.00 0.00 C ATOM 997 O MET A 64 -5.036 3.358 -13.091 1.00 0.00 O ATOM 998 CB MET A 64 -3.679 3.845 -10.177 1.00 0.00 C ATOM 999 CG MET A 64 -3.307 4.875 -9.107 1.00 0.00 C ATOM 1000 SD MET A 64 -3.332 6.609 -9.631 1.00 0.00 S ATOM 1001 CE MET A 64 -2.619 7.384 -8.166 1.00 0.00 C ATOM 0 H MET A 64 -5.692 3.674 -8.843 1.00 0.00 H new ATOM 0 HA MET A 64 -5.134 5.046 -11.212 1.00 0.00 H new ATOM 0 HB2 MET A 64 -3.630 2.849 -9.737 1.00 0.00 H new ATOM 0 HB3 MET A 64 -2.933 3.880 -10.971 1.00 0.00 H new ATOM 0 HG2 MET A 64 -3.992 4.760 -8.267 1.00 0.00 H new ATOM 0 HG3 MET A 64 -2.308 4.642 -8.738 1.00 0.00 H new ATOM 0 HE1 MET A 64 -2.560 8.462 -8.317 1.00 0.00 H new ATOM 0 HE2 MET A 64 -3.247 7.173 -7.300 1.00 0.00 H new ATOM 0 HE3 MET A 64 -1.619 6.986 -7.994 1.00 0.00 H new ATOM 1011 N GLY A 65 -5.751 1.830 -11.595 1.00 0.00 N ATOM 1012 CA GLY A 65 -6.041 0.760 -12.541 1.00 0.00 C ATOM 1013 C GLY A 65 -5.338 -0.529 -12.121 1.00 0.00 C ATOM 1014 O GLY A 65 -5.735 -1.621 -12.520 1.00 0.00 O ATOM 0 H GLY A 65 -5.935 1.566 -10.627 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -7.117 0.594 -12.593 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -5.715 1.051 -13.540 1.00 0.00 H new ATOM 1018 N PHE A 66 -4.279 -0.400 -11.322 1.00 0.00 N ATOM 1019 CA PHE A 66 -3.449 -1.510 -10.897 1.00 0.00 C ATOM 1020 C PHE A 66 -4.217 -2.403 -9.922 1.00 0.00 C ATOM 1021 O PHE A 66 -4.523 -1.918 -8.836 1.00 0.00 O ATOM 1022 CB PHE A 66 -2.241 -0.924 -10.166 1.00 0.00 C ATOM 1023 CG PHE A 66 -1.451 0.094 -10.961 1.00 0.00 C ATOM 1024 CD1 PHE A 66 -0.885 -0.255 -12.200 1.00 0.00 C ATOM 1025 CD2 PHE A 66 -1.309 1.404 -10.469 1.00 0.00 C ATOM 1026 CE1 PHE A 66 -0.238 0.725 -12.973 1.00 0.00 C ATOM 1027 CE2 PHE A 66 -0.627 2.371 -11.222 1.00 0.00 C ATOM 1028 CZ PHE A 66 -0.134 2.041 -12.493 1.00 0.00 C ATOM 0 H PHE A 66 -3.974 0.499 -10.949 1.00 0.00 H new ATOM 0 HA PHE A 66 -3.150 -2.103 -11.761 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -2.584 -0.457 -9.243 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.575 -1.739 -9.882 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -0.947 -1.273 -12.557 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -1.727 1.666 -9.508 1.00 0.00 H new ATOM 0 HE1 PHE A 66 0.179 0.466 -13.935 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -0.482 3.365 -10.825 1.00 0.00 H new ATOM 0 HZ PHE A 66 0.327 2.802 -13.105 1.00 0.00 H new ATOM 1038 N PRO A 67 -4.506 -3.675 -10.236 1.00 0.00 N ATOM 1039 CA PRO A 67 -5.141 -4.566 -9.277 1.00 0.00 C ATOM 1040 C PRO A 67 -4.196 -4.790 -8.093 1.00 0.00 C ATOM 1041 O PRO A 67 -2.975 -4.718 -8.263 1.00 0.00 O ATOM 1042 CB PRO A 67 -5.400 -5.867 -10.040 1.00 0.00 C ATOM 1043 CG PRO A 67 -4.269 -5.884 -11.066 1.00 0.00 C ATOM 1044 CD PRO A 67 -4.093 -4.407 -11.422 1.00 0.00 C ATOM 0 HA PRO A 67 -6.070 -4.163 -8.873 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -5.364 -6.736 -9.383 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -6.380 -5.869 -10.517 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -3.355 -6.309 -10.650 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -4.529 -6.480 -11.941 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -3.058 -4.185 -11.680 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -4.702 -4.135 -12.284 1.00 0.00 H new ATOM 1052 N ALA A 68 -4.743 -5.051 -6.901 1.00 0.00 N ATOM 1053 CA ALA A 68 -3.927 -5.368 -5.737 1.00 0.00 C ATOM 1054 C ALA A 68 -4.593 -6.390 -4.815 1.00 0.00 C ATOM 1055 O ALA A 68 -5.798 -6.301 -4.558 1.00 0.00 O ATOM 1056 CB ALA A 68 -3.610 -4.089 -4.963 1.00 0.00 C ATOM 0 H ALA A 68 -5.747 -5.048 -6.723 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.004 -5.820 -6.100 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.999 -4.332 -4.093 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.065 -3.399 -5.608 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.539 -3.622 -4.635 1.00 0.00 H new ATOM 1062 N PHE A 69 -3.801 -7.323 -4.267 1.00 0.00 N ATOM 1063 CA PHE A 69 -4.259 -8.345 -3.332 1.00 0.00 C ATOM 1064 C PHE A 69 -3.680 -8.085 -1.945 1.00 0.00 C ATOM 1065 O PHE A 69 -2.690 -8.712 -1.567 1.00 0.00 O ATOM 1066 CB PHE A 69 -3.865 -9.732 -3.828 1.00 0.00 C ATOM 1067 CG PHE A 69 -4.712 -10.269 -4.959 1.00 0.00 C ATOM 1068 CD1 PHE A 69 -5.900 -10.967 -4.669 1.00 0.00 C ATOM 1069 CD2 PHE A 69 -4.321 -10.071 -6.297 1.00 0.00 C ATOM 1070 CE1 PHE A 69 -6.670 -11.506 -5.714 1.00 0.00 C ATOM 1071 CE2 PHE A 69 -5.098 -10.601 -7.341 1.00 0.00 C ATOM 1072 CZ PHE A 69 -6.263 -11.332 -7.049 1.00 0.00 C ATOM 0 H PHE A 69 -2.803 -7.384 -4.470 1.00 0.00 H new ATOM 0 HA PHE A 69 -5.346 -8.301 -3.267 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -2.825 -9.703 -4.154 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -3.917 -10.429 -2.992 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -6.219 -11.088 -3.644 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -3.424 -9.512 -6.521 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -7.574 -12.054 -5.492 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -4.800 -10.447 -8.368 1.00 0.00 H new ATOM 0 HZ PHE A 69 -6.846 -11.760 -7.851 1.00 0.00 H new ATOM 1082 N VAL A 70 -4.325 -7.185 -1.200 1.00 0.00 N ATOM 1083 CA VAL A 70 -4.030 -6.868 0.193 1.00 0.00 C ATOM 1084 C VAL A 70 -4.425 -8.027 1.114 1.00 0.00 C ATOM 1085 O VAL A 70 -5.610 -8.257 1.341 1.00 0.00 O ATOM 1086 CB VAL A 70 -4.625 -5.498 0.547 1.00 0.00 C ATOM 1087 CG1 VAL A 70 -6.134 -5.530 0.723 1.00 0.00 C ATOM 1088 CG2 VAL A 70 -3.944 -4.961 1.805 1.00 0.00 C ATOM 0 H VAL A 70 -5.100 -6.635 -1.570 1.00 0.00 H new ATOM 0 HA VAL A 70 -2.956 -6.765 0.349 1.00 0.00 H new ATOM 0 HB VAL A 70 -4.435 -4.831 -0.294 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -6.493 -4.531 0.972 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -6.601 -5.863 -0.204 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.392 -6.219 1.527 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.364 -3.988 2.059 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.107 -5.654 2.631 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -2.874 -4.858 1.624 1.00 0.00 H new ATOM 1098 N LYS A 71 -3.448 -8.799 1.612 1.00 0.00 N ATOM 1099 CA LYS A 71 -3.740 -9.935 2.476 1.00 0.00 C ATOM 1100 C LYS A 71 -2.560 -10.353 3.360 1.00 0.00 C ATOM 1101 O LYS A 71 -2.189 -11.524 3.406 1.00 0.00 O ATOM 1102 CB LYS A 71 -4.300 -11.079 1.637 1.00 0.00 C ATOM 1103 CG LYS A 71 -3.313 -11.485 0.555 1.00 0.00 C ATOM 1104 CD LYS A 71 -3.999 -12.481 -0.394 1.00 0.00 C ATOM 1105 CE LYS A 71 -3.025 -13.062 -1.428 1.00 0.00 C ATOM 1106 NZ LYS A 71 -3.709 -13.935 -2.408 1.00 0.00 N ATOM 0 H LYS A 71 -2.455 -8.652 1.428 1.00 0.00 H new ATOM 0 HA LYS A 71 -4.502 -9.628 3.192 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -4.517 -11.934 2.277 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -5.242 -10.775 1.181 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -2.977 -10.608 0.002 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -2.428 -11.938 1.002 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -4.435 -13.293 0.188 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -4.819 -11.982 -0.910 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -2.527 -12.247 -1.954 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -2.250 -13.631 -0.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -3.014 -14.306 -3.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -4.163 -14.727 -1.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -4.432 -13.386 -2.917 1.00 0.00 H new ATOM 1120 N LYS A 72 -2.008 -9.414 4.123 1.00 0.00 N ATOM 1121 CA LYS A 72 -1.076 -9.700 5.203 1.00 0.00 C ATOM 1122 C LYS A 72 -1.086 -8.507 6.147 1.00 0.00 C ATOM 1123 O LYS A 72 -0.490 -7.492 5.802 1.00 0.00 O ATOM 1124 CB LYS A 72 0.350 -9.897 4.671 1.00 0.00 C ATOM 1125 CG LYS A 72 0.682 -11.317 4.199 1.00 0.00 C ATOM 1126 CD LYS A 72 2.204 -11.520 4.255 1.00 0.00 C ATOM 1127 CE LYS A 72 2.588 -12.955 3.868 1.00 0.00 C ATOM 1128 NZ LYS A 72 4.009 -13.248 4.163 1.00 0.00 N ATOM 0 H LYS A 72 -2.200 -8.419 4.005 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.380 -10.617 5.707 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.509 -9.209 3.840 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.054 -9.618 5.455 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.181 -12.050 4.831 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.319 -11.470 3.183 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.692 -10.816 3.581 1.00 0.00 H new ATOM 0 HD3 LYS A 72 2.566 -11.303 5.260 1.00 0.00 H new ATOM 0 HE2 LYS A 72 1.953 -13.658 4.408 1.00 0.00 H new ATOM 0 HE3 LYS A 72 2.400 -13.106 2.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 4.226 -14.227 3.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 4.616 -12.594 3.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 4.184 -13.129 5.181 1.00 0.00 H new ATOM 1142 N ILE A 73 -1.732 -8.633 7.307 1.00 0.00 N ATOM 1143 CA ILE A 73 -1.698 -7.635 8.365 1.00 0.00 C ATOM 1144 C ILE A 73 -0.544 -8.020 9.299 1.00 0.00 C ATOM 1145 O ILE A 73 -0.771 -8.452 10.429 1.00 0.00 O ATOM 1146 CB ILE A 73 -3.072 -7.559 9.074 1.00 0.00 C ATOM 1147 CG1 ILE A 73 -4.217 -7.227 8.093 1.00 0.00 C ATOM 1148 CG2 ILE A 73 -3.074 -6.445 10.138 1.00 0.00 C ATOM 1149 CD1 ILE A 73 -4.826 -8.430 7.362 1.00 0.00 C ATOM 0 H ILE A 73 -2.302 -9.447 7.537 1.00 0.00 H new ATOM 0 HA ILE A 73 -1.519 -6.631 7.981 1.00 0.00 H new ATOM 0 HB ILE A 73 -3.232 -8.541 9.519 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.009 -6.719 8.644 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -3.843 -6.523 7.350 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.049 -6.408 10.625 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -2.305 -6.651 10.882 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -2.870 -5.486 9.661 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -5.620 -8.088 6.698 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -4.054 -8.929 6.777 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -5.237 -9.128 8.091 1.00 0.00 H new ATOM 1161 N GLU A 74 0.705 -7.903 8.830 1.00 0.00 N ATOM 1162 CA GLU A 74 1.860 -8.153 9.693 1.00 0.00 C ATOM 1163 C GLU A 74 2.088 -6.880 10.510 1.00 0.00 C ATOM 1164 O GLU A 74 2.946 -6.060 10.199 1.00 0.00 O ATOM 1165 CB GLU A 74 3.079 -8.655 8.890 1.00 0.00 C ATOM 1166 CG GLU A 74 4.205 -9.247 9.760 1.00 0.00 C ATOM 1167 CD GLU A 74 5.180 -8.188 10.285 1.00 0.00 C ATOM 1168 OE1 GLU A 74 5.996 -7.711 9.469 1.00 0.00 O ATOM 1169 OE2 GLU A 74 5.132 -7.862 11.493 1.00 0.00 O ATOM 0 H GLU A 74 0.937 -7.641 7.872 1.00 0.00 H new ATOM 0 HA GLU A 74 1.679 -8.972 10.389 1.00 0.00 H new ATOM 0 HB2 GLU A 74 2.746 -9.413 8.181 1.00 0.00 H new ATOM 0 HB3 GLU A 74 3.482 -7.827 8.307 1.00 0.00 H new ATOM 0 HG2 GLU A 74 3.763 -9.776 10.605 1.00 0.00 H new ATOM 0 HG3 GLU A 74 4.758 -9.983 9.177 1.00 0.00 H new ATOM 1176 N GLY A 75 1.234 -6.682 11.515 1.00 0.00 N ATOM 1177 CA GLY A 75 1.345 -5.606 12.485 1.00 0.00 C ATOM 1178 C GLY A 75 1.882 -6.166 13.797 1.00 0.00 C ATOM 1179 O GLY A 75 1.656 -7.337 14.104 1.00 0.00 O ATOM 0 H GLY A 75 0.427 -7.285 11.676 1.00 0.00 H new ATOM 0 HA2 GLY A 75 2.010 -4.828 12.109 1.00 0.00 H new ATOM 0 HA3 GLY A 75 0.371 -5.143 12.645 1.00 0.00 H new ATOM 1183 N ARG A 76 2.589 -5.339 14.566 1.00 0.00 N ATOM 1184 CA ARG A 76 3.207 -5.693 15.829 1.00 0.00 C ATOM 1185 C ARG A 76 3.625 -4.375 16.479 1.00 0.00 C ATOM 1186 O ARG A 76 3.649 -3.373 15.725 1.00 0.00 O ATOM 1187 CB ARG A 76 4.419 -6.607 15.593 1.00 0.00 C ATOM 1188 CG ARG A 76 5.522 -5.878 14.820 1.00 0.00 C ATOM 1189 CD ARG A 76 6.639 -6.840 14.408 1.00 0.00 C ATOM 1190 NE ARG A 76 7.753 -6.083 13.827 1.00 0.00 N ATOM 1191 CZ ARG A 76 7.709 -5.460 12.638 1.00 0.00 C ATOM 1192 NH1 ARG A 76 6.766 -5.758 11.735 1.00 0.00 N ATOM 1193 NH2 ARG A 76 8.623 -4.515 12.382 1.00 0.00 N ATOM 1194 OXT ARG A 76 3.945 -4.401 17.685 1.00 0.00 O ATOM 0 H ARG A 76 2.749 -4.365 14.309 1.00 0.00 H new ATOM 0 HA ARG A 76 2.522 -6.244 16.474 1.00 0.00 H new ATOM 0 HB2 ARG A 76 4.810 -6.952 16.551 1.00 0.00 H new ATOM 0 HB3 ARG A 76 4.107 -7.492 15.039 1.00 0.00 H new ATOM 0 HG2 ARG A 76 5.098 -5.408 13.933 1.00 0.00 H new ATOM 0 HG3 ARG A 76 5.935 -5.080 15.437 1.00 0.00 H new ATOM 0 HD2 ARG A 76 6.983 -7.405 15.274 1.00 0.00 H new ATOM 0 HD3 ARG A 76 6.261 -7.563 13.685 1.00 0.00 H new ATOM 0 HE ARG A 76 8.620 -6.026 14.362 1.00 0.00 H new ATOM 0 HH11 ARG A 76 6.065 -6.469 11.945 1.00 0.00 H new ATOM 0 HH12 ARG A 76 6.749 -5.274 10.837 1.00 0.00 H new ATOM 0 HH21 ARG A 76 9.329 -4.285 13.082 1.00 0.00 H new ATOM 0 HH22 ARG A 76 8.614 -4.025 11.487 1.00 0.00 H new TER 1208 ARG A 76 HETATM 1209 CU CU1 A 77 5.592 2.133 -14.031 1.00 0.00 CU