USER MOD reduce.3.24.130724 H: found=0, std=0, add=460, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 460 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 1 MET N :NH3+ 163:sc= -0.109 (180deg=-0.581) USER MOD Set 1.2: A 26 LYS NZ :NH3+ -177:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ -142:sc= -1.19 (180deg=-3.8!) USER MOD Single : A 7 HIS : no HD1:sc= -2.99 X(o=-3,f=-3.4!) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 48:sc= 1.04 USER MOD Single : A 21 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0634) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.91 USER MOD Single : A 23 GLN : amide:sc= -5.28! C(o=-5.3!,f=-11!) USER MOD Single : A 29 ASN : amide:sc= -10.8! C(o=-11!,f=-8.7!) USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0.0356 USER MOD Single : A 35 ASN : amide:sc= 0.335 X(o=0.33,f=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 157:sc= 0 (180deg=-0.356) USER MOD Single : A 50 SER OG : rot -82:sc= 0.99 USER MOD Single : A 51 ASN : amide:sc= -0.736 K(o=-0.74,f=-5!) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= 0.0134 X(o=0.013,f=0.3) USER MOD Single : A 58 HIS : no HD1:sc= -0.0161 K(o=-0.016,f=-2.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.839 -12.118 -4.814 1.00 0.00 N ATOM 2 CA MET A 1 -1.506 -11.941 -4.180 1.00 0.00 C ATOM 3 C MET A 1 -1.418 -10.621 -3.415 1.00 0.00 C ATOM 4 O MET A 1 -0.907 -9.632 -3.938 1.00 0.00 O ATOM 5 CB MET A 1 -0.423 -12.014 -5.261 1.00 0.00 C ATOM 6 CG MET A 1 -0.595 -11.001 -6.383 1.00 0.00 C ATOM 7 SD MET A 1 0.527 -11.305 -7.760 1.00 0.00 S ATOM 8 CE MET A 1 0.209 -9.870 -8.782 1.00 0.00 C ATOM 0 H1 MET A 1 -2.781 -12.855 -5.545 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.532 -12.401 -4.092 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.138 -11.222 -5.249 1.00 0.00 H new ATOM 0 HA MET A 1 -1.354 -12.741 -3.455 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.551 -11.862 -4.795 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.419 -13.017 -5.689 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.624 -11.032 -6.742 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.424 -9.998 -5.993 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.831 -9.915 -9.676 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.842 -9.855 -9.072 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.443 -8.965 -8.222 1.00 0.00 H new ATOM 20 N GLU A 2 -1.920 -10.598 -2.186 1.00 0.00 N ATOM 21 CA GLU A 2 -1.938 -9.357 -1.412 1.00 0.00 C ATOM 22 C GLU A 2 -0.828 -9.238 -0.366 1.00 0.00 C ATOM 23 O GLU A 2 -0.009 -10.134 -0.161 1.00 0.00 O ATOM 24 CB GLU A 2 -3.292 -9.223 -0.713 1.00 0.00 C ATOM 25 CG GLU A 2 -3.966 -7.887 -0.938 1.00 0.00 C ATOM 26 CD GLU A 2 -4.884 -7.509 0.197 1.00 0.00 C ATOM 27 OE1 GLU A 2 -4.407 -7.451 1.346 1.00 0.00 O ATOM 28 OE2 GLU A 2 -6.082 -7.278 -0.066 1.00 0.00 O ATOM 0 H GLU A 2 -2.314 -11.408 -1.708 1.00 0.00 H new ATOM 0 HA GLU A 2 -1.765 -8.555 -2.130 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -3.952 -10.016 -1.065 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -3.154 -9.374 0.358 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -3.206 -7.115 -1.060 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -4.536 -7.922 -1.867 1.00 0.00 H new ATOM 35 N ALA A 3 -0.852 -8.064 0.266 1.00 0.00 N ATOM 36 CA ALA A 3 0.071 -7.620 1.300 1.00 0.00 C ATOM 37 C ALA A 3 -0.687 -6.851 2.371 1.00 0.00 C ATOM 38 O ALA A 3 -1.622 -6.115 2.060 1.00 0.00 O ATOM 39 CB ALA A 3 1.139 -6.732 0.681 1.00 0.00 C ATOM 0 H ALA A 3 -1.559 -7.360 0.054 1.00 0.00 H new ATOM 0 HA ALA A 3 0.547 -8.488 1.757 1.00 0.00 H new ATOM 0 HB1 ALA A 3 1.830 -6.400 1.456 1.00 0.00 H new ATOM 0 HB2 ALA A 3 1.686 -7.294 -0.076 1.00 0.00 H new ATOM 0 HB3 ALA A 3 0.668 -5.865 0.219 1.00 0.00 H new ATOM 45 N ILE A 4 -0.254 -6.961 3.612 1.00 0.00 N ATOM 46 CA ILE A 4 -0.881 -6.234 4.702 1.00 0.00 C ATOM 47 C ILE A 4 -0.021 -5.033 5.072 1.00 0.00 C ATOM 48 O ILE A 4 1.191 -5.051 4.854 1.00 0.00 O ATOM 49 CB ILE A 4 -1.084 -7.164 5.920 1.00 0.00 C ATOM 50 CG1 ILE A 4 -1.758 -6.419 7.076 1.00 0.00 C ATOM 51 CG2 ILE A 4 0.245 -7.749 6.371 1.00 0.00 C ATOM 52 CD1 ILE A 4 -3.153 -5.932 6.754 1.00 0.00 C ATOM 0 H ILE A 4 0.532 -7.548 3.892 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.861 -5.879 4.384 1.00 0.00 H new ATOM 0 HB ILE A 4 -1.740 -7.980 5.614 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -1.804 -7.078 7.943 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -1.140 -5.566 7.356 1.00 0.00 H new ATOM 0 HG21 ILE A 4 0.083 -8.401 7.229 1.00 0.00 H new ATOM 0 HG22 ILE A 4 0.685 -8.324 5.556 1.00 0.00 H new ATOM 0 HG23 ILE A 4 0.922 -6.942 6.651 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -3.566 -5.414 7.620 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -3.113 -5.247 5.907 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.787 -6.783 6.503 1.00 0.00 H new ATOM 64 N ALA A 5 -0.625 -4.010 5.669 1.00 0.00 N ATOM 65 CA ALA A 5 0.140 -2.822 6.041 1.00 0.00 C ATOM 66 C ALA A 5 -0.115 -2.396 7.449 1.00 0.00 C ATOM 67 O ALA A 5 -1.117 -1.725 7.709 1.00 0.00 O ATOM 68 CB ALA A 5 -0.220 -1.674 5.102 1.00 0.00 C ATOM 0 H ALA A 5 -1.618 -3.977 5.902 1.00 0.00 H new ATOM 0 HA ALA A 5 1.196 -3.077 5.958 1.00 0.00 H new ATOM 0 HB1 ALA A 5 0.349 -0.786 5.378 1.00 0.00 H new ATOM 0 HB2 ALA A 5 0.019 -1.954 4.076 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -1.286 -1.460 5.181 1.00 0.00 H new ATOM 74 N LYS A 6 0.795 -2.695 8.375 1.00 0.00 N ATOM 75 CA LYS A 6 0.543 -2.208 9.704 1.00 0.00 C ATOM 76 C LYS A 6 1.454 -1.047 10.016 1.00 0.00 C ATOM 77 O LYS A 6 2.480 -1.182 10.680 1.00 0.00 O ATOM 78 CB LYS A 6 0.809 -3.345 10.697 1.00 0.00 C ATOM 79 CG LYS A 6 2.188 -3.984 10.527 1.00 0.00 C ATOM 80 CD LYS A 6 2.204 -5.005 9.399 1.00 0.00 C ATOM 81 CE LYS A 6 3.086 -6.196 9.730 1.00 0.00 C ATOM 82 NZ LYS A 6 4.455 -6.049 9.163 1.00 0.00 N ATOM 0 H LYS A 6 1.650 -3.233 8.236 1.00 0.00 H new ATOM 0 HA LYS A 6 -0.491 -1.871 9.780 1.00 0.00 H new ATOM 0 HB2 LYS A 6 0.717 -2.960 11.713 1.00 0.00 H new ATOM 0 HB3 LYS A 6 0.043 -4.111 10.576 1.00 0.00 H new ATOM 0 HG2 LYS A 6 2.926 -3.207 10.325 1.00 0.00 H new ATOM 0 HG3 LYS A 6 2.482 -4.467 11.459 1.00 0.00 H new ATOM 0 HD2 LYS A 6 1.188 -5.348 9.205 1.00 0.00 H new ATOM 0 HD3 LYS A 6 2.561 -4.531 8.485 1.00 0.00 H new ATOM 0 HE2 LYS A 6 3.152 -6.309 10.812 1.00 0.00 H new ATOM 0 HE3 LYS A 6 2.628 -7.106 9.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 4.791 -6.973 8.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 4.432 -5.377 8.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 5.099 -5.694 9.898 1.00 0.00 H new ATOM 96 N HIS A 7 0.952 0.114 9.661 1.00 0.00 N ATOM 97 CA HIS A 7 1.536 1.390 10.009 1.00 0.00 C ATOM 98 C HIS A 7 0.487 2.412 9.578 1.00 0.00 C ATOM 99 O HIS A 7 0.126 2.393 8.399 1.00 0.00 O ATOM 100 CB HIS A 7 2.897 1.596 9.364 1.00 0.00 C ATOM 101 CG HIS A 7 4.028 1.118 10.220 1.00 0.00 C ATOM 102 ND1 HIS A 7 3.908 0.912 11.581 1.00 0.00 N ATOM 103 CD2 HIS A 7 5.304 0.795 9.906 1.00 0.00 C ATOM 104 CE1 HIS A 7 5.060 0.485 12.062 1.00 0.00 C ATOM 105 NE2 HIS A 7 5.922 0.405 11.067 1.00 0.00 N ATOM 0 H HIS A 7 0.101 0.199 9.106 1.00 0.00 H new ATOM 0 HA HIS A 7 1.756 1.477 11.073 1.00 0.00 H new ATOM 0 HB2 HIS A 7 2.924 1.071 8.409 1.00 0.00 H new ATOM 0 HB3 HIS A 7 3.034 2.656 9.149 1.00 0.00 H new ATOM 0 HD2 HIS A 7 5.752 0.837 8.924 1.00 0.00 H new ATOM 0 HE1 HIS A 7 5.263 0.242 13.095 1.00 0.00 H new ATOM 0 HE2 HIS A 7 6.893 0.102 11.148 1.00 0.00 H new ATOM 114 N ASP A 8 0.003 3.331 10.403 1.00 0.00 N ATOM 115 CA ASP A 8 -0.949 4.295 9.860 1.00 0.00 C ATOM 116 C ASP A 8 -0.218 5.117 8.796 1.00 0.00 C ATOM 117 O ASP A 8 1.001 5.278 8.867 1.00 0.00 O ATOM 118 CB ASP A 8 -1.531 5.220 10.928 1.00 0.00 C ATOM 119 CG ASP A 8 -0.475 5.737 11.883 1.00 0.00 C ATOM 120 OD1 ASP A 8 0.347 6.578 11.464 1.00 0.00 O ATOM 121 OD2 ASP A 8 -0.468 5.297 13.052 1.00 0.00 O ATOM 0 H ASP A 8 0.234 3.431 11.391 1.00 0.00 H new ATOM 0 HA ASP A 8 -1.794 3.752 9.436 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -2.024 6.064 10.445 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -2.295 4.684 11.491 1.00 0.00 H new ATOM 126 N PHE A 9 -0.960 5.683 7.848 1.00 0.00 N ATOM 127 CA PHE A 9 -0.326 6.523 6.830 1.00 0.00 C ATOM 128 C PHE A 9 -1.321 7.373 6.058 1.00 0.00 C ATOM 129 O PHE A 9 -2.281 6.893 5.454 1.00 0.00 O ATOM 130 CB PHE A 9 0.480 5.695 5.829 1.00 0.00 C ATOM 131 CG PHE A 9 1.507 6.506 5.089 1.00 0.00 C ATOM 132 CD1 PHE A 9 2.691 6.875 5.705 1.00 0.00 C ATOM 133 CD2 PHE A 9 1.290 6.896 3.780 1.00 0.00 C ATOM 134 CE1 PHE A 9 3.641 7.617 5.029 1.00 0.00 C ATOM 135 CE2 PHE A 9 2.236 7.637 3.097 1.00 0.00 C ATOM 136 CZ PHE A 9 3.413 7.997 3.722 1.00 0.00 C ATOM 0 H PHE A 9 -1.971 5.582 7.761 1.00 0.00 H new ATOM 0 HA PHE A 9 0.340 7.183 7.385 1.00 0.00 H new ATOM 0 HB2 PHE A 9 0.978 4.882 6.356 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -0.201 5.239 5.111 1.00 0.00 H new ATOM 0 HD1 PHE A 9 2.875 6.579 6.727 1.00 0.00 H new ATOM 0 HD2 PHE A 9 0.371 6.618 3.286 1.00 0.00 H new ATOM 0 HE1 PHE A 9 4.560 7.899 5.522 1.00 0.00 H new ATOM 0 HE2 PHE A 9 2.054 7.934 2.075 1.00 0.00 H new ATOM 0 HZ PHE A 9 4.154 8.575 3.189 1.00 0.00 H new ATOM 146 N SER A 10 -0.960 8.649 6.019 1.00 0.00 N ATOM 147 CA SER A 10 -1.728 9.602 5.238 1.00 0.00 C ATOM 148 C SER A 10 -0.854 10.124 4.098 1.00 0.00 C ATOM 149 O SER A 10 -0.101 11.082 4.265 1.00 0.00 O ATOM 150 CB SER A 10 -2.251 10.777 6.068 1.00 0.00 C ATOM 151 OG SER A 10 -3.245 11.499 5.360 1.00 0.00 O ATOM 0 H SER A 10 -0.156 9.040 6.510 1.00 0.00 H new ATOM 0 HA SER A 10 -2.604 9.080 4.852 1.00 0.00 H new ATOM 0 HB2 SER A 10 -2.664 10.408 7.007 1.00 0.00 H new ATOM 0 HB3 SER A 10 -1.426 11.442 6.323 1.00 0.00 H new ATOM 0 HG SER A 10 -3.564 12.243 5.912 1.00 0.00 H new ATOM 157 N ALA A 11 -1.029 9.512 2.926 1.00 0.00 N ATOM 158 CA ALA A 11 -0.300 9.830 1.696 1.00 0.00 C ATOM 159 C ALA A 11 0.439 11.164 1.678 1.00 0.00 C ATOM 160 O ALA A 11 -0.017 12.184 2.193 1.00 0.00 O ATOM 161 CB ALA A 11 -1.318 9.844 0.577 1.00 0.00 C ATOM 0 H ALA A 11 -1.704 8.757 2.802 1.00 0.00 H new ATOM 0 HA ALA A 11 0.478 9.073 1.596 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -0.821 10.077 -0.364 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.792 8.865 0.504 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -2.076 10.600 0.784 1.00 0.00 H new ATOM 167 N THR A 12 1.614 11.096 1.030 1.00 0.00 N ATOM 168 CA THR A 12 2.511 12.231 0.860 1.00 0.00 C ATOM 169 C THR A 12 2.403 12.794 -0.570 1.00 0.00 C ATOM 170 O THR A 12 2.898 13.881 -0.864 1.00 0.00 O ATOM 171 CB THR A 12 3.968 11.813 1.225 1.00 0.00 C ATOM 172 OG1 THR A 12 4.284 12.241 2.537 1.00 0.00 O ATOM 173 CG2 THR A 12 5.057 12.360 0.310 1.00 0.00 C ATOM 0 H THR A 12 1.964 10.236 0.607 1.00 0.00 H new ATOM 0 HA THR A 12 2.219 13.032 1.539 1.00 0.00 H new ATOM 0 HB THR A 12 3.964 10.728 1.117 1.00 0.00 H new ATOM 0 HG1 THR A 12 5.200 11.972 2.757 1.00 0.00 H new ATOM 0 HG21 THR A 12 6.030 12.009 0.653 1.00 0.00 H new ATOM 0 HG22 THR A 12 4.884 12.013 -0.709 1.00 0.00 H new ATOM 0 HG23 THR A 12 5.036 13.450 0.331 1.00 0.00 H new ATOM 181 N ALA A 13 1.714 12.052 -1.430 1.00 0.00 N ATOM 182 CA ALA A 13 1.489 12.476 -2.814 1.00 0.00 C ATOM 183 C ALA A 13 0.006 12.330 -3.144 1.00 0.00 C ATOM 184 O ALA A 13 -0.694 11.555 -2.495 1.00 0.00 O ATOM 185 CB ALA A 13 2.335 11.645 -3.769 1.00 0.00 C ATOM 0 H ALA A 13 1.299 11.150 -1.195 1.00 0.00 H new ATOM 0 HA ALA A 13 1.783 13.519 -2.928 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.156 11.973 -4.793 1.00 0.00 H new ATOM 0 HB2 ALA A 13 3.390 11.773 -3.526 1.00 0.00 H new ATOM 0 HB3 ALA A 13 2.066 10.593 -3.672 1.00 0.00 H new ATOM 191 N ASP A 14 -0.493 13.066 -4.138 1.00 0.00 N ATOM 192 CA ASP A 14 -1.894 13.008 -4.533 1.00 0.00 C ATOM 193 C ASP A 14 -2.286 11.614 -4.982 1.00 0.00 C ATOM 194 O ASP A 14 -3.361 11.111 -4.654 1.00 0.00 O ATOM 195 CB ASP A 14 -2.154 13.949 -5.709 1.00 0.00 C ATOM 196 CG ASP A 14 -2.122 15.409 -5.300 1.00 0.00 C ATOM 197 OD1 ASP A 14 -3.119 15.883 -4.715 1.00 0.00 O ATOM 198 OD2 ASP A 14 -1.102 16.077 -5.566 1.00 0.00 O ATOM 0 H ASP A 14 0.065 13.718 -4.689 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.479 13.298 -3.660 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -1.406 13.775 -6.482 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -3.125 13.719 -6.147 1.00 0.00 H new ATOM 203 N ASP A 15 -1.355 10.967 -5.673 1.00 0.00 N ATOM 204 CA ASP A 15 -1.550 9.608 -6.142 1.00 0.00 C ATOM 205 C ASP A 15 -1.083 8.614 -5.092 1.00 0.00 C ATOM 206 O ASP A 15 -0.816 7.458 -5.409 1.00 0.00 O ATOM 207 CB ASP A 15 -0.788 9.388 -7.449 1.00 0.00 C ATOM 208 CG ASP A 15 -1.695 9.459 -8.660 1.00 0.00 C ATOM 209 OD1 ASP A 15 -2.657 8.665 -8.728 1.00 0.00 O ATOM 210 OD2 ASP A 15 -1.445 10.309 -9.541 1.00 0.00 O ATOM 0 H ASP A 15 -0.451 11.369 -5.921 1.00 0.00 H new ATOM 0 HA ASP A 15 -2.613 9.451 -6.322 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -0.003 10.139 -7.541 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -0.297 8.415 -7.422 1.00 0.00 H new ATOM 215 N GLU A 16 -1.030 9.042 -3.834 1.00 0.00 N ATOM 216 CA GLU A 16 -0.639 8.159 -2.758 1.00 0.00 C ATOM 217 C GLU A 16 -1.877 7.758 -1.977 1.00 0.00 C ATOM 218 O GLU A 16 -2.581 8.601 -1.425 1.00 0.00 O ATOM 219 CB GLU A 16 0.384 8.832 -1.845 1.00 0.00 C ATOM 220 CG GLU A 16 1.822 8.479 -2.177 1.00 0.00 C ATOM 221 CD GLU A 16 2.788 8.925 -1.100 1.00 0.00 C ATOM 222 OE1 GLU A 16 2.657 8.451 0.047 1.00 0.00 O ATOM 223 OE2 GLU A 16 3.672 9.754 -1.399 1.00 0.00 O ATOM 0 H GLU A 16 -1.254 9.994 -3.543 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.168 7.269 -3.174 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.260 9.913 -1.910 1.00 0.00 H new ATOM 0 HB3 GLU A 16 0.179 8.549 -0.813 1.00 0.00 H new ATOM 0 HG2 GLU A 16 1.907 7.401 -2.314 1.00 0.00 H new ATOM 0 HG3 GLU A 16 2.098 8.943 -3.124 1.00 0.00 H new ATOM 230 N LEU A 17 -2.168 6.473 -1.983 1.00 0.00 N ATOM 231 CA LEU A 17 -3.345 5.960 -1.306 1.00 0.00 C ATOM 232 C LEU A 17 -3.114 5.853 0.203 1.00 0.00 C ATOM 233 O LEU A 17 -2.229 5.139 0.661 1.00 0.00 O ATOM 234 CB LEU A 17 -3.646 4.558 -1.813 1.00 0.00 C ATOM 235 CG LEU A 17 -4.978 3.986 -1.347 1.00 0.00 C ATOM 236 CD1 LEU A 17 -6.079 4.332 -2.342 1.00 0.00 C ATOM 237 CD2 LEU A 17 -4.867 2.485 -1.166 1.00 0.00 C ATOM 0 H LEU A 17 -1.605 5.762 -2.450 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.167 6.647 -1.507 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.632 4.570 -2.903 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.847 3.890 -1.491 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.236 4.430 -0.385 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -7.026 3.917 -1.996 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.167 5.415 -2.425 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.833 3.912 -3.317 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -5.825 2.087 -0.833 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.593 2.023 -2.115 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.103 2.264 -0.420 1.00 0.00 H new ATOM 249 N SER A 18 -3.972 6.510 0.968 1.00 0.00 N ATOM 250 CA SER A 18 -3.885 6.462 2.423 1.00 0.00 C ATOM 251 C SER A 18 -4.611 5.242 2.968 1.00 0.00 C ATOM 252 O SER A 18 -5.458 4.644 2.303 1.00 0.00 O ATOM 253 CB SER A 18 -4.468 7.738 3.029 1.00 0.00 C ATOM 254 OG SER A 18 -4.610 7.621 4.433 1.00 0.00 O ATOM 0 H SER A 18 -4.736 7.082 0.608 1.00 0.00 H new ATOM 0 HA SER A 18 -2.834 6.387 2.701 1.00 0.00 H new ATOM 0 HB2 SER A 18 -3.820 8.583 2.796 1.00 0.00 H new ATOM 0 HB3 SER A 18 -5.439 7.947 2.579 1.00 0.00 H new ATOM 0 HG SER A 18 -3.779 7.273 4.818 1.00 0.00 H new ATOM 260 N PHE A 19 -4.216 4.858 4.179 1.00 0.00 N ATOM 261 CA PHE A 19 -4.775 3.688 4.838 1.00 0.00 C ATOM 262 C PHE A 19 -4.518 3.704 6.341 1.00 0.00 C ATOM 263 O PHE A 19 -3.885 4.623 6.871 1.00 0.00 O ATOM 264 CB PHE A 19 -4.191 2.412 4.232 1.00 0.00 C ATOM 265 CG PHE A 19 -2.716 2.268 4.466 1.00 0.00 C ATOM 266 CD1 PHE A 19 -1.810 3.032 3.752 1.00 0.00 C ATOM 267 CD2 PHE A 19 -2.238 1.373 5.409 1.00 0.00 C ATOM 268 CE1 PHE A 19 -0.452 2.908 3.975 1.00 0.00 C ATOM 269 CE2 PHE A 19 -0.884 1.242 5.636 1.00 0.00 C ATOM 270 CZ PHE A 19 0.012 2.011 4.918 1.00 0.00 C ATOM 0 H PHE A 19 -3.506 5.346 4.725 1.00 0.00 H new ATOM 0 HA PHE A 19 -5.853 3.711 4.681 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -4.705 1.549 4.654 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -4.385 2.405 3.159 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -2.168 3.733 3.012 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -2.934 0.770 5.973 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.246 3.511 3.413 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -0.525 0.540 6.374 1.00 0.00 H new ATOM 0 HZ PHE A 19 1.073 1.911 5.094 1.00 0.00 H new ATOM 280 N ARG A 20 -5.049 2.699 7.028 1.00 0.00 N ATOM 281 CA ARG A 20 -4.905 2.588 8.470 1.00 0.00 C ATOM 282 C ARG A 20 -4.055 1.372 8.819 1.00 0.00 C ATOM 283 O ARG A 20 -3.918 0.458 8.000 1.00 0.00 O ATOM 284 CB ARG A 20 -6.283 2.474 9.129 1.00 0.00 C ATOM 285 CG ARG A 20 -6.707 3.718 9.893 1.00 0.00 C ATOM 286 CD ARG A 20 -7.856 3.415 10.842 1.00 0.00 C ATOM 287 NE ARG A 20 -9.158 3.724 10.255 1.00 0.00 N ATOM 288 CZ ARG A 20 -9.896 4.786 10.584 1.00 0.00 C ATOM 289 NH1 ARG A 20 -9.454 5.665 11.474 1.00 0.00 N ATOM 290 NH2 ARG A 20 -11.081 4.972 10.016 1.00 0.00 N ATOM 0 H ARG A 20 -5.587 1.944 6.602 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.409 3.483 8.845 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.026 2.261 8.360 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.279 1.624 9.812 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.860 4.108 10.457 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -7.008 4.495 9.190 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.826 2.361 11.120 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.728 3.990 11.759 1.00 0.00 H new ATOM 0 HE ARG A 20 -9.526 3.087 9.549 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -8.543 5.532 11.913 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -10.025 6.474 11.719 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -11.427 4.303 9.328 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -11.645 5.784 10.267 1.00 0.00 H new ATOM 304 N LYS A 21 -3.549 1.302 10.042 1.00 0.00 N ATOM 305 CA LYS A 21 -2.791 0.137 10.459 1.00 0.00 C ATOM 306 C LYS A 21 -3.701 -1.091 10.413 1.00 0.00 C ATOM 307 O LYS A 21 -4.877 -1.018 10.768 1.00 0.00 O ATOM 308 CB LYS A 21 -2.274 0.314 11.888 1.00 0.00 C ATOM 309 CG LYS A 21 -0.917 -0.315 12.127 1.00 0.00 C ATOM 310 CD LYS A 21 -0.400 0.005 13.518 1.00 0.00 C ATOM 311 CE LYS A 21 1.065 -0.365 13.665 1.00 0.00 C ATOM 312 NZ LYS A 21 1.234 -1.699 14.305 1.00 0.00 N ATOM 0 H LYS A 21 -3.649 2.028 10.752 1.00 0.00 H new ATOM 0 HA LYS A 21 -1.942 0.011 9.787 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.216 1.379 12.115 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.993 -0.121 12.582 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.987 -1.396 12.002 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.209 0.047 11.381 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -0.530 1.068 13.720 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -0.989 -0.535 14.259 1.00 0.00 H new ATOM 0 HE2 LYS A 21 1.540 -0.369 12.684 1.00 0.00 H new ATOM 0 HE3 LYS A 21 1.574 0.392 14.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 2.235 -1.978 14.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 0.926 -1.650 15.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 0.659 -2.402 13.799 1.00 0.00 H new ATOM 326 N THR A 22 -3.145 -2.217 9.979 1.00 0.00 N ATOM 327 CA THR A 22 -3.863 -3.488 9.930 1.00 0.00 C ATOM 328 C THR A 22 -4.785 -3.679 8.732 1.00 0.00 C ATOM 329 O THR A 22 -5.364 -4.759 8.591 1.00 0.00 O ATOM 330 CB THR A 22 -4.659 -3.719 11.223 1.00 0.00 C ATOM 331 OG1 THR A 22 -4.090 -3.011 12.318 1.00 0.00 O ATOM 332 CG2 THR A 22 -4.742 -5.180 11.616 1.00 0.00 C ATOM 0 H THR A 22 -2.181 -2.275 9.650 1.00 0.00 H new ATOM 0 HA THR A 22 -3.073 -4.231 9.819 1.00 0.00 H new ATOM 0 HB THR A 22 -5.662 -3.352 11.006 1.00 0.00 H new ATOM 0 HG1 THR A 22 -4.620 -3.177 13.126 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.317 -5.277 12.537 1.00 0.00 H new ATOM 0 HG22 THR A 22 -5.232 -5.743 10.822 1.00 0.00 H new ATOM 0 HG23 THR A 22 -3.737 -5.572 11.772 1.00 0.00 H new ATOM 340 N GLN A 23 -4.947 -2.685 7.857 1.00 0.00 N ATOM 341 CA GLN A 23 -5.819 -2.914 6.715 1.00 0.00 C ATOM 342 C GLN A 23 -5.071 -3.629 5.594 1.00 0.00 C ATOM 343 O GLN A 23 -3.899 -3.352 5.345 1.00 0.00 O ATOM 344 CB GLN A 23 -6.533 -1.660 6.202 1.00 0.00 C ATOM 345 CG GLN A 23 -5.611 -0.684 5.494 1.00 0.00 C ATOM 346 CD GLN A 23 -6.338 0.162 4.470 1.00 0.00 C ATOM 347 OE1 GLN A 23 -6.022 0.119 3.284 1.00 0.00 O ATOM 348 NE2 GLN A 23 -7.310 0.944 4.925 1.00 0.00 N ATOM 0 H GLN A 23 -4.511 -1.764 7.912 1.00 0.00 H new ATOM 0 HA GLN A 23 -6.616 -3.563 7.079 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -7.327 -1.958 5.518 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -7.009 -1.154 7.042 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -5.142 -0.033 6.231 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -4.811 -1.237 5.002 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -7.539 0.947 5.919 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -7.828 1.541 4.280 1.00 0.00 H new ATOM 357 N ILE A 24 -5.747 -4.571 4.939 1.00 0.00 N ATOM 358 CA ILE A 24 -5.124 -5.344 3.867 1.00 0.00 C ATOM 359 C ILE A 24 -5.099 -4.546 2.569 1.00 0.00 C ATOM 360 O ILE A 24 -6.133 -4.079 2.091 1.00 0.00 O ATOM 361 CB ILE A 24 -5.841 -6.695 3.636 1.00 0.00 C ATOM 362 CG1 ILE A 24 -7.352 -6.499 3.478 1.00 0.00 C ATOM 363 CG2 ILE A 24 -5.544 -7.667 4.768 1.00 0.00 C ATOM 364 CD1 ILE A 24 -7.818 -6.575 2.043 1.00 0.00 C ATOM 0 H ILE A 24 -6.719 -4.816 5.130 1.00 0.00 H new ATOM 0 HA ILE A 24 -4.101 -5.554 4.180 1.00 0.00 H new ATOM 0 HB ILE A 24 -5.457 -7.120 2.709 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -7.873 -7.258 4.062 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -7.631 -5.530 3.892 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -6.059 -8.610 4.583 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.470 -7.845 4.822 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -5.890 -7.244 5.711 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -8.897 -6.428 2.003 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -7.324 -5.799 1.458 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -7.570 -7.553 1.631 1.00 0.00 H new ATOM 376 N LEU A 25 -3.895 -4.366 2.026 1.00 0.00 N ATOM 377 CA LEU A 25 -3.705 -3.590 0.803 1.00 0.00 C ATOM 378 C LEU A 25 -3.360 -4.458 -0.406 1.00 0.00 C ATOM 379 O LEU A 25 -2.662 -5.461 -0.276 1.00 0.00 O ATOM 380 CB LEU A 25 -2.596 -2.557 1.001 1.00 0.00 C ATOM 381 CG LEU A 25 -1.191 -3.146 1.126 1.00 0.00 C ATOM 382 CD1 LEU A 25 -0.171 -2.269 0.408 1.00 0.00 C ATOM 383 CD2 LEU A 25 -0.829 -3.301 2.587 1.00 0.00 C ATOM 0 H LEU A 25 -3.034 -4.749 2.417 1.00 0.00 H new ATOM 0 HA LEU A 25 -4.657 -3.099 0.600 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.611 -1.862 0.161 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.814 -1.977 1.898 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.178 -4.128 0.653 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.822 -2.707 0.510 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.430 -2.200 -0.648 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.174 -1.272 0.848 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.173 -3.721 2.671 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.856 -2.326 3.074 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.543 -3.968 3.070 1.00 0.00 H new ATOM 395 N LYS A 26 -3.844 -4.054 -1.578 1.00 0.00 N ATOM 396 CA LYS A 26 -3.605 -4.744 -2.850 1.00 0.00 C ATOM 397 C LYS A 26 -2.289 -4.265 -3.474 1.00 0.00 C ATOM 398 O LYS A 26 -1.976 -3.081 -3.419 1.00 0.00 O ATOM 399 CB LYS A 26 -4.744 -4.389 -3.809 1.00 0.00 C ATOM 400 CG LYS A 26 -5.638 -5.565 -4.155 1.00 0.00 C ATOM 401 CD LYS A 26 -4.932 -6.542 -5.083 1.00 0.00 C ATOM 402 CE LYS A 26 -4.536 -7.814 -4.355 1.00 0.00 C ATOM 403 NZ LYS A 26 -4.912 -9.028 -5.125 1.00 0.00 N ATOM 0 H LYS A 26 -4.425 -3.222 -1.676 1.00 0.00 H new ATOM 0 HA LYS A 26 -3.553 -5.818 -2.674 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -5.351 -3.601 -3.363 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -4.321 -3.983 -4.728 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -5.936 -6.079 -3.241 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -6.550 -5.204 -4.630 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -5.586 -6.789 -5.919 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -4.043 -6.070 -5.502 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -3.460 -7.813 -4.180 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -5.018 -7.839 -3.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -4.672 -9.877 -4.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -5.934 -9.016 -5.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -4.393 -9.042 -6.026 1.00 0.00 H new ATOM 417 N ILE A 27 -1.474 -5.197 -3.962 1.00 0.00 N ATOM 418 CA ILE A 27 -0.169 -4.841 -4.533 1.00 0.00 C ATOM 419 C ILE A 27 -0.122 -5.176 -6.018 1.00 0.00 C ATOM 420 O ILE A 27 -0.672 -6.200 -6.427 1.00 0.00 O ATOM 421 CB ILE A 27 0.976 -5.565 -3.811 1.00 0.00 C ATOM 422 CG1 ILE A 27 0.728 -7.075 -3.820 1.00 0.00 C ATOM 423 CG2 ILE A 27 1.104 -5.043 -2.391 1.00 0.00 C ATOM 424 CD1 ILE A 27 1.914 -7.890 -3.354 1.00 0.00 C ATOM 0 H ILE A 27 -1.687 -6.194 -3.976 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.040 -3.767 -4.400 1.00 0.00 H new ATOM 0 HB ILE A 27 1.913 -5.370 -4.333 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.127 -7.297 -3.182 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.461 -7.384 -4.831 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.918 -5.561 -1.885 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.313 -3.974 -2.414 1.00 0.00 H new ATOM 0 HG23 ILE A 27 0.172 -5.219 -1.853 1.00 0.00 H new ATOM 0 HD11 ILE A 27 1.663 -8.950 -3.388 1.00 0.00 H new ATOM 0 HD12 ILE A 27 2.766 -7.698 -4.006 1.00 0.00 H new ATOM 0 HD13 ILE A 27 2.169 -7.610 -2.332 1.00 0.00 H new ATOM 436 N LEU A 28 0.438 -4.294 -6.856 1.00 0.00 N ATOM 437 CA LEU A 28 0.412 -4.567 -8.292 1.00 0.00 C ATOM 438 C LEU A 28 1.659 -4.169 -9.089 1.00 0.00 C ATOM 439 O LEU A 28 1.919 -4.790 -10.121 1.00 0.00 O ATOM 440 CB LEU A 28 -0.781 -3.853 -8.934 1.00 0.00 C ATOM 441 CG LEU A 28 -2.112 -3.957 -8.185 1.00 0.00 C ATOM 442 CD1 LEU A 28 -2.756 -2.586 -8.064 1.00 0.00 C ATOM 443 CD2 LEU A 28 -3.053 -4.924 -8.894 1.00 0.00 C ATOM 0 H LEU A 28 0.894 -3.425 -6.579 1.00 0.00 H new ATOM 0 HA LEU A 28 0.350 -5.654 -8.343 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.531 -2.798 -9.043 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.920 -4.253 -9.938 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.916 -4.341 -7.184 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.702 -2.674 -7.529 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.091 -1.918 -7.517 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.938 -2.181 -9.059 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.993 -4.984 -8.346 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.245 -4.569 -9.906 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.595 -5.912 -8.937 1.00 0.00 H new ATOM 455 N ASN A 29 2.437 -3.159 -8.683 1.00 0.00 N ATOM 456 CA ASN A 29 3.596 -2.822 -9.516 1.00 0.00 C ATOM 457 C ASN A 29 4.800 -2.190 -8.829 1.00 0.00 C ATOM 458 O ASN A 29 4.762 -1.065 -8.336 1.00 0.00 O ATOM 459 CB ASN A 29 3.175 -1.922 -10.686 1.00 0.00 C ATOM 460 CG ASN A 29 2.889 -0.480 -10.310 1.00 0.00 C ATOM 461 OD1 ASN A 29 1.734 -0.084 -10.163 1.00 0.00 O ATOM 462 ND2 ASN A 29 3.941 0.316 -10.182 1.00 0.00 N ATOM 0 H ASN A 29 2.302 -2.595 -7.844 1.00 0.00 H new ATOM 0 HA ASN A 29 3.944 -3.802 -9.842 1.00 0.00 H new ATOM 0 HB2 ASN A 29 3.963 -1.937 -11.439 1.00 0.00 H new ATOM 0 HB3 ASN A 29 2.284 -2.345 -11.149 1.00 0.00 H new ATOM 0 HD21 ASN A 29 3.810 1.301 -9.952 1.00 0.00 H new ATOM 0 HD22 ASN A 29 4.881 -0.057 -10.313 1.00 0.00 H new ATOM 469 N MET A 30 5.913 -2.889 -9.014 1.00 0.00 N ATOM 470 CA MET A 30 7.194 -2.412 -8.625 1.00 0.00 C ATOM 471 C MET A 30 7.886 -2.061 -9.922 1.00 0.00 C ATOM 472 O MET A 30 7.850 -2.804 -10.902 1.00 0.00 O ATOM 473 CB MET A 30 8.032 -3.423 -7.832 1.00 0.00 C ATOM 474 CG MET A 30 7.208 -4.333 -6.936 1.00 0.00 C ATOM 475 SD MET A 30 6.511 -5.734 -7.832 1.00 0.00 S ATOM 476 CE MET A 30 7.421 -7.091 -7.097 1.00 0.00 C ATOM 0 H MET A 30 5.930 -3.813 -9.446 1.00 0.00 H new ATOM 0 HA MET A 30 7.080 -1.568 -7.944 1.00 0.00 H new ATOM 0 HB2 MET A 30 8.602 -4.036 -8.530 1.00 0.00 H new ATOM 0 HB3 MET A 30 8.754 -2.882 -7.220 1.00 0.00 H new ATOM 0 HG2 MET A 30 7.834 -4.701 -6.123 1.00 0.00 H new ATOM 0 HG3 MET A 30 6.401 -3.758 -6.482 1.00 0.00 H new ATOM 0 HE1 MET A 30 7.101 -8.030 -7.548 1.00 0.00 H new ATOM 0 HE2 MET A 30 8.488 -6.950 -7.270 1.00 0.00 H new ATOM 0 HE3 MET A 30 7.228 -7.120 -6.025 1.00 0.00 H new ATOM 486 N GLU A 31 8.440 -0.896 -9.916 1.00 0.00 N ATOM 487 CA GLU A 31 9.070 -0.364 -11.108 1.00 0.00 C ATOM 488 C GLU A 31 9.949 0.796 -10.772 1.00 0.00 C ATOM 489 O GLU A 31 11.134 0.827 -11.102 1.00 0.00 O ATOM 490 CB GLU A 31 8.006 0.198 -12.069 1.00 0.00 C ATOM 491 CG GLU A 31 6.766 0.747 -11.387 1.00 0.00 C ATOM 492 CD GLU A 31 5.678 1.122 -12.376 1.00 0.00 C ATOM 493 OE1 GLU A 31 5.200 0.227 -13.103 1.00 0.00 O ATOM 494 OE2 GLU A 31 5.307 2.314 -12.423 1.00 0.00 O ATOM 0 H GLU A 31 8.477 -0.281 -9.103 1.00 0.00 H new ATOM 0 HA GLU A 31 9.637 -1.181 -11.555 1.00 0.00 H new ATOM 0 HB2 GLU A 31 8.457 0.990 -12.666 1.00 0.00 H new ATOM 0 HB3 GLU A 31 7.706 -0.590 -12.759 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.379 0.003 -10.690 1.00 0.00 H new ATOM 0 HG3 GLU A 31 7.037 1.624 -10.799 1.00 0.00 H new ATOM 501 N ASP A 32 9.339 1.767 -10.123 1.00 0.00 N ATOM 502 CA ASP A 32 10.033 2.957 -9.768 1.00 0.00 C ATOM 503 C ASP A 32 11.070 2.689 -8.717 1.00 0.00 C ATOM 504 O ASP A 32 12.203 3.155 -8.858 1.00 0.00 O ATOM 505 CB ASP A 32 9.044 3.999 -9.241 1.00 0.00 C ATOM 506 CG ASP A 32 9.533 5.416 -9.463 1.00 0.00 C ATOM 507 OD1 ASP A 32 10.324 5.629 -10.404 1.00 0.00 O ATOM 508 OD2 ASP A 32 9.128 6.312 -8.692 1.00 0.00 O ATOM 0 H ASP A 32 8.360 1.741 -9.836 1.00 0.00 H new ATOM 0 HA ASP A 32 10.531 3.333 -10.662 1.00 0.00 H new ATOM 0 HB2 ASP A 32 8.082 3.867 -9.736 1.00 0.00 H new ATOM 0 HB3 ASP A 32 8.880 3.836 -8.176 1.00 0.00 H new ATOM 513 N ASP A 33 10.744 1.942 -7.656 1.00 0.00 N ATOM 514 CA ASP A 33 11.756 1.745 -6.639 1.00 0.00 C ATOM 515 C ASP A 33 11.361 0.742 -5.569 1.00 0.00 C ATOM 516 O ASP A 33 10.185 0.544 -5.266 1.00 0.00 O ATOM 517 CB ASP A 33 11.979 3.128 -6.017 1.00 0.00 C ATOM 518 CG ASP A 33 13.369 3.665 -6.286 1.00 0.00 C ATOM 519 OD1 ASP A 33 14.342 3.075 -5.771 1.00 0.00 O ATOM 520 OD2 ASP A 33 13.485 4.676 -7.009 1.00 0.00 O ATOM 0 H ASP A 33 9.843 1.493 -7.492 1.00 0.00 H new ATOM 0 HA ASP A 33 12.656 1.327 -7.090 1.00 0.00 H new ATOM 0 HB2 ASP A 33 11.240 3.825 -6.413 1.00 0.00 H new ATOM 0 HB3 ASP A 33 11.817 3.070 -4.941 1.00 0.00 H new ATOM 525 N SER A 34 12.383 0.155 -4.980 1.00 0.00 N ATOM 526 CA SER A 34 12.243 -0.803 -3.897 1.00 0.00 C ATOM 527 C SER A 34 11.718 -0.106 -2.640 1.00 0.00 C ATOM 528 O SER A 34 12.191 -0.410 -1.543 1.00 0.00 O ATOM 529 CB SER A 34 13.623 -1.397 -3.594 1.00 0.00 C ATOM 530 OG SER A 34 14.611 -0.385 -3.507 1.00 0.00 O ATOM 0 H SER A 34 13.352 0.332 -5.244 1.00 0.00 H new ATOM 0 HA SER A 34 11.541 -1.584 -4.191 1.00 0.00 H new ATOM 0 HB2 SER A 34 13.585 -1.952 -2.657 1.00 0.00 H new ATOM 0 HB3 SER A 34 13.895 -2.108 -4.375 1.00 0.00 H new ATOM 0 HG SER A 34 15.480 -0.793 -3.311 1.00 0.00 H new ATOM 536 N ASN A 35 10.855 0.914 -2.767 1.00 0.00 N ATOM 537 CA ASN A 35 10.447 1.662 -1.573 1.00 0.00 C ATOM 538 C ASN A 35 9.011 2.178 -1.620 1.00 0.00 C ATOM 539 O ASN A 35 8.370 2.361 -0.583 1.00 0.00 O ATOM 540 CB ASN A 35 11.385 2.859 -1.412 1.00 0.00 C ATOM 541 CG ASN A 35 11.738 3.146 0.032 1.00 0.00 C ATOM 542 OD1 ASN A 35 12.913 3.197 0.394 1.00 0.00 O ATOM 543 ND2 ASN A 35 10.722 3.343 0.861 1.00 0.00 N ATOM 0 H ASN A 35 10.442 1.229 -3.645 1.00 0.00 H new ATOM 0 HA ASN A 35 10.503 0.969 -0.734 1.00 0.00 H new ATOM 0 HB2 ASN A 35 12.301 2.674 -1.974 1.00 0.00 H new ATOM 0 HB3 ASN A 35 10.917 3.741 -1.848 1.00 0.00 H new ATOM 0 HD21 ASN A 35 10.899 3.547 1.845 1.00 0.00 H new ATOM 0 HD22 ASN A 35 9.764 3.291 0.515 1.00 0.00 H new ATOM 550 N TRP A 36 8.516 2.441 -2.815 1.00 0.00 N ATOM 551 CA TRP A 36 7.167 2.950 -2.973 1.00 0.00 C ATOM 552 C TRP A 36 6.386 2.055 -3.913 1.00 0.00 C ATOM 553 O TRP A 36 6.784 1.824 -5.054 1.00 0.00 O ATOM 554 CB TRP A 36 7.225 4.395 -3.453 1.00 0.00 C ATOM 555 CG TRP A 36 7.839 5.285 -2.419 1.00 0.00 C ATOM 556 CD1 TRP A 36 9.099 5.809 -2.428 1.00 0.00 C ATOM 557 CD2 TRP A 36 7.231 5.721 -1.198 1.00 0.00 C ATOM 558 NE1 TRP A 36 9.310 6.547 -1.289 1.00 0.00 N ATOM 559 CE2 TRP A 36 8.177 6.510 -0.519 1.00 0.00 C ATOM 560 CE3 TRP A 36 5.975 5.524 -0.616 1.00 0.00 C ATOM 561 CZ2 TRP A 36 7.907 7.097 0.715 1.00 0.00 C ATOM 562 CZ3 TRP A 36 5.709 6.109 0.610 1.00 0.00 C ATOM 563 CH2 TRP A 36 6.672 6.885 1.264 1.00 0.00 C ATOM 0 H TRP A 36 9.027 2.311 -3.688 1.00 0.00 H new ATOM 0 HA TRP A 36 6.644 2.942 -2.017 1.00 0.00 H new ATOM 0 HB2 TRP A 36 7.804 4.452 -4.375 1.00 0.00 H new ATOM 0 HB3 TRP A 36 6.219 4.744 -3.686 1.00 0.00 H new ATOM 0 HD1 TRP A 36 9.824 5.665 -3.215 1.00 0.00 H new ATOM 0 HE1 TRP A 36 10.170 7.042 -1.054 1.00 0.00 H new ATOM 0 HE3 TRP A 36 5.226 4.926 -1.114 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 8.647 7.699 1.221 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 4.742 5.964 1.069 1.00 0.00 H new ATOM 0 HH2 TRP A 36 6.436 7.325 2.221 1.00 0.00 H new ATOM 574 N TYR A 37 5.326 1.466 -3.377 1.00 0.00 N ATOM 575 CA TYR A 37 4.520 0.503 -4.112 1.00 0.00 C ATOM 576 C TYR A 37 3.206 1.091 -4.594 1.00 0.00 C ATOM 577 O TYR A 37 2.751 2.116 -4.091 1.00 0.00 O ATOM 578 CB TYR A 37 4.232 -0.728 -3.248 1.00 0.00 C ATOM 579 CG TYR A 37 5.346 -1.759 -3.207 1.00 0.00 C ATOM 580 CD1 TYR A 37 6.327 -1.823 -4.195 1.00 0.00 C ATOM 581 CD2 TYR A 37 5.409 -2.679 -2.168 1.00 0.00 C ATOM 582 CE1 TYR A 37 7.332 -2.772 -4.143 1.00 0.00 C ATOM 583 CE2 TYR A 37 6.410 -3.630 -2.110 1.00 0.00 C ATOM 584 CZ TYR A 37 7.369 -3.672 -3.099 1.00 0.00 C ATOM 585 OH TYR A 37 8.369 -4.618 -3.046 1.00 0.00 O ATOM 0 H TYR A 37 5.002 1.641 -2.426 1.00 0.00 H new ATOM 0 HA TYR A 37 5.102 0.217 -4.988 1.00 0.00 H new ATOM 0 HB2 TYR A 37 4.025 -0.398 -2.230 1.00 0.00 H new ATOM 0 HB3 TYR A 37 3.326 -1.209 -3.618 1.00 0.00 H new ATOM 0 HD1 TYR A 37 6.302 -1.120 -5.015 1.00 0.00 H new ATOM 0 HD2 TYR A 37 4.661 -2.650 -1.390 1.00 0.00 H new ATOM 0 HE1 TYR A 37 8.085 -2.808 -4.917 1.00 0.00 H new ATOM 0 HE2 TYR A 37 6.441 -4.337 -1.294 1.00 0.00 H new ATOM 0 HH TYR A 37 8.252 -5.174 -2.247 1.00 0.00 H new ATOM 595 N ARG A 38 2.661 0.499 -5.646 1.00 0.00 N ATOM 596 CA ARG A 38 1.405 0.958 -6.212 1.00 0.00 C ATOM 597 C ARG A 38 0.355 -0.044 -5.772 1.00 0.00 C ATOM 598 O ARG A 38 0.330 -1.183 -6.244 1.00 0.00 O ATOM 599 CB ARG A 38 1.477 1.061 -7.728 1.00 0.00 C ATOM 600 CG ARG A 38 1.864 2.445 -8.202 1.00 0.00 C ATOM 601 CD ARG A 38 0.648 3.332 -8.400 1.00 0.00 C ATOM 602 NE ARG A 38 0.698 4.019 -9.684 1.00 0.00 N ATOM 603 CZ ARG A 38 0.004 5.115 -9.978 1.00 0.00 C ATOM 604 NH1 ARG A 38 -0.802 5.662 -9.081 1.00 0.00 N ATOM 605 NH2 ARG A 38 0.122 5.664 -11.178 1.00 0.00 N ATOM 0 H ARG A 38 3.072 -0.303 -6.125 1.00 0.00 H new ATOM 0 HA ARG A 38 1.162 1.961 -5.862 1.00 0.00 H new ATOM 0 HB2 ARG A 38 2.201 0.337 -8.103 1.00 0.00 H new ATOM 0 HB3 ARG A 38 0.509 0.793 -8.153 1.00 0.00 H new ATOM 0 HG2 ARG A 38 2.535 2.904 -7.476 1.00 0.00 H new ATOM 0 HG3 ARG A 38 2.414 2.368 -9.140 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -0.258 2.729 -8.343 1.00 0.00 H new ATOM 0 HD3 ARG A 38 0.595 4.065 -7.595 1.00 0.00 H new ATOM 0 HE ARG A 38 1.306 3.633 -10.406 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -0.895 5.243 -8.156 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -1.330 6.502 -9.315 1.00 0.00 H new ATOM 0 HH21 ARG A 38 0.743 5.246 -11.871 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -0.408 6.504 -11.409 1.00 0.00 H new ATOM 619 N ALA A 39 -0.486 0.370 -4.840 1.00 0.00 N ATOM 620 CA ALA A 39 -1.514 -0.511 -4.303 1.00 0.00 C ATOM 621 C ALA A 39 -2.923 -0.070 -4.677 1.00 0.00 C ATOM 622 O ALA A 39 -3.187 1.101 -4.948 1.00 0.00 O ATOM 623 CB ALA A 39 -1.376 -0.590 -2.792 1.00 0.00 C ATOM 0 H ALA A 39 -0.479 1.308 -4.439 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.364 -1.495 -4.747 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -2.145 -1.249 -2.390 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -0.392 -0.983 -2.537 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.492 0.406 -2.364 1.00 0.00 H new ATOM 629 N GLU A 40 -3.814 -1.057 -4.668 1.00 0.00 N ATOM 630 CA GLU A 40 -5.217 -0.830 -4.989 1.00 0.00 C ATOM 631 C GLU A 40 -6.071 -0.952 -3.736 1.00 0.00 C ATOM 632 O GLU A 40 -5.712 -1.677 -2.801 1.00 0.00 O ATOM 633 CB GLU A 40 -5.702 -1.823 -6.050 1.00 0.00 C ATOM 634 CG GLU A 40 -6.483 -1.176 -7.183 1.00 0.00 C ATOM 635 CD GLU A 40 -6.755 -2.135 -8.326 1.00 0.00 C ATOM 636 OE1 GLU A 40 -7.306 -3.225 -8.067 1.00 0.00 O ATOM 637 OE2 GLU A 40 -6.417 -1.795 -9.480 1.00 0.00 O ATOM 0 H GLU A 40 -3.587 -2.025 -4.441 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.314 0.179 -5.390 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.841 -2.345 -6.467 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.330 -2.575 -5.571 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.430 -0.798 -6.797 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -5.927 -0.317 -7.559 1.00 0.00 H new ATOM 644 N LEU A 41 -7.139 -0.167 -3.669 1.00 0.00 N ATOM 645 CA LEU A 41 -7.978 -0.168 -2.480 1.00 0.00 C ATOM 646 C LEU A 41 -9.388 0.357 -2.749 1.00 0.00 C ATOM 647 O LEU A 41 -9.610 1.562 -2.872 1.00 0.00 O ATOM 648 CB LEU A 41 -7.314 0.677 -1.402 1.00 0.00 C ATOM 649 CG LEU A 41 -7.600 0.261 0.036 1.00 0.00 C ATOM 650 CD1 LEU A 41 -6.565 -0.750 0.508 1.00 0.00 C ATOM 651 CD2 LEU A 41 -7.621 1.483 0.943 1.00 0.00 C ATOM 0 H LEU A 41 -7.440 0.467 -4.409 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.082 -1.202 -2.152 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.236 0.652 -1.560 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -7.631 1.712 -1.531 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.581 -0.212 0.079 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -6.781 -1.039 1.537 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.600 -1.632 -0.131 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.572 -0.304 0.457 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -7.826 1.172 1.967 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.653 1.983 0.902 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -8.399 2.170 0.610 1.00 0.00 H new ATOM 663 N ASP A 42 -10.329 -0.581 -2.831 1.00 0.00 N ATOM 664 CA ASP A 42 -11.736 -0.264 -3.072 1.00 0.00 C ATOM 665 C ASP A 42 -11.965 0.215 -4.502 1.00 0.00 C ATOM 666 O ASP A 42 -12.518 -0.511 -5.328 1.00 0.00 O ATOM 667 CB ASP A 42 -12.232 0.794 -2.083 1.00 0.00 C ATOM 668 CG ASP A 42 -13.742 0.935 -2.102 1.00 0.00 C ATOM 669 OD1 ASP A 42 -14.435 -0.100 -2.192 1.00 0.00 O ATOM 670 OD2 ASP A 42 -14.232 2.082 -2.028 1.00 0.00 O ATOM 0 H ASP A 42 -10.140 -1.578 -2.733 1.00 0.00 H new ATOM 0 HA ASP A 42 -12.304 -1.182 -2.925 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -11.906 0.529 -1.077 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -11.776 1.755 -2.323 1.00 0.00 H new ATOM 675 N GLY A 43 -11.550 1.445 -4.782 1.00 0.00 N ATOM 676 CA GLY A 43 -11.733 1.996 -6.110 1.00 0.00 C ATOM 677 C GLY A 43 -10.620 2.940 -6.521 1.00 0.00 C ATOM 678 O GLY A 43 -10.762 3.652 -7.516 1.00 0.00 O ATOM 0 H GLY A 43 -11.092 2.067 -4.116 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -11.794 1.180 -6.830 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -12.684 2.527 -6.149 1.00 0.00 H new ATOM 682 N LYS A 44 -9.548 3.025 -5.733 1.00 0.00 N ATOM 683 CA LYS A 44 -8.474 3.960 -6.054 1.00 0.00 C ATOM 684 C LYS A 44 -7.124 3.257 -6.156 1.00 0.00 C ATOM 685 O LYS A 44 -6.704 2.542 -5.245 1.00 0.00 O ATOM 686 CB LYS A 44 -8.413 5.078 -5.006 1.00 0.00 C ATOM 687 CG LYS A 44 -7.253 6.046 -5.197 1.00 0.00 C ATOM 688 CD LYS A 44 -7.562 7.078 -6.271 1.00 0.00 C ATOM 689 CE LYS A 44 -7.052 8.462 -5.890 1.00 0.00 C ATOM 690 NZ LYS A 44 -5.643 8.435 -5.403 1.00 0.00 N ATOM 0 H LYS A 44 -9.403 2.472 -4.888 1.00 0.00 H new ATOM 0 HA LYS A 44 -8.694 4.394 -7.029 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -9.348 5.638 -5.033 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -8.339 4.629 -4.015 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -7.040 6.552 -4.255 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -6.356 5.491 -5.471 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -7.108 6.770 -7.213 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -8.639 7.120 -6.435 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -7.122 9.123 -6.754 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -7.693 8.882 -5.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -5.215 9.375 -5.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -5.629 8.177 -4.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -5.101 7.734 -5.948 1.00 0.00 H new ATOM 704 N GLU A 45 -6.433 3.529 -7.259 1.00 0.00 N ATOM 705 CA GLU A 45 -5.105 2.985 -7.511 1.00 0.00 C ATOM 706 C GLU A 45 -4.056 4.034 -7.152 1.00 0.00 C ATOM 707 O GLU A 45 -4.027 5.093 -7.781 1.00 0.00 O ATOM 708 CB GLU A 45 -4.982 2.583 -8.983 1.00 0.00 C ATOM 709 CG GLU A 45 -3.764 1.732 -9.307 1.00 0.00 C ATOM 710 CD GLU A 45 -3.364 1.841 -10.767 1.00 0.00 C ATOM 711 OE1 GLU A 45 -3.262 2.979 -11.270 1.00 0.00 O ATOM 712 OE2 GLU A 45 -3.161 0.787 -11.407 1.00 0.00 O ATOM 0 H GLU A 45 -6.780 4.134 -8.004 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.945 2.099 -6.897 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -5.879 2.036 -9.273 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -4.950 3.487 -9.591 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -2.929 2.041 -8.679 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -3.976 0.690 -9.066 1.00 0.00 H new ATOM 719 N GLY A 46 -3.217 3.799 -6.150 1.00 0.00 N ATOM 720 CA GLY A 46 -2.253 4.833 -5.809 1.00 0.00 C ATOM 721 C GLY A 46 -1.048 4.360 -5.032 1.00 0.00 C ATOM 722 O GLY A 46 -1.104 3.361 -4.315 1.00 0.00 O ATOM 0 H GLY A 46 -3.183 2.949 -5.587 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -1.909 5.304 -6.730 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.761 5.603 -5.228 1.00 0.00 H new ATOM 726 N LEU A 47 0.045 5.108 -5.162 1.00 0.00 N ATOM 727 CA LEU A 47 1.300 4.824 -4.489 1.00 0.00 C ATOM 728 C LEU A 47 1.147 4.869 -2.973 1.00 0.00 C ATOM 729 O LEU A 47 0.335 5.622 -2.444 1.00 0.00 O ATOM 730 CB LEU A 47 2.340 5.861 -4.908 1.00 0.00 C ATOM 731 CG LEU A 47 3.772 5.343 -5.009 1.00 0.00 C ATOM 732 CD1 LEU A 47 4.109 4.996 -6.450 1.00 0.00 C ATOM 733 CD2 LEU A 47 4.744 6.379 -4.466 1.00 0.00 C ATOM 0 H LEU A 47 0.079 5.942 -5.749 1.00 0.00 H new ATOM 0 HA LEU A 47 1.615 3.820 -4.774 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.050 6.272 -5.875 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.318 6.683 -4.193 1.00 0.00 H new ATOM 0 HG LEU A 47 3.861 4.437 -4.409 1.00 0.00 H new ATOM 0 HD11 LEU A 47 5.134 4.628 -6.506 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.427 4.225 -6.808 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.009 5.886 -7.071 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.762 5.998 -4.543 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.656 7.299 -5.044 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.511 6.584 -3.421 1.00 0.00 H new ATOM 745 N ILE A 48 1.930 4.068 -2.279 1.00 0.00 N ATOM 746 CA ILE A 48 1.868 4.048 -0.824 1.00 0.00 C ATOM 747 C ILE A 48 3.218 3.710 -0.204 1.00 0.00 C ATOM 748 O ILE A 48 4.079 3.120 -0.869 1.00 0.00 O ATOM 749 CB ILE A 48 0.826 3.025 -0.316 1.00 0.00 C ATOM 750 CG1 ILE A 48 1.199 1.602 -0.743 1.00 0.00 C ATOM 751 CG2 ILE A 48 -0.567 3.392 -0.790 1.00 0.00 C ATOM 752 CD1 ILE A 48 1.034 1.337 -2.217 1.00 0.00 C ATOM 0 H ILE A 48 2.610 3.428 -2.689 1.00 0.00 H new ATOM 0 HA ILE A 48 1.574 5.052 -0.520 1.00 0.00 H new ATOM 0 HB ILE A 48 0.827 3.055 0.774 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.235 1.411 -0.465 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.584 0.895 -0.187 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.282 2.658 -0.420 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.832 4.379 -0.412 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -0.589 3.403 -1.880 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.319 0.308 -2.436 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.007 1.493 -2.501 1.00 0.00 H new ATOM 0 HD13 ILE A 48 1.670 2.018 -2.783 1.00 0.00 H new ATOM 764 N PRO A 49 3.339 3.877 1.131 1.00 0.00 N ATOM 765 CA PRO A 49 4.549 3.507 1.856 1.00 0.00 C ATOM 766 C PRO A 49 4.792 2.001 1.842 1.00 0.00 C ATOM 767 O PRO A 49 3.915 1.227 2.223 1.00 0.00 O ATOM 768 CB PRO A 49 4.283 3.978 3.287 1.00 0.00 C ATOM 769 CG PRO A 49 2.802 3.999 3.403 1.00 0.00 C ATOM 770 CD PRO A 49 2.282 4.365 2.043 1.00 0.00 C ATOM 0 HA PRO A 49 5.435 3.954 1.406 1.00 0.00 H new ATOM 0 HB2 PRO A 49 4.729 3.302 4.017 1.00 0.00 H new ATOM 0 HB3 PRO A 49 4.709 4.965 3.465 1.00 0.00 H new ATOM 0 HG2 PRO A 49 2.422 3.027 3.717 1.00 0.00 H new ATOM 0 HG3 PRO A 49 2.480 4.723 4.151 1.00 0.00 H new ATOM 0 HD2 PRO A 49 1.323 3.889 1.838 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.132 5.440 1.946 1.00 0.00 H new ATOM 778 N SER A 50 5.946 1.577 1.330 1.00 0.00 N ATOM 779 CA SER A 50 6.260 0.150 1.271 1.00 0.00 C ATOM 780 C SER A 50 6.672 -0.363 2.652 1.00 0.00 C ATOM 781 O SER A 50 6.396 -1.507 3.013 1.00 0.00 O ATOM 782 CB SER A 50 7.358 -0.142 0.247 1.00 0.00 C ATOM 783 OG SER A 50 6.809 -0.452 -1.020 1.00 0.00 O ATOM 0 H SER A 50 6.670 2.190 0.955 1.00 0.00 H new ATOM 0 HA SER A 50 5.359 -0.374 0.952 1.00 0.00 H new ATOM 0 HB2 SER A 50 8.016 0.723 0.159 1.00 0.00 H new ATOM 0 HB3 SER A 50 7.970 -0.974 0.594 1.00 0.00 H new ATOM 0 HG SER A 50 6.534 -1.393 -1.036 1.00 0.00 H new ATOM 789 N ASN A 51 7.366 0.487 3.401 1.00 0.00 N ATOM 790 CA ASN A 51 7.867 0.107 4.726 1.00 0.00 C ATOM 791 C ASN A 51 6.761 -0.013 5.776 1.00 0.00 C ATOM 792 O ASN A 51 6.999 -0.516 6.875 1.00 0.00 O ATOM 793 CB ASN A 51 8.893 1.144 5.183 1.00 0.00 C ATOM 794 CG ASN A 51 10.018 1.319 4.185 1.00 0.00 C ATOM 795 OD1 ASN A 51 9.870 1.010 3.002 1.00 0.00 O ATOM 796 ND2 ASN A 51 11.156 1.817 4.655 1.00 0.00 N ATOM 0 H ASN A 51 7.596 1.440 3.119 1.00 0.00 H new ATOM 0 HA ASN A 51 8.319 -0.880 4.632 1.00 0.00 H new ATOM 0 HB2 ASN A 51 8.395 2.101 5.337 1.00 0.00 H new ATOM 0 HB3 ASN A 51 9.307 0.842 6.145 1.00 0.00 H new ATOM 0 HD21 ASN A 51 11.949 1.956 4.029 1.00 0.00 H new ATOM 0 HD22 ASN A 51 11.237 2.060 5.642 1.00 0.00 H new ATOM 803 N TYR A 52 5.556 0.422 5.435 1.00 0.00 N ATOM 804 CA TYR A 52 4.426 0.343 6.356 1.00 0.00 C ATOM 805 C TYR A 52 3.579 -0.909 6.088 1.00 0.00 C ATOM 806 O TYR A 52 2.611 -1.201 6.817 1.00 0.00 O ATOM 807 CB TYR A 52 3.572 1.604 6.210 1.00 0.00 C ATOM 808 CG TYR A 52 4.217 2.848 6.794 1.00 0.00 C ATOM 809 CD1 TYR A 52 5.600 3.018 6.790 1.00 0.00 C ATOM 810 CD2 TYR A 52 3.441 3.855 7.351 1.00 0.00 C ATOM 811 CE1 TYR A 52 6.183 4.150 7.320 1.00 0.00 C ATOM 812 CE2 TYR A 52 4.021 4.992 7.884 1.00 0.00 C ATOM 813 CZ TYR A 52 5.390 5.134 7.865 1.00 0.00 C ATOM 814 OH TYR A 52 5.968 6.267 8.394 1.00 0.00 O ATOM 0 H TYR A 52 5.334 0.833 4.528 1.00 0.00 H new ATOM 0 HA TYR A 52 4.806 0.272 7.375 1.00 0.00 H new ATOM 0 HB2 TYR A 52 3.368 1.773 5.153 1.00 0.00 H new ATOM 0 HB3 TYR A 52 2.611 1.440 6.698 1.00 0.00 H new ATOM 0 HD1 TYR A 52 6.227 2.249 6.364 1.00 0.00 H new ATOM 0 HD2 TYR A 52 2.366 3.749 7.369 1.00 0.00 H new ATOM 0 HE1 TYR A 52 7.257 4.264 7.307 1.00 0.00 H new ATOM 0 HE2 TYR A 52 3.402 5.766 8.314 1.00 0.00 H new ATOM 0 HH TYR A 52 5.268 6.862 8.737 1.00 0.00 H new ATOM 824 N ILE A 53 4.029 -1.731 5.137 1.00 0.00 N ATOM 825 CA ILE A 53 3.346 -2.975 4.826 1.00 0.00 C ATOM 826 C ILE A 53 4.328 -4.040 4.340 1.00 0.00 C ATOM 827 O ILE A 53 5.464 -3.729 3.981 1.00 0.00 O ATOM 828 CB ILE A 53 2.216 -2.751 3.764 1.00 0.00 C ATOM 829 CG1 ILE A 53 2.316 -3.712 2.568 1.00 0.00 C ATOM 830 CG2 ILE A 53 2.182 -1.305 3.277 1.00 0.00 C ATOM 831 CD1 ILE A 53 3.409 -3.379 1.588 1.00 0.00 C ATOM 0 H ILE A 53 4.861 -1.553 4.574 1.00 0.00 H new ATOM 0 HA ILE A 53 2.885 -3.331 5.747 1.00 0.00 H new ATOM 0 HB ILE A 53 1.280 -2.971 4.278 1.00 0.00 H new ATOM 0 HG12 ILE A 53 2.477 -4.723 2.943 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.362 -3.716 2.041 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.386 -1.187 2.542 1.00 0.00 H new ATOM 0 HG22 ILE A 53 1.997 -0.641 4.121 1.00 0.00 H new ATOM 0 HG23 ILE A 53 3.139 -1.053 2.820 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.406 -4.108 0.778 1.00 0.00 H new ATOM 0 HD12 ILE A 53 3.240 -2.383 1.180 1.00 0.00 H new ATOM 0 HD13 ILE A 53 4.373 -3.405 2.096 1.00 0.00 H new ATOM 843 N GLU A 54 3.873 -5.289 4.309 1.00 0.00 N ATOM 844 CA GLU A 54 4.667 -6.420 3.850 1.00 0.00 C ATOM 845 C GLU A 54 3.796 -7.403 3.069 1.00 0.00 C ATOM 846 O GLU A 54 2.574 -7.403 3.219 1.00 0.00 O ATOM 847 CB GLU A 54 5.282 -7.147 5.046 1.00 0.00 C ATOM 848 CG GLU A 54 4.283 -7.451 6.145 1.00 0.00 C ATOM 849 CD GLU A 54 4.580 -8.755 6.862 1.00 0.00 C ATOM 850 OE1 GLU A 54 5.766 -9.140 6.931 1.00 0.00 O ATOM 851 OE2 GLU A 54 3.624 -9.395 7.353 1.00 0.00 O ATOM 0 H GLU A 54 2.931 -5.545 4.606 1.00 0.00 H new ATOM 0 HA GLU A 54 5.456 -6.041 3.201 1.00 0.00 H new ATOM 0 HB2 GLU A 54 5.729 -8.080 4.704 1.00 0.00 H new ATOM 0 HB3 GLU A 54 6.088 -6.539 5.456 1.00 0.00 H new ATOM 0 HG2 GLU A 54 4.285 -6.635 6.868 1.00 0.00 H new ATOM 0 HG3 GLU A 54 3.281 -7.496 5.718 1.00 0.00 H new ATOM 858 N MET A 55 4.419 -8.271 2.286 1.00 0.00 N ATOM 859 CA MET A 55 3.685 -9.253 1.486 1.00 0.00 C ATOM 860 C MET A 55 2.816 -10.184 2.320 1.00 0.00 C ATOM 861 O MET A 55 3.292 -10.871 3.224 1.00 0.00 O ATOM 862 CB MET A 55 4.668 -10.077 0.659 1.00 0.00 C ATOM 863 CG MET A 55 5.810 -10.649 1.486 1.00 0.00 C ATOM 864 SD MET A 55 7.431 -10.162 0.869 1.00 0.00 S ATOM 865 CE MET A 55 7.668 -11.373 -0.426 1.00 0.00 C ATOM 0 H MET A 55 5.433 -8.319 2.184 1.00 0.00 H new ATOM 0 HA MET A 55 3.012 -8.690 0.839 1.00 0.00 H new ATOM 0 HB2 MET A 55 4.132 -10.894 0.176 1.00 0.00 H new ATOM 0 HB3 MET A 55 5.079 -9.453 -0.134 1.00 0.00 H new ATOM 0 HG2 MET A 55 5.705 -10.318 2.519 1.00 0.00 H new ATOM 0 HG3 MET A 55 5.740 -11.737 1.491 1.00 0.00 H new ATOM 0 HE1 MET A 55 8.631 -11.206 -0.908 1.00 0.00 H new ATOM 0 HE2 MET A 55 7.646 -12.374 0.004 1.00 0.00 H new ATOM 0 HE3 MET A 55 6.872 -11.277 -1.164 1.00 0.00 H new ATOM 875 N LYS A 56 1.539 -10.259 1.920 1.00 0.00 N ATOM 876 CA LYS A 56 0.567 -11.155 2.536 1.00 0.00 C ATOM 877 C LYS A 56 0.551 -12.467 1.760 1.00 0.00 C ATOM 878 O LYS A 56 -0.278 -13.346 2.001 1.00 0.00 O ATOM 879 CB LYS A 56 -0.855 -10.577 2.530 1.00 0.00 C ATOM 880 CG LYS A 56 -1.488 -10.497 3.910 1.00 0.00 C ATOM 881 CD LYS A 56 -1.915 -11.871 4.410 1.00 0.00 C ATOM 882 CE LYS A 56 -3.419 -11.946 4.628 1.00 0.00 C ATOM 883 NZ LYS A 56 -3.853 -11.141 5.803 1.00 0.00 N ATOM 0 H LYS A 56 1.157 -9.697 1.159 1.00 0.00 H new ATOM 0 HA LYS A 56 0.867 -11.300 3.574 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -0.830 -9.579 2.093 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -1.485 -11.191 1.886 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -0.779 -10.058 4.612 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -2.354 -9.836 3.876 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -1.613 -12.631 3.689 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -1.400 -12.095 5.344 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -3.933 -11.590 3.735 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -3.713 -12.986 4.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -4.884 -11.220 5.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -3.383 -11.496 6.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -3.596 -10.144 5.655 1.00 0.00 H new ATOM 897 N ASN A 57 1.469 -12.559 0.803 1.00 0.00 N ATOM 898 CA ASN A 57 1.576 -13.732 -0.056 1.00 0.00 C ATOM 899 C ASN A 57 2.829 -14.552 0.249 1.00 0.00 C ATOM 900 O ASN A 57 3.630 -14.823 -0.645 1.00 0.00 O ATOM 901 CB ASN A 57 1.580 -13.305 -1.528 1.00 0.00 C ATOM 902 CG ASN A 57 2.596 -12.210 -1.803 1.00 0.00 C ATOM 903 OD1 ASN A 57 3.785 -12.479 -1.975 1.00 0.00 O ATOM 904 ND2 ASN A 57 2.131 -10.965 -1.843 1.00 0.00 N ATOM 0 H ASN A 57 2.153 -11.830 0.603 1.00 0.00 H new ATOM 0 HA ASN A 57 0.710 -14.364 0.142 1.00 0.00 H new ATOM 0 HB2 ASN A 57 1.800 -14.169 -2.155 1.00 0.00 H new ATOM 0 HB3 ASN A 57 0.586 -12.955 -1.806 1.00 0.00 H new ATOM 0 HD21 ASN A 57 2.768 -10.188 -2.022 1.00 0.00 H new ATOM 0 HD22 ASN A 57 1.138 -10.787 -1.695 1.00 0.00 H new ATOM 911 N HIS A 58 2.979 -14.972 1.498 1.00 0.00 N ATOM 912 CA HIS A 58 4.136 -15.783 1.875 1.00 0.00 C ATOM 913 C HIS A 58 4.038 -17.152 1.205 1.00 0.00 C ATOM 914 O HIS A 58 4.898 -17.523 0.407 1.00 0.00 O ATOM 915 CB HIS A 58 4.207 -15.983 3.395 1.00 0.00 C ATOM 916 CG HIS A 58 3.950 -14.742 4.196 1.00 0.00 C ATOM 917 ND1 HIS A 58 2.716 -14.127 4.267 1.00 0.00 N ATOM 918 CD2 HIS A 58 4.777 -14.007 4.976 1.00 0.00 C ATOM 919 CE1 HIS A 58 2.798 -13.067 5.049 1.00 0.00 C ATOM 920 NE2 HIS A 58 4.037 -12.973 5.493 1.00 0.00 N ATOM 0 H HIS A 58 2.329 -14.771 2.258 1.00 0.00 H new ATOM 0 HA HIS A 58 5.034 -15.259 1.549 1.00 0.00 H new ATOM 0 HB2 HIS A 58 3.481 -16.744 3.683 1.00 0.00 H new ATOM 0 HB3 HIS A 58 5.193 -16.369 3.653 1.00 0.00 H new ATOM 0 HD2 HIS A 58 5.824 -14.199 5.158 1.00 0.00 H new ATOM 0 HE1 HIS A 58 1.989 -12.392 5.285 1.00 0.00 H new ATOM 0 HE2 HIS A 58 4.388 -12.249 6.119 1.00 0.00 H new ATOM 929 N ASP A 59 2.976 -17.890 1.515 1.00 0.00 N ATOM 930 CA ASP A 59 2.760 -19.207 0.922 1.00 0.00 C ATOM 931 C ASP A 59 1.285 -19.416 0.599 1.00 0.00 C ATOM 932 O ASP A 59 0.917 -20.547 0.216 1.00 0.00 O ATOM 933 CB ASP A 59 3.249 -20.316 1.857 1.00 0.00 C ATOM 934 CG ASP A 59 3.623 -21.580 1.102 1.00 0.00 C ATOM 935 OD1 ASP A 59 2.707 -22.269 0.607 1.00 0.00 O ATOM 936 OD2 ASP A 59 4.832 -21.876 1.006 1.00 0.00 O ATOM 937 OXT ASP A 59 0.509 -18.448 0.732 1.00 0.00 O ATOM 0 H ASP A 59 2.252 -17.599 2.172 1.00 0.00 H new ATOM 0 HA ASP A 59 3.335 -19.253 -0.003 1.00 0.00 H new ATOM 0 HB2 ASP A 59 4.113 -19.961 2.418 1.00 0.00 H new ATOM 0 HB3 ASP A 59 2.470 -20.546 2.584 1.00 0.00 H new TER 942 ASP A 59