USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 637 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 70 ASN : amide:sc= 1.79 K(o=1,f=-9.6!) USER MOD Set 1.2: A 73 THR OG1 : rot 180:sc= -0.779 USER MOD Set 2.1: A 69 GLN : amide:sc= 0.151 K(o=-0.95,f=-10!) USER MOD Set 2.2: A 76 TYR OH : rot 160:sc= -1.1 USER MOD Set 3.1: A 65 SER OG : rot -36:sc= 0.677 USER MOD Set 3.2: A 99 MET CE :methyl 164:sc= -0.243 (180deg=-0.503) USER MOD Set 4.1: A 37 HIS : no HD1:sc= -1.97 K(o=-6.1,f=-4.4) USER MOD Set 4.2: A 48 HIS : no HD1:sc= -4.15! C(o=-6.1!,f=-4.4!) USER MOD Single : A 7 SER OG : rot 39:sc= 0.0654 USER MOD Single : A 8 MET CE :methyl -112:sc= -1.46 (180deg=-4.08!) USER MOD Single : A 9 LYS NZ :NH3+ -173:sc= 0.433 (180deg=0.0235) USER MOD Single : A 34 SER OG : rot -146:sc= 1.14 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 124:sc= 0.663 USER MOD Single : A 46 LYS NZ :NH3+ 165:sc= 1.28 (180deg=1.06) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 83:sc= 1.07 USER MOD Single : A 55 HIS : no HD1:sc= -0.0259 X(o=-0.026,f=-0.013) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0087) USER MOD Single : A 64 SER OG : rot -101:sc= 0.497 USER MOD Single : A 66 TYR OH : rot -160:sc= 0.307 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot -170:sc= -1.71! USER MOD Single : A 92 LYS NZ :NH3+ -161:sc= -0.118 (180deg=-0.533) USER MOD Single : A 93 SER OG : rot 167:sc= 0.188 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 69 N SER A 7 -17.496 -6.694 -4.557 1.00 0.00 N ATOM 70 CA SER A 7 -16.252 -5.979 -4.708 1.00 0.00 C ATOM 71 C SER A 7 -16.071 -4.950 -3.579 1.00 0.00 C ATOM 72 O SER A 7 -17.033 -4.292 -3.143 1.00 0.00 O ATOM 73 CB SER A 7 -16.151 -5.368 -6.101 1.00 0.00 C ATOM 74 OG SER A 7 -16.396 -6.344 -7.114 1.00 0.00 O ATOM 0 HA SER A 7 -15.423 -6.681 -4.616 1.00 0.00 H new ATOM 0 HB2 SER A 7 -16.869 -4.554 -6.196 1.00 0.00 H new ATOM 0 HB3 SER A 7 -15.160 -4.937 -6.240 1.00 0.00 H new ATOM 0 HG SER A 7 -17.115 -6.944 -6.824 1.00 0.00 H new ATOM 80 N MET A 8 -14.864 -4.849 -3.103 1.00 0.00 N ATOM 81 CA MET A 8 -14.556 -4.052 -1.952 1.00 0.00 C ATOM 82 C MET A 8 -13.512 -3.039 -2.221 1.00 0.00 C ATOM 83 O MET A 8 -12.579 -3.300 -2.947 1.00 0.00 O ATOM 84 CB MET A 8 -14.054 -4.945 -0.880 1.00 0.00 C ATOM 85 CG MET A 8 -14.957 -6.085 -0.604 1.00 0.00 C ATOM 86 SD MET A 8 -14.443 -7.053 0.738 1.00 0.00 S ATOM 87 CE MET A 8 -15.740 -8.229 0.708 1.00 0.00 C ATOM 0 H MET A 8 -14.057 -5.323 -3.508 1.00 0.00 H new ATOM 0 HA MET A 8 -15.469 -3.531 -1.664 1.00 0.00 H new ATOM 0 HB2 MET A 8 -13.073 -5.327 -1.163 1.00 0.00 H new ATOM 0 HB3 MET A 8 -13.920 -4.366 0.034 1.00 0.00 H new ATOM 0 HG2 MET A 8 -15.960 -5.706 -0.408 1.00 0.00 H new ATOM 0 HG3 MET A 8 -15.022 -6.713 -1.493 1.00 0.00 H new ATOM 0 HE1 MET A 8 -16.363 -8.106 1.594 1.00 0.00 H new ATOM 0 HE2 MET A 8 -16.346 -8.080 -0.186 1.00 0.00 H new ATOM 0 HE3 MET A 8 -15.319 -9.234 0.697 1.00 0.00 H new ATOM 97 N LYS A 9 -13.670 -1.874 -1.646 1.00 0.00 N ATOM 98 CA LYS A 9 -12.666 -0.858 -1.746 1.00 0.00 C ATOM 99 C LYS A 9 -11.887 -0.890 -0.431 1.00 0.00 C ATOM 100 O LYS A 9 -12.324 -0.368 0.600 1.00 0.00 O ATOM 101 CB LYS A 9 -13.298 0.508 -2.029 1.00 0.00 C ATOM 102 CG LYS A 9 -12.369 1.566 -2.576 1.00 0.00 C ATOM 103 CD LYS A 9 -13.167 2.820 -2.881 1.00 0.00 C ATOM 104 CE LYS A 9 -12.480 3.727 -3.885 1.00 0.00 C ATOM 105 NZ LYS A 9 -11.204 4.315 -3.415 1.00 0.00 N ATOM 0 H LYS A 9 -14.491 -1.609 -1.102 1.00 0.00 H new ATOM 0 HA LYS A 9 -11.989 -1.039 -2.581 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -14.115 0.369 -2.737 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -13.738 0.882 -1.104 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -11.584 1.787 -1.853 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -11.878 1.204 -3.479 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -14.147 2.537 -3.266 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -13.335 3.372 -1.956 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -12.289 3.160 -4.796 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -13.161 4.536 -4.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -10.865 5.009 -4.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -11.355 4.787 -2.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -10.495 3.562 -3.303 1.00 0.00 H new ATOM 119 N ILE A 10 -10.786 -1.575 -0.479 1.00 0.00 N ATOM 120 CA ILE A 10 -9.972 -1.873 0.657 1.00 0.00 C ATOM 121 C ILE A 10 -8.706 -1.061 0.633 1.00 0.00 C ATOM 122 O ILE A 10 -8.123 -0.864 -0.428 1.00 0.00 O ATOM 123 CB ILE A 10 -9.620 -3.373 0.588 1.00 0.00 C ATOM 124 CG1 ILE A 10 -10.887 -4.195 0.743 1.00 0.00 C ATOM 125 CG2 ILE A 10 -8.550 -3.774 1.598 1.00 0.00 C ATOM 126 CD1 ILE A 10 -10.722 -5.635 0.403 1.00 0.00 C ATOM 0 H ILE A 10 -10.415 -1.958 -1.349 1.00 0.00 H new ATOM 0 HA ILE A 10 -10.509 -1.633 1.575 1.00 0.00 H new ATOM 0 HB ILE A 10 -9.184 -3.576 -0.390 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -11.237 -4.113 1.772 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -11.664 -3.769 0.108 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -8.342 -4.840 1.504 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -7.638 -3.208 1.406 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -8.904 -3.561 2.607 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -11.672 -6.152 0.540 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -10.403 -5.730 -0.635 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -9.970 -6.079 1.055 1.00 0.00 H new ATOM 138 N ARG A 11 -8.297 -0.577 1.782 1.00 0.00 N ATOM 139 CA ARG A 11 -7.020 0.024 1.916 1.00 0.00 C ATOM 140 C ARG A 11 -5.947 -0.944 1.753 1.00 0.00 C ATOM 141 O ARG A 11 -6.007 -2.057 2.241 1.00 0.00 O ATOM 142 CB ARG A 11 -6.827 0.694 3.257 1.00 0.00 C ATOM 143 CG ARG A 11 -7.204 2.153 3.262 1.00 0.00 C ATOM 144 CD ARG A 11 -6.868 2.772 4.601 1.00 0.00 C ATOM 145 NE ARG A 11 -5.613 2.240 5.170 1.00 0.00 N ATOM 146 CZ ARG A 11 -5.460 1.921 6.456 1.00 0.00 C ATOM 147 NH1 ARG A 11 -6.391 2.255 7.346 1.00 0.00 N ATOM 148 NH2 ARG A 11 -4.375 1.303 6.850 1.00 0.00 N ATOM 0 H ARG A 11 -8.849 -0.596 2.640 1.00 0.00 H new ATOM 0 HA ARG A 11 -6.979 0.774 1.126 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -7.423 0.171 4.004 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -5.783 0.596 3.556 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -6.673 2.677 2.467 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -8.269 2.262 3.059 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -6.782 3.853 4.487 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -7.686 2.589 5.298 1.00 0.00 H new ATOM 0 HE ARG A 11 -4.818 2.109 4.544 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -7.226 2.757 7.046 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -6.269 2.009 8.328 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -3.649 1.066 6.174 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -4.256 1.058 7.833 1.00 0.00 H new ATOM 162 N VAL A 12 -5.011 -0.566 1.025 1.00 0.00 N ATOM 163 CA VAL A 12 -3.895 -1.334 0.828 1.00 0.00 C ATOM 164 C VAL A 12 -2.716 -0.551 1.286 1.00 0.00 C ATOM 165 O VAL A 12 -2.555 0.580 0.813 1.00 0.00 O ATOM 166 CB VAL A 12 -3.714 -1.557 -0.701 1.00 0.00 C ATOM 167 CG1 VAL A 12 -2.532 -2.467 -0.959 1.00 0.00 C ATOM 168 CG2 VAL A 12 -4.973 -2.162 -1.294 1.00 0.00 C ATOM 0 H VAL A 12 -5.001 0.325 0.529 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.989 -2.280 1.360 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.528 -0.593 -1.175 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.415 -2.616 -2.032 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.628 -2.012 -0.555 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.701 -3.429 -0.476 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -4.835 -2.314 -2.364 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -5.177 -3.120 -0.815 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.813 -1.488 -1.129 1.00 0.00 H new ATOM 178 N GLU A 13 -1.928 -1.049 2.210 1.00 0.00 N ATOM 179 CA GLU A 13 -0.691 -0.400 2.384 1.00 0.00 C ATOM 180 C GLU A 13 0.264 -0.931 1.383 1.00 0.00 C ATOM 181 O GLU A 13 0.221 -2.109 1.044 1.00 0.00 O ATOM 182 CB GLU A 13 0.070 -0.404 3.728 1.00 0.00 C ATOM 183 CG GLU A 13 -0.252 0.766 4.666 1.00 0.00 C ATOM 184 CD GLU A 13 -1.650 0.805 5.241 1.00 0.00 C ATOM 185 OE1 GLU A 13 -2.567 1.357 4.612 1.00 0.00 O ATOM 186 OE2 GLU A 13 -1.834 0.383 6.388 1.00 0.00 O ATOM 0 H GLU A 13 -2.120 -1.852 2.809 1.00 0.00 H new ATOM 0 HA GLU A 13 -1.017 0.636 2.294 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -0.149 -1.336 4.248 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.140 -0.399 3.521 1.00 0.00 H new ATOM 0 HG2 GLU A 13 0.457 0.745 5.494 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -0.080 1.696 4.123 1.00 0.00 H new ATOM 193 N LEU A 14 1.094 -0.098 0.910 1.00 0.00 N ATOM 194 CA LEU A 14 2.117 -0.490 -0.014 1.00 0.00 C ATOM 195 C LEU A 14 3.486 -0.318 0.599 1.00 0.00 C ATOM 196 O LEU A 14 3.753 0.673 1.290 1.00 0.00 O ATOM 197 CB LEU A 14 1.949 0.339 -1.311 1.00 0.00 C ATOM 198 CG LEU A 14 3.011 0.293 -2.450 1.00 0.00 C ATOM 199 CD1 LEU A 14 4.197 1.195 -2.174 1.00 0.00 C ATOM 200 CD2 LEU A 14 3.465 -1.119 -2.747 1.00 0.00 C ATOM 0 H LEU A 14 1.099 0.895 1.145 1.00 0.00 H new ATOM 0 HA LEU A 14 2.020 -1.548 -0.258 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.997 0.045 -1.753 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.852 1.382 -1.010 1.00 0.00 H new ATOM 0 HG LEU A 14 2.513 0.676 -3.340 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.907 1.125 -2.998 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.855 2.225 -2.075 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.683 0.884 -1.249 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.205 -1.103 -3.547 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.908 -1.555 -1.852 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.609 -1.719 -3.057 1.00 0.00 H new ATOM 212 N ILE A 15 4.345 -1.289 0.392 1.00 0.00 N ATOM 213 CA ILE A 15 5.744 -1.102 0.732 1.00 0.00 C ATOM 214 C ILE A 15 6.571 -1.050 -0.558 1.00 0.00 C ATOM 215 O ILE A 15 6.584 -2.005 -1.361 1.00 0.00 O ATOM 216 CB ILE A 15 6.463 -2.164 1.680 1.00 0.00 C ATOM 217 CG1 ILE A 15 5.950 -2.069 3.143 1.00 0.00 C ATOM 218 CG2 ILE A 15 7.987 -1.968 1.690 1.00 0.00 C ATOM 219 CD1 ILE A 15 4.470 -2.294 3.335 1.00 0.00 C ATOM 0 H ILE A 15 4.111 -2.200 -0.002 1.00 0.00 H new ATOM 0 HA ILE A 15 5.712 -0.181 1.314 1.00 0.00 H new ATOM 0 HB ILE A 15 6.221 -3.146 1.273 1.00 0.00 H new ATOM 0 HG12 ILE A 15 6.491 -2.799 3.746 1.00 0.00 H new ATOM 0 HG13 ILE A 15 6.202 -1.083 3.533 1.00 0.00 H new ATOM 0 HG21 ILE A 15 8.445 -2.708 2.346 1.00 0.00 H new ATOM 0 HG22 ILE A 15 8.376 -2.089 0.679 1.00 0.00 H new ATOM 0 HG23 ILE A 15 8.223 -0.967 2.052 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.223 -2.205 4.393 1.00 0.00 H new ATOM 0 HD12 ILE A 15 3.912 -1.549 2.768 1.00 0.00 H new ATOM 0 HD13 ILE A 15 4.205 -3.291 2.983 1.00 0.00 H new ATOM 483 N PRO A 33 2.490 4.477 1.997 1.00 0.00 N ATOM 484 CA PRO A 33 1.543 4.780 0.899 1.00 0.00 C ATOM 485 C PRO A 33 0.355 3.814 0.914 1.00 0.00 C ATOM 486 O PRO A 33 0.544 2.598 1.045 1.00 0.00 O ATOM 487 CB PRO A 33 2.414 4.542 -0.359 1.00 0.00 C ATOM 488 CG PRO A 33 3.635 3.849 0.127 1.00 0.00 C ATOM 489 CD PRO A 33 3.857 4.359 1.492 1.00 0.00 C ATOM 0 HA PRO A 33 1.113 5.779 0.961 1.00 0.00 H new ATOM 0 HB2 PRO A 33 1.885 3.935 -1.093 1.00 0.00 H new ATOM 0 HB3 PRO A 33 2.665 5.484 -0.846 1.00 0.00 H new ATOM 0 HG2 PRO A 33 3.499 2.768 0.129 1.00 0.00 H new ATOM 0 HG3 PRO A 33 4.489 4.061 -0.516 1.00 0.00 H new ATOM 0 HD2 PRO A 33 4.456 3.673 2.092 1.00 0.00 H new ATOM 0 HD3 PRO A 33 4.376 5.318 1.490 1.00 0.00 H new ATOM 497 N SER A 34 -0.845 4.332 0.770 1.00 0.00 N ATOM 498 CA SER A 34 -2.007 3.496 0.832 1.00 0.00 C ATOM 499 C SER A 34 -3.021 3.932 -0.210 1.00 0.00 C ATOM 500 O SER A 34 -2.972 5.067 -0.703 1.00 0.00 O ATOM 501 CB SER A 34 -2.652 3.550 2.221 1.00 0.00 C ATOM 502 OG SER A 34 -1.699 3.404 3.252 1.00 0.00 O ATOM 0 H SER A 34 -1.034 5.322 0.611 1.00 0.00 H new ATOM 0 HA SER A 34 -1.693 2.472 0.632 1.00 0.00 H new ATOM 0 HB2 SER A 34 -3.174 4.499 2.342 1.00 0.00 H new ATOM 0 HB3 SER A 34 -3.400 2.762 2.304 1.00 0.00 H new ATOM 0 HG SER A 34 -2.103 2.926 4.006 1.00 0.00 H new ATOM 508 N VAL A 35 -3.912 3.048 -0.539 1.00 0.00 N ATOM 509 CA VAL A 35 -4.969 3.313 -1.471 1.00 0.00 C ATOM 510 C VAL A 35 -6.140 2.473 -1.107 1.00 0.00 C ATOM 511 O VAL A 35 -5.970 1.408 -0.544 1.00 0.00 O ATOM 512 CB VAL A 35 -4.548 3.016 -2.958 1.00 0.00 C ATOM 513 CG1 VAL A 35 -4.147 1.574 -3.160 1.00 0.00 C ATOM 514 CG2 VAL A 35 -5.648 3.356 -3.947 1.00 0.00 C ATOM 0 H VAL A 35 -3.927 2.101 -0.160 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.214 4.374 -1.414 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.687 3.658 -3.147 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.865 1.417 -4.201 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.301 1.338 -2.515 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.986 0.925 -2.910 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -5.309 3.134 -4.959 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.535 2.763 -3.723 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -5.891 4.416 -3.871 1.00 0.00 H new ATOM 524 N SER A 36 -7.296 2.946 -1.375 1.00 0.00 N ATOM 525 CA SER A 36 -8.444 2.178 -1.205 1.00 0.00 C ATOM 526 C SER A 36 -8.778 1.647 -2.601 1.00 0.00 C ATOM 527 O SER A 36 -9.260 2.382 -3.457 1.00 0.00 O ATOM 528 CB SER A 36 -9.522 3.010 -0.647 1.00 0.00 C ATOM 529 OG SER A 36 -9.049 3.825 0.420 1.00 0.00 O ATOM 0 H SER A 36 -7.463 3.890 -1.722 1.00 0.00 H new ATOM 0 HA SER A 36 -8.309 1.354 -0.504 1.00 0.00 H new ATOM 0 HB2 SER A 36 -9.940 3.641 -1.431 1.00 0.00 H new ATOM 0 HB3 SER A 36 -10.329 2.371 -0.289 1.00 0.00 H new ATOM 0 HG SER A 36 -9.787 4.367 0.769 1.00 0.00 H new ATOM 535 N HIS A 37 -8.497 0.399 -2.807 1.00 0.00 N ATOM 536 CA HIS A 37 -8.553 -0.216 -4.084 1.00 0.00 C ATOM 537 C HIS A 37 -9.723 -1.187 -4.152 1.00 0.00 C ATOM 538 O HIS A 37 -10.071 -1.803 -3.161 1.00 0.00 O ATOM 539 CB HIS A 37 -7.207 -0.926 -4.322 1.00 0.00 C ATOM 540 CG HIS A 37 -7.128 -1.743 -5.562 1.00 0.00 C ATOM 541 ND1 HIS A 37 -6.657 -1.282 -6.757 1.00 0.00 N ATOM 542 CD2 HIS A 37 -7.474 -3.007 -5.766 1.00 0.00 C ATOM 543 CE1 HIS A 37 -6.724 -2.234 -7.645 1.00 0.00 C ATOM 544 NE2 HIS A 37 -7.223 -3.304 -7.074 1.00 0.00 N ATOM 0 H HIS A 37 -8.213 -0.237 -2.061 1.00 0.00 H new ATOM 0 HA HIS A 37 -8.714 0.526 -4.866 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -6.419 -0.174 -4.352 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -7.000 -1.571 -3.468 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -7.882 -3.682 -5.028 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -6.419 -2.155 -8.678 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -7.394 -4.201 -7.528 1.00 0.00 H new ATOM 553 N ILE A 38 -10.284 -1.311 -5.324 1.00 0.00 N ATOM 554 CA ILE A 38 -11.459 -2.162 -5.610 1.00 0.00 C ATOM 555 C ILE A 38 -10.891 -3.606 -5.843 1.00 0.00 C ATOM 556 O ILE A 38 -10.124 -3.856 -6.793 1.00 0.00 O ATOM 557 CB ILE A 38 -12.033 -1.680 -6.884 1.00 0.00 C ATOM 558 CG1 ILE A 38 -12.468 -0.195 -6.782 1.00 0.00 C ATOM 559 CG2 ILE A 38 -13.226 -2.574 -7.166 1.00 0.00 C ATOM 560 CD1 ILE A 38 -13.562 0.084 -5.753 1.00 0.00 C ATOM 0 H ILE A 38 -9.942 -0.816 -6.148 1.00 0.00 H new ATOM 0 HA ILE A 38 -12.206 -2.144 -4.816 1.00 0.00 H new ATOM 0 HB ILE A 38 -11.298 -1.726 -7.688 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -11.594 0.408 -6.535 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -12.817 0.135 -7.761 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -13.697 -2.268 -8.100 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -12.894 -3.609 -7.249 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -13.945 -2.488 -6.352 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -13.800 1.148 -5.754 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -14.455 -0.487 -6.007 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -13.213 -0.209 -4.763 1.00 0.00 H new ATOM 572 N PHE A 39 -11.203 -4.478 -4.972 1.00 0.00 N ATOM 573 CA PHE A 39 -10.831 -5.840 -5.082 1.00 0.00 C ATOM 574 C PHE A 39 -12.074 -6.664 -5.267 1.00 0.00 C ATOM 575 O PHE A 39 -13.135 -6.319 -4.745 1.00 0.00 O ATOM 576 CB PHE A 39 -10.113 -6.312 -3.852 1.00 0.00 C ATOM 577 CG PHE A 39 -8.758 -5.759 -3.616 1.00 0.00 C ATOM 578 CD1 PHE A 39 -7.644 -6.377 -4.149 1.00 0.00 C ATOM 579 CD2 PHE A 39 -8.591 -4.662 -2.819 1.00 0.00 C ATOM 580 CE1 PHE A 39 -6.383 -5.895 -3.895 1.00 0.00 C ATOM 581 CE2 PHE A 39 -7.340 -4.178 -2.546 1.00 0.00 C ATOM 582 CZ PHE A 39 -6.228 -4.797 -3.087 1.00 0.00 C ATOM 0 H PHE A 39 -11.742 -4.264 -4.133 1.00 0.00 H new ATOM 0 HA PHE A 39 -10.159 -5.949 -5.933 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -10.732 -6.077 -2.986 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -10.033 -7.398 -3.901 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -7.766 -7.250 -4.773 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -9.456 -4.171 -2.399 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -5.519 -6.377 -4.328 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -7.222 -3.314 -1.909 1.00 0.00 H new ATOM 0 HZ PHE A 39 -5.240 -4.417 -2.874 1.00 0.00 H new ATOM 592 N ASP A 40 -11.937 -7.728 -6.002 1.00 0.00 N ATOM 593 CA ASP A 40 -13.002 -8.640 -6.297 1.00 0.00 C ATOM 594 C ASP A 40 -12.384 -10.038 -6.414 1.00 0.00 C ATOM 595 O ASP A 40 -11.175 -10.198 -6.177 1.00 0.00 O ATOM 596 CB ASP A 40 -13.709 -8.248 -7.619 1.00 0.00 C ATOM 597 CG ASP A 40 -12.781 -8.273 -8.825 1.00 0.00 C ATOM 598 OD1 ASP A 40 -12.372 -9.347 -9.233 1.00 0.00 O ATOM 599 OD2 ASP A 40 -12.450 -7.223 -9.379 1.00 0.00 O ATOM 0 H ASP A 40 -11.049 -7.994 -6.428 1.00 0.00 H new ATOM 0 HA ASP A 40 -13.754 -8.616 -5.508 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -14.541 -8.930 -7.795 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -14.132 -7.249 -7.515 1.00 0.00 H new ATOM 604 N GLY A 41 -13.165 -10.992 -6.874 1.00 0.00 N ATOM 605 CA GLY A 41 -12.708 -12.371 -6.972 1.00 0.00 C ATOM 606 C GLY A 41 -12.812 -12.887 -8.396 1.00 0.00 C ATOM 607 O GLY A 41 -12.786 -14.102 -8.648 1.00 0.00 O ATOM 0 H GLY A 41 -14.124 -10.842 -7.188 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -11.674 -12.439 -6.633 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -13.302 -13.001 -6.310 1.00 0.00 H new ATOM 611 N GLU A 42 -12.915 -11.956 -9.320 1.00 0.00 N ATOM 612 CA GLU A 42 -13.083 -12.225 -10.703 1.00 0.00 C ATOM 613 C GLU A 42 -11.834 -11.840 -11.478 1.00 0.00 C ATOM 614 O GLU A 42 -11.535 -12.388 -12.548 1.00 0.00 O ATOM 615 CB GLU A 42 -14.282 -11.459 -11.184 1.00 0.00 C ATOM 616 CG GLU A 42 -15.592 -11.885 -10.573 1.00 0.00 C ATOM 617 CD GLU A 42 -15.953 -13.284 -10.951 1.00 0.00 C ATOM 618 OE1 GLU A 42 -16.542 -13.472 -12.022 1.00 0.00 O ATOM 619 OE2 GLU A 42 -15.643 -14.221 -10.202 1.00 0.00 O ATOM 0 H GLU A 42 -12.881 -10.960 -9.105 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.242 -13.291 -10.865 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -14.127 -10.401 -10.975 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -14.352 -11.563 -12.267 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -15.529 -11.807 -9.488 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -16.381 -11.206 -10.896 1.00 0.00 H new ATOM 626 N THR A 43 -11.145 -10.886 -10.956 1.00 0.00 N ATOM 627 CA THR A 43 -9.937 -10.426 -11.455 1.00 0.00 C ATOM 628 C THR A 43 -8.799 -11.117 -10.719 1.00 0.00 C ATOM 629 O THR A 43 -8.836 -11.211 -9.466 1.00 0.00 O ATOM 630 CB THR A 43 -9.867 -8.958 -11.158 1.00 0.00 C ATOM 631 OG1 THR A 43 -11.026 -8.278 -11.672 1.00 0.00 O ATOM 632 CG2 THR A 43 -8.593 -8.340 -11.660 1.00 0.00 C ATOM 0 H THR A 43 -11.446 -10.389 -10.118 1.00 0.00 H new ATOM 0 HA THR A 43 -9.858 -10.624 -12.524 1.00 0.00 H new ATOM 0 HB THR A 43 -9.862 -8.842 -10.074 1.00 0.00 H new ATOM 0 HG1 THR A 43 -11.473 -7.797 -10.944 1.00 0.00 H new ATOM 0 HG21 THR A 43 -8.586 -7.276 -11.423 1.00 0.00 H new ATOM 0 HG22 THR A 43 -7.741 -8.824 -11.182 1.00 0.00 H new ATOM 0 HG23 THR A 43 -8.526 -8.471 -12.740 1.00 0.00 H new ATOM 640 N ALA A 44 -7.832 -11.631 -11.470 1.00 0.00 N ATOM 641 CA ALA A 44 -6.648 -12.225 -10.895 1.00 0.00 C ATOM 642 C ALA A 44 -5.963 -11.255 -9.975 1.00 0.00 C ATOM 643 O ALA A 44 -6.011 -10.018 -10.177 1.00 0.00 O ATOM 644 CB ALA A 44 -5.673 -12.675 -11.967 1.00 0.00 C ATOM 0 H ALA A 44 -7.853 -11.644 -12.490 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.968 -13.100 -10.329 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.794 -13.117 -11.497 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -6.153 -13.415 -12.608 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -5.371 -11.817 -12.567 1.00 0.00 H new ATOM 650 N VAL A 45 -5.345 -11.803 -8.978 1.00 0.00 N ATOM 651 CA VAL A 45 -4.616 -11.064 -7.982 1.00 0.00 C ATOM 652 C VAL A 45 -3.589 -10.167 -8.646 1.00 0.00 C ATOM 653 O VAL A 45 -3.575 -8.967 -8.417 1.00 0.00 O ATOM 654 CB VAL A 45 -3.826 -12.001 -7.073 1.00 0.00 C ATOM 655 CG1 VAL A 45 -3.003 -11.186 -6.109 1.00 0.00 C ATOM 656 CG2 VAL A 45 -4.815 -12.850 -6.311 1.00 0.00 C ATOM 0 H VAL A 45 -5.330 -12.811 -8.824 1.00 0.00 H new ATOM 0 HA VAL A 45 -5.349 -10.493 -7.413 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.158 -12.633 -7.658 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -2.438 -11.853 -5.459 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.313 -10.552 -6.666 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.662 -10.563 -5.505 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.277 -13.531 -5.651 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -5.465 -12.207 -5.717 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.418 -13.425 -7.014 1.00 0.00 H new ATOM 666 N LYS A 46 -2.767 -10.778 -9.491 1.00 0.00 N ATOM 667 CA LYS A 46 -1.660 -10.087 -10.198 1.00 0.00 C ATOM 668 C LYS A 46 -2.165 -8.870 -10.970 1.00 0.00 C ATOM 669 O LYS A 46 -1.476 -7.884 -11.101 1.00 0.00 O ATOM 670 CB LYS A 46 -0.924 -11.040 -11.158 1.00 0.00 C ATOM 671 CG LYS A 46 -1.832 -11.598 -12.254 1.00 0.00 C ATOM 672 CD LYS A 46 -1.130 -12.580 -13.163 1.00 0.00 C ATOM 673 CE LYS A 46 -2.111 -13.193 -14.170 1.00 0.00 C ATOM 674 NZ LYS A 46 -2.754 -12.177 -15.051 1.00 0.00 N ATOM 0 H LYS A 46 -2.838 -11.770 -9.716 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.959 -9.750 -9.434 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -0.090 -10.511 -11.619 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.501 -11.867 -10.588 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.689 -12.088 -11.793 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -2.220 -10.773 -12.851 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -0.324 -12.076 -13.696 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -0.673 -13.370 -12.567 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -1.582 -13.919 -14.788 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -2.885 -13.738 -13.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -3.200 -12.653 -15.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -3.478 -11.659 -14.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -2.034 -11.510 -15.394 1.00 0.00 H new ATOM 688 N ASP A 47 -3.374 -8.947 -11.449 1.00 0.00 N ATOM 689 CA ASP A 47 -3.949 -7.878 -12.196 1.00 0.00 C ATOM 690 C ASP A 47 -4.361 -6.767 -11.285 1.00 0.00 C ATOM 691 O ASP A 47 -4.167 -5.602 -11.610 1.00 0.00 O ATOM 692 CB ASP A 47 -5.091 -8.353 -13.058 1.00 0.00 C ATOM 693 CG ASP A 47 -4.649 -9.188 -14.234 1.00 0.00 C ATOM 694 OD1 ASP A 47 -4.377 -8.619 -15.315 1.00 0.00 O ATOM 695 OD2 ASP A 47 -4.563 -10.428 -14.100 1.00 0.00 O ATOM 0 H ASP A 47 -3.985 -9.755 -11.330 1.00 0.00 H new ATOM 0 HA ASP A 47 -3.189 -7.490 -12.874 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -5.779 -8.936 -12.446 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -5.644 -7.488 -13.424 1.00 0.00 H new ATOM 700 N HIS A 48 -4.890 -7.125 -10.127 1.00 0.00 N ATOM 701 CA HIS A 48 -5.203 -6.151 -9.089 1.00 0.00 C ATOM 702 C HIS A 48 -3.879 -5.478 -8.664 1.00 0.00 C ATOM 703 O HIS A 48 -3.816 -4.268 -8.445 1.00 0.00 O ATOM 704 CB HIS A 48 -5.866 -6.809 -7.859 1.00 0.00 C ATOM 705 CG HIS A 48 -7.251 -7.396 -8.003 1.00 0.00 C ATOM 706 ND1 HIS A 48 -8.392 -6.651 -8.238 1.00 0.00 N ATOM 707 CD2 HIS A 48 -7.678 -8.674 -7.851 1.00 0.00 C ATOM 708 CE1 HIS A 48 -9.441 -7.434 -8.209 1.00 0.00 C ATOM 709 NE2 HIS A 48 -9.041 -8.667 -7.977 1.00 0.00 N ATOM 0 H HIS A 48 -5.114 -8.089 -9.879 1.00 0.00 H new ATOM 0 HA HIS A 48 -5.912 -5.424 -9.485 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -5.205 -7.604 -7.514 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -5.906 -6.062 -7.067 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -7.057 -9.538 -7.665 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -10.465 -7.121 -8.352 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -9.648 -9.484 -7.903 1.00 0.00 H new ATOM 718 N ILE A 49 -2.851 -6.291 -8.596 1.00 0.00 N ATOM 719 CA ILE A 49 -1.518 -5.879 -8.239 1.00 0.00 C ATOM 720 C ILE A 49 -0.901 -4.972 -9.287 1.00 0.00 C ATOM 721 O ILE A 49 -0.333 -3.958 -8.922 1.00 0.00 O ATOM 722 CB ILE A 49 -0.640 -7.080 -7.851 1.00 0.00 C ATOM 723 CG1 ILE A 49 -1.205 -7.713 -6.586 1.00 0.00 C ATOM 724 CG2 ILE A 49 0.822 -6.653 -7.637 1.00 0.00 C ATOM 725 CD1 ILE A 49 -0.358 -8.808 -6.043 1.00 0.00 C ATOM 0 H ILE A 49 -2.924 -7.289 -8.794 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.586 -5.265 -7.341 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.650 -7.808 -8.662 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -1.322 -6.942 -5.824 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -2.200 -8.105 -6.798 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.419 -7.523 -7.364 1.00 0.00 H new ATOM 0 HG22 ILE A 49 1.213 -6.219 -8.558 1.00 0.00 H new ATOM 0 HG23 ILE A 49 0.872 -5.913 -6.838 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.820 -9.213 -5.143 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.262 -9.597 -6.788 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.630 -8.417 -5.799 1.00 0.00 H new ATOM 737 N LYS A 50 -1.047 -5.281 -10.583 1.00 0.00 N ATOM 738 CA LYS A 50 -0.556 -4.367 -11.618 1.00 0.00 C ATOM 739 C LYS A 50 -1.220 -2.990 -11.500 1.00 0.00 C ATOM 740 O LYS A 50 -0.578 -1.962 -11.732 1.00 0.00 O ATOM 741 CB LYS A 50 -0.733 -4.937 -13.026 1.00 0.00 C ATOM 742 CG LYS A 50 0.090 -6.161 -13.315 1.00 0.00 C ATOM 743 CD LYS A 50 -0.023 -6.558 -14.769 1.00 0.00 C ATOM 744 CE LYS A 50 0.788 -7.800 -15.055 1.00 0.00 C ATOM 745 NZ LYS A 50 0.622 -8.268 -16.442 1.00 0.00 N ATOM 0 H LYS A 50 -1.488 -6.132 -10.931 1.00 0.00 H new ATOM 0 HA LYS A 50 0.515 -4.248 -11.451 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.785 -5.179 -13.176 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.478 -4.164 -13.751 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.134 -5.969 -13.067 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -0.242 -6.984 -12.683 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -1.068 -6.736 -15.021 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.323 -5.740 -15.401 1.00 0.00 H new ATOM 0 HE2 LYS A 50 1.842 -7.595 -14.867 1.00 0.00 H new ATOM 0 HE3 LYS A 50 0.490 -8.592 -14.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.197 -9.122 -16.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.379 -8.490 -16.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.931 -7.523 -17.099 1.00 0.00 H new ATOM 759 N VAL A 51 -2.483 -2.975 -11.092 1.00 0.00 N ATOM 760 CA VAL A 51 -3.208 -1.736 -10.886 1.00 0.00 C ATOM 761 C VAL A 51 -2.636 -0.985 -9.702 1.00 0.00 C ATOM 762 O VAL A 51 -2.319 0.204 -9.817 1.00 0.00 O ATOM 763 CB VAL A 51 -4.707 -1.932 -10.665 1.00 0.00 C ATOM 764 CG1 VAL A 51 -5.371 -0.609 -10.405 1.00 0.00 C ATOM 765 CG2 VAL A 51 -5.358 -2.650 -11.809 1.00 0.00 C ATOM 0 H VAL A 51 -3.026 -3.816 -10.897 1.00 0.00 H new ATOM 0 HA VAL A 51 -3.087 -1.165 -11.806 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.833 -2.565 -9.787 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.439 -0.762 -10.249 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.936 -0.152 -9.516 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -5.220 0.048 -11.261 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -6.423 -2.766 -11.607 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -5.223 -2.074 -12.724 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -4.902 -3.633 -11.929 1.00 0.00 H new ATOM 775 N LEU A 52 -2.530 -1.655 -8.580 1.00 0.00 N ATOM 776 CA LEU A 52 -1.943 -1.084 -7.383 1.00 0.00 C ATOM 777 C LEU A 52 -0.562 -0.558 -7.656 1.00 0.00 C ATOM 778 O LEU A 52 -0.278 0.582 -7.324 1.00 0.00 O ATOM 779 CB LEU A 52 -1.901 -2.143 -6.319 1.00 0.00 C ATOM 780 CG LEU A 52 -3.256 -2.559 -5.836 1.00 0.00 C ATOM 781 CD1 LEU A 52 -3.194 -3.929 -5.264 1.00 0.00 C ATOM 782 CD2 LEU A 52 -3.750 -1.578 -4.816 1.00 0.00 C ATOM 0 H LEU A 52 -2.849 -2.617 -8.467 1.00 0.00 H new ATOM 0 HA LEU A 52 -2.551 -0.244 -7.048 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.379 -3.017 -6.708 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.320 -1.774 -5.474 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.952 -2.571 -6.674 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.184 -4.223 -4.915 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.857 -4.628 -6.029 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.496 -3.943 -4.427 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.736 -1.883 -4.466 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.059 -1.550 -3.974 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.815 -0.587 -5.266 1.00 0.00 H new ATOM 794 N LEU A 53 0.275 -1.369 -8.304 1.00 0.00 N ATOM 795 CA LEU A 53 1.610 -0.965 -8.650 1.00 0.00 C ATOM 796 C LEU A 53 1.564 0.292 -9.478 1.00 0.00 C ATOM 797 O LEU A 53 2.240 1.237 -9.177 1.00 0.00 O ATOM 798 CB LEU A 53 2.340 -2.081 -9.382 1.00 0.00 C ATOM 799 CG LEU A 53 2.563 -3.351 -8.589 1.00 0.00 C ATOM 800 CD1 LEU A 53 3.279 -4.343 -9.436 1.00 0.00 C ATOM 801 CD2 LEU A 53 3.340 -3.077 -7.325 1.00 0.00 C ATOM 0 H LEU A 53 0.035 -2.316 -8.596 1.00 0.00 H new ATOM 0 HA LEU A 53 2.165 -0.757 -7.735 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.776 -2.330 -10.281 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.309 -1.703 -9.708 1.00 0.00 H new ATOM 0 HG LEU A 53 1.594 -3.755 -8.297 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.441 -5.258 -8.867 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.681 -4.566 -10.320 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.241 -3.932 -9.743 1.00 0.00 H new ATOM 0 HD21 LEU A 53 3.484 -4.008 -6.777 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.311 -2.652 -7.580 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.787 -2.372 -6.704 1.00 0.00 H new ATOM 813 N THR A 54 0.713 0.310 -10.476 1.00 0.00 N ATOM 814 CA THR A 54 0.527 1.438 -11.282 1.00 0.00 C ATOM 815 C THR A 54 0.065 2.689 -10.516 1.00 0.00 C ATOM 816 O THR A 54 0.573 3.786 -10.738 1.00 0.00 O ATOM 817 CB THR A 54 -0.373 1.075 -12.473 1.00 0.00 C ATOM 818 OG1 THR A 54 0.257 0.108 -13.317 1.00 0.00 O ATOM 819 CG2 THR A 54 -0.846 2.245 -13.256 1.00 0.00 C ATOM 0 H THR A 54 0.131 -0.487 -10.735 1.00 0.00 H new ATOM 0 HA THR A 54 1.502 1.735 -11.669 1.00 0.00 H new ATOM 0 HB THR A 54 -1.270 0.634 -12.039 1.00 0.00 H new ATOM 0 HG1 THR A 54 0.120 -0.789 -12.946 1.00 0.00 H new ATOM 0 HG21 THR A 54 -1.475 1.903 -14.078 1.00 0.00 H new ATOM 0 HG22 THR A 54 -1.422 2.907 -12.609 1.00 0.00 H new ATOM 0 HG23 THR A 54 0.012 2.786 -13.656 1.00 0.00 H new ATOM 827 N HIS A 55 -0.821 2.509 -9.575 1.00 0.00 N ATOM 828 CA HIS A 55 -1.292 3.601 -8.753 1.00 0.00 C ATOM 829 C HIS A 55 -0.215 4.092 -7.772 1.00 0.00 C ATOM 830 O HIS A 55 -0.127 5.286 -7.474 1.00 0.00 O ATOM 831 CB HIS A 55 -2.628 3.218 -8.073 1.00 0.00 C ATOM 832 CG HIS A 55 -3.196 4.282 -7.188 1.00 0.00 C ATOM 833 ND1 HIS A 55 -4.035 5.274 -7.635 1.00 0.00 N ATOM 834 CD2 HIS A 55 -3.022 4.503 -5.874 1.00 0.00 C ATOM 835 CE1 HIS A 55 -4.348 6.065 -6.628 1.00 0.00 C ATOM 836 NE2 HIS A 55 -3.742 5.619 -5.546 1.00 0.00 N ATOM 0 H HIS A 55 -1.239 1.605 -9.353 1.00 0.00 H new ATOM 0 HA HIS A 55 -1.497 4.460 -9.392 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -3.359 2.976 -8.845 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -2.476 2.314 -7.483 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -2.423 3.908 -5.200 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -4.991 6.931 -6.681 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -3.800 6.037 -4.617 1.00 0.00 H new ATOM 845 N PHE A 56 0.600 3.177 -7.296 1.00 0.00 N ATOM 846 CA PHE A 56 1.720 3.498 -6.432 1.00 0.00 C ATOM 847 C PHE A 56 2.944 3.920 -7.231 1.00 0.00 C ATOM 848 O PHE A 56 3.990 4.260 -6.672 1.00 0.00 O ATOM 849 CB PHE A 56 2.037 2.335 -5.536 1.00 0.00 C ATOM 850 CG PHE A 56 0.996 2.111 -4.501 1.00 0.00 C ATOM 851 CD1 PHE A 56 0.736 3.092 -3.569 1.00 0.00 C ATOM 852 CD2 PHE A 56 0.300 0.925 -4.436 1.00 0.00 C ATOM 853 CE1 PHE A 56 -0.202 2.899 -2.585 1.00 0.00 C ATOM 854 CE2 PHE A 56 -0.647 0.719 -3.458 1.00 0.00 C ATOM 855 CZ PHE A 56 -0.895 1.712 -2.526 1.00 0.00 C ATOM 0 H PHE A 56 0.506 2.182 -7.498 1.00 0.00 H new ATOM 0 HA PHE A 56 1.432 4.347 -5.812 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.143 1.434 -6.140 1.00 0.00 H new ATOM 0 HB3 PHE A 56 2.997 2.507 -5.049 1.00 0.00 H new ATOM 0 HD1 PHE A 56 1.277 4.025 -3.613 1.00 0.00 H new ATOM 0 HD2 PHE A 56 0.499 0.148 -5.160 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -0.395 3.676 -1.860 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -1.193 -0.212 -3.418 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.632 1.555 -1.753 1.00 0.00 H new ATOM 865 N LYS A 57 2.783 3.870 -8.537 1.00 0.00 N ATOM 866 CA LYS A 57 3.759 4.312 -9.540 1.00 0.00 C ATOM 867 C LYS A 57 4.987 3.392 -9.592 1.00 0.00 C ATOM 868 O LYS A 57 6.110 3.810 -9.912 1.00 0.00 O ATOM 869 CB LYS A 57 4.114 5.780 -9.313 1.00 0.00 C ATOM 870 CG LYS A 57 2.888 6.693 -9.381 1.00 0.00 C ATOM 871 CD LYS A 57 3.218 8.144 -9.095 1.00 0.00 C ATOM 872 CE LYS A 57 4.074 8.756 -10.185 1.00 0.00 C ATOM 873 NZ LYS A 57 4.353 10.172 -9.912 1.00 0.00 N ATOM 0 H LYS A 57 1.930 3.504 -8.959 1.00 0.00 H new ATOM 0 HA LYS A 57 3.304 4.237 -10.528 1.00 0.00 H new ATOM 0 HB2 LYS A 57 4.592 5.889 -8.339 1.00 0.00 H new ATOM 0 HB3 LYS A 57 4.841 6.095 -10.062 1.00 0.00 H new ATOM 0 HG2 LYS A 57 2.438 6.616 -10.371 1.00 0.00 H new ATOM 0 HG3 LYS A 57 2.143 6.347 -8.665 1.00 0.00 H new ATOM 0 HD2 LYS A 57 2.294 8.714 -8.997 1.00 0.00 H new ATOM 0 HD3 LYS A 57 3.740 8.216 -8.141 1.00 0.00 H new ATOM 0 HE2 LYS A 57 5.012 8.207 -10.265 1.00 0.00 H new ATOM 0 HE3 LYS A 57 3.567 8.662 -11.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 4.941 10.563 -10.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 3.458 10.698 -9.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 4.858 10.258 -9.007 1.00 0.00 H new ATOM 887 N ILE A 58 4.729 2.136 -9.365 1.00 0.00 N ATOM 888 CA ILE A 58 5.678 1.098 -9.409 1.00 0.00 C ATOM 889 C ILE A 58 5.490 0.369 -10.725 1.00 0.00 C ATOM 890 O ILE A 58 4.346 0.194 -11.154 1.00 0.00 O ATOM 891 CB ILE A 58 5.388 0.118 -8.281 1.00 0.00 C ATOM 892 CG1 ILE A 58 5.407 0.870 -6.977 1.00 0.00 C ATOM 893 CG2 ILE A 58 6.412 -1.016 -8.267 1.00 0.00 C ATOM 894 CD1 ILE A 58 5.025 0.033 -5.838 1.00 0.00 C ATOM 0 H ILE A 58 3.792 1.806 -9.132 1.00 0.00 H new ATOM 0 HA ILE A 58 6.689 1.494 -9.311 1.00 0.00 H new ATOM 0 HB ILE A 58 4.407 -0.333 -8.432 1.00 0.00 H new ATOM 0 HG12 ILE A 58 6.406 1.272 -6.809 1.00 0.00 H new ATOM 0 HG13 ILE A 58 4.728 1.720 -7.042 1.00 0.00 H new ATOM 0 HG21 ILE A 58 6.183 -1.703 -7.452 1.00 0.00 H new ATOM 0 HG22 ILE A 58 6.374 -1.552 -9.215 1.00 0.00 H new ATOM 0 HG23 ILE A 58 7.410 -0.603 -8.124 1.00 0.00 H new ATOM 0 HD11 ILE A 58 5.056 0.626 -4.924 1.00 0.00 H new ATOM 0 HD12 ILE A 58 4.015 -0.348 -5.989 1.00 0.00 H new ATOM 0 HD13 ILE A 58 5.719 -0.803 -5.752 1.00 0.00 H new ATOM 906 N PRO A 59 6.562 0.011 -11.432 1.00 0.00 N ATOM 907 CA PRO A 59 6.454 -0.805 -12.641 1.00 0.00 C ATOM 908 C PRO A 59 5.769 -2.117 -12.345 1.00 0.00 C ATOM 909 O PRO A 59 6.110 -2.822 -11.378 1.00 0.00 O ATOM 910 CB PRO A 59 7.896 -1.051 -13.045 1.00 0.00 C ATOM 911 CG PRO A 59 8.641 0.072 -12.454 1.00 0.00 C ATOM 912 CD PRO A 59 7.953 0.403 -11.163 1.00 0.00 C ATOM 0 HA PRO A 59 5.867 -0.318 -13.420 1.00 0.00 H new ATOM 0 HB2 PRO A 59 8.256 -2.008 -12.668 1.00 0.00 H new ATOM 0 HB3 PRO A 59 8.006 -1.074 -14.129 1.00 0.00 H new ATOM 0 HG2 PRO A 59 9.682 -0.201 -12.281 1.00 0.00 H new ATOM 0 HG3 PRO A 59 8.644 0.932 -13.124 1.00 0.00 H new ATOM 0 HD2 PRO A 59 8.376 -0.151 -10.325 1.00 0.00 H new ATOM 0 HD3 PRO A 59 8.036 1.462 -10.919 1.00 0.00 H new ATOM 920 N VAL A 60 4.820 -2.443 -13.182 1.00 0.00 N ATOM 921 CA VAL A 60 4.059 -3.648 -13.078 1.00 0.00 C ATOM 922 C VAL A 60 4.893 -4.892 -13.244 1.00 0.00 C ATOM 923 O VAL A 60 4.429 -5.976 -12.983 1.00 0.00 O ATOM 924 CB VAL A 60 2.920 -3.681 -14.126 1.00 0.00 C ATOM 925 CG1 VAL A 60 1.928 -2.583 -13.855 1.00 0.00 C ATOM 926 CG2 VAL A 60 3.438 -3.582 -15.537 1.00 0.00 C ATOM 0 H VAL A 60 4.552 -1.859 -13.974 1.00 0.00 H new ATOM 0 HA VAL A 60 3.648 -3.644 -12.069 1.00 0.00 H new ATOM 0 HB VAL A 60 2.423 -4.647 -14.032 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.133 -2.619 -14.600 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.500 -2.716 -12.861 1.00 0.00 H new ATOM 0 HG13 VAL A 60 2.431 -1.617 -13.907 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.601 -3.610 -16.235 1.00 0.00 H new ATOM 0 HG22 VAL A 60 3.982 -2.646 -15.660 1.00 0.00 H new ATOM 0 HG23 VAL A 60 4.106 -4.419 -15.739 1.00 0.00 H new ATOM 936 N ASP A 61 6.143 -4.729 -13.663 1.00 0.00 N ATOM 937 CA ASP A 61 7.037 -5.870 -13.833 1.00 0.00 C ATOM 938 C ASP A 61 7.423 -6.464 -12.500 1.00 0.00 C ATOM 939 O ASP A 61 7.922 -7.582 -12.428 1.00 0.00 O ATOM 940 CB ASP A 61 8.290 -5.537 -14.662 1.00 0.00 C ATOM 941 CG ASP A 61 8.000 -5.357 -16.134 1.00 0.00 C ATOM 942 OD1 ASP A 61 7.809 -6.370 -16.847 1.00 0.00 O ATOM 943 OD2 ASP A 61 7.948 -4.197 -16.619 1.00 0.00 O ATOM 0 H ASP A 61 6.559 -3.826 -13.890 1.00 0.00 H new ATOM 0 HA ASP A 61 6.475 -6.613 -14.399 1.00 0.00 H new ATOM 0 HB2 ASP A 61 8.743 -4.625 -14.273 1.00 0.00 H new ATOM 0 HB3 ASP A 61 9.022 -6.335 -14.538 1.00 0.00 H new ATOM 948 N LYS A 62 7.159 -5.718 -11.442 1.00 0.00 N ATOM 949 CA LYS A 62 7.447 -6.139 -10.111 1.00 0.00 C ATOM 950 C LYS A 62 6.315 -6.975 -9.505 1.00 0.00 C ATOM 951 O LYS A 62 6.457 -7.497 -8.414 1.00 0.00 O ATOM 952 CB LYS A 62 7.720 -4.938 -9.271 1.00 0.00 C ATOM 953 CG LYS A 62 8.893 -4.142 -9.775 1.00 0.00 C ATOM 954 CD LYS A 62 9.304 -3.175 -8.750 1.00 0.00 C ATOM 955 CE LYS A 62 10.347 -2.182 -9.258 1.00 0.00 C ATOM 956 NZ LYS A 62 11.593 -2.827 -9.724 1.00 0.00 N ATOM 0 H LYS A 62 6.733 -4.793 -11.500 1.00 0.00 H new ATOM 0 HA LYS A 62 8.326 -6.783 -10.140 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.835 -4.303 -9.251 1.00 0.00 H new ATOM 0 HB3 LYS A 62 7.911 -5.251 -8.245 1.00 0.00 H new ATOM 0 HG2 LYS A 62 9.722 -4.808 -10.015 1.00 0.00 H new ATOM 0 HG3 LYS A 62 8.625 -3.622 -10.695 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.428 -2.628 -8.401 1.00 0.00 H new ATOM 0 HD3 LYS A 62 9.708 -3.712 -7.892 1.00 0.00 H new ATOM 0 HE2 LYS A 62 9.918 -1.603 -10.076 1.00 0.00 H new ATOM 0 HE3 LYS A 62 10.587 -1.479 -8.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 12.277 -2.097 -10.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 11.996 -3.399 -8.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 11.383 -3.440 -10.538 1.00 0.00 H new ATOM 970 N VAL A 63 5.171 -7.052 -10.231 1.00 0.00 N ATOM 971 CA VAL A 63 3.937 -7.856 -9.889 1.00 0.00 C ATOM 972 C VAL A 63 4.315 -9.280 -9.460 1.00 0.00 C ATOM 973 O VAL A 63 3.673 -9.892 -8.604 1.00 0.00 O ATOM 974 CB VAL A 63 3.058 -7.867 -11.187 1.00 0.00 C ATOM 975 CG1 VAL A 63 3.445 -8.858 -12.271 1.00 0.00 C ATOM 976 CG2 VAL A 63 1.618 -8.027 -10.836 1.00 0.00 C ATOM 0 H VAL A 63 5.064 -6.541 -11.107 1.00 0.00 H new ATOM 0 HA VAL A 63 3.394 -7.420 -9.051 1.00 0.00 H new ATOM 0 HB VAL A 63 3.252 -6.894 -11.639 1.00 0.00 H new ATOM 0 HG11 VAL A 63 2.759 -8.763 -13.112 1.00 0.00 H new ATOM 0 HG12 VAL A 63 4.461 -8.652 -12.607 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.393 -9.871 -11.873 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.020 -8.033 -11.747 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.476 -8.967 -10.303 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.304 -7.198 -10.201 1.00 0.00 H new ATOM 986 N SER A 64 5.384 -9.746 -10.054 1.00 0.00 N ATOM 987 CA SER A 64 6.029 -11.001 -9.772 1.00 0.00 C ATOM 988 C SER A 64 6.372 -11.126 -8.285 1.00 0.00 C ATOM 989 O SER A 64 6.044 -12.109 -7.627 1.00 0.00 O ATOM 990 CB SER A 64 7.351 -10.978 -10.537 1.00 0.00 C ATOM 991 OG SER A 64 7.948 -9.690 -10.424 1.00 0.00 O ATOM 0 H SER A 64 5.856 -9.226 -10.794 1.00 0.00 H new ATOM 0 HA SER A 64 5.373 -11.825 -10.053 1.00 0.00 H new ATOM 0 HB2 SER A 64 8.025 -11.738 -10.141 1.00 0.00 H new ATOM 0 HB3 SER A 64 7.180 -11.219 -11.586 1.00 0.00 H new ATOM 0 HG SER A 64 7.788 -9.182 -11.247 1.00 0.00 H new ATOM 997 N SER A 65 6.998 -10.103 -7.779 1.00 0.00 N ATOM 998 CA SER A 65 7.494 -10.053 -6.457 1.00 0.00 C ATOM 999 C SER A 65 6.503 -9.361 -5.532 1.00 0.00 C ATOM 1000 O SER A 65 6.832 -9.094 -4.393 1.00 0.00 O ATOM 1001 CB SER A 65 8.841 -9.284 -6.438 1.00 0.00 C ATOM 1002 OG SER A 65 9.457 -9.308 -5.145 1.00 0.00 O ATOM 0 H SER A 65 7.178 -9.250 -8.309 1.00 0.00 H new ATOM 0 HA SER A 65 7.643 -11.074 -6.105 1.00 0.00 H new ATOM 0 HB2 SER A 65 9.519 -9.723 -7.170 1.00 0.00 H new ATOM 0 HB3 SER A 65 8.672 -8.250 -6.739 1.00 0.00 H new ATOM 0 HG SER A 65 8.766 -9.257 -4.452 1.00 0.00 H new ATOM 1008 N TYR A 66 5.313 -9.084 -5.982 1.00 0.00 N ATOM 1009 CA TYR A 66 4.370 -8.407 -5.138 1.00 0.00 C ATOM 1010 C TYR A 66 3.255 -9.305 -4.723 1.00 0.00 C ATOM 1011 O TYR A 66 2.762 -10.127 -5.506 1.00 0.00 O ATOM 1012 CB TYR A 66 3.855 -7.104 -5.733 1.00 0.00 C ATOM 1013 CG TYR A 66 4.713 -5.906 -5.402 1.00 0.00 C ATOM 1014 CD1 TYR A 66 5.778 -5.530 -6.186 1.00 0.00 C ATOM 1015 CD2 TYR A 66 4.443 -5.158 -4.277 1.00 0.00 C ATOM 1016 CE1 TYR A 66 6.548 -4.434 -5.854 1.00 0.00 C ATOM 1017 CE2 TYR A 66 5.195 -4.070 -3.935 1.00 0.00 C ATOM 1018 CZ TYR A 66 6.242 -3.703 -4.716 1.00 0.00 C ATOM 1019 OH TYR A 66 7.005 -2.610 -4.351 1.00 0.00 O ATOM 0 H TYR A 66 4.975 -9.313 -6.917 1.00 0.00 H new ATOM 0 HA TYR A 66 4.920 -8.127 -4.240 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.794 -7.208 -6.816 1.00 0.00 H new ATOM 0 HB3 TYR A 66 2.842 -6.925 -5.373 1.00 0.00 H new ATOM 0 HD1 TYR A 66 6.015 -6.099 -7.073 1.00 0.00 H new ATOM 0 HD2 TYR A 66 3.612 -5.440 -3.647 1.00 0.00 H new ATOM 0 HE1 TYR A 66 7.383 -4.148 -6.476 1.00 0.00 H new ATOM 0 HE2 TYR A 66 4.957 -3.504 -3.046 1.00 0.00 H new ATOM 0 HH TYR A 66 6.869 -2.419 -3.400 1.00 0.00 H new ATOM 1029 N ALA A 67 2.874 -9.165 -3.489 1.00 0.00 N ATOM 1030 CA ALA A 67 1.856 -9.962 -2.916 1.00 0.00 C ATOM 1031 C ALA A 67 1.108 -9.172 -1.893 1.00 0.00 C ATOM 1032 O ALA A 67 1.662 -8.260 -1.271 1.00 0.00 O ATOM 1033 CB ALA A 67 2.441 -11.198 -2.275 1.00 0.00 C ATOM 0 H ALA A 67 3.275 -8.479 -2.849 1.00 0.00 H new ATOM 0 HA ALA A 67 1.174 -10.270 -3.708 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.640 -11.796 -1.841 1.00 0.00 H new ATOM 0 HB2 ALA A 67 2.965 -11.786 -3.029 1.00 0.00 H new ATOM 0 HB3 ALA A 67 3.141 -10.905 -1.492 1.00 0.00 H new ATOM 1039 N LEU A 68 -0.142 -9.496 -1.761 1.00 0.00 N ATOM 1040 CA LEU A 68 -0.997 -8.923 -0.778 1.00 0.00 C ATOM 1041 C LEU A 68 -0.834 -9.701 0.508 1.00 0.00 C ATOM 1042 O LEU A 68 -0.941 -10.921 0.504 1.00 0.00 O ATOM 1043 CB LEU A 68 -2.438 -9.046 -1.268 1.00 0.00 C ATOM 1044 CG LEU A 68 -2.757 -8.336 -2.589 1.00 0.00 C ATOM 1045 CD1 LEU A 68 -4.156 -8.675 -3.031 1.00 0.00 C ATOM 1046 CD2 LEU A 68 -2.606 -6.824 -2.446 1.00 0.00 C ATOM 0 H LEU A 68 -0.604 -10.186 -2.353 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.750 -7.875 -0.609 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.675 -10.104 -1.380 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -3.099 -8.651 -0.496 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.049 -8.680 -3.342 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.374 -8.166 -3.970 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.242 -9.752 -3.173 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.866 -8.352 -2.270 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.838 -6.344 -3.397 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.291 -6.461 -1.680 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.582 -6.586 -2.160 1.00 0.00 H new ATOM 1058 N GLN A 69 -0.537 -9.029 1.563 1.00 0.00 N ATOM 1059 CA GLN A 69 -0.348 -9.656 2.856 1.00 0.00 C ATOM 1060 C GLN A 69 -1.437 -9.223 3.835 1.00 0.00 C ATOM 1061 O GLN A 69 -1.982 -8.123 3.726 1.00 0.00 O ATOM 1062 CB GLN A 69 1.067 -9.320 3.415 1.00 0.00 C ATOM 1063 CG GLN A 69 1.255 -9.605 4.909 1.00 0.00 C ATOM 1064 CD GLN A 69 2.584 -9.152 5.471 1.00 0.00 C ATOM 1065 OE1 GLN A 69 2.739 -8.000 5.876 1.00 0.00 O ATOM 1066 NE2 GLN A 69 3.518 -10.050 5.587 1.00 0.00 N ATOM 0 H GLN A 69 -0.413 -8.017 1.570 1.00 0.00 H new ATOM 0 HA GLN A 69 -0.423 -10.736 2.731 1.00 0.00 H new ATOM 0 HB2 GLN A 69 1.808 -9.891 2.855 1.00 0.00 H new ATOM 0 HB3 GLN A 69 1.273 -8.265 3.232 1.00 0.00 H new ATOM 0 HG2 GLN A 69 0.454 -9.115 5.463 1.00 0.00 H new ATOM 0 HG3 GLN A 69 1.150 -10.677 5.078 1.00 0.00 H new ATOM 0 HE21 GLN A 69 3.361 -10.997 5.242 1.00 0.00 H new ATOM 0 HE22 GLN A 69 4.408 -9.807 6.023 1.00 0.00 H new ATOM 1075 N ASN A 70 -1.772 -10.117 4.735 1.00 0.00 N ATOM 1076 CA ASN A 70 -2.692 -9.847 5.823 1.00 0.00 C ATOM 1077 C ASN A 70 -1.919 -9.146 6.945 1.00 0.00 C ATOM 1078 O ASN A 70 -0.860 -9.623 7.345 1.00 0.00 O ATOM 1079 CB ASN A 70 -3.225 -11.157 6.382 1.00 0.00 C ATOM 1080 CG ASN A 70 -4.248 -10.955 7.497 1.00 0.00 C ATOM 1081 OD1 ASN A 70 -3.884 -10.799 8.663 1.00 0.00 O ATOM 1082 ND2 ASN A 70 -5.507 -10.977 7.169 1.00 0.00 N ATOM 0 H ASN A 70 -1.408 -11.070 4.735 1.00 0.00 H new ATOM 0 HA ASN A 70 -3.514 -9.231 5.458 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -3.682 -11.731 5.576 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -2.393 -11.749 6.762 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -6.223 -10.863 7.886 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -5.778 -11.108 6.194 1.00 0.00 H new ATOM 1089 N PRO A 71 -2.441 -8.049 7.494 1.00 0.00 N ATOM 1090 CA PRO A 71 -1.745 -7.274 8.539 1.00 0.00 C ATOM 1091 C PRO A 71 -1.571 -7.998 9.891 1.00 0.00 C ATOM 1092 O PRO A 71 -0.721 -7.599 10.707 1.00 0.00 O ATOM 1093 CB PRO A 71 -2.630 -6.050 8.718 1.00 0.00 C ATOM 1094 CG PRO A 71 -3.980 -6.481 8.256 1.00 0.00 C ATOM 1095 CD PRO A 71 -3.738 -7.439 7.134 1.00 0.00 C ATOM 0 HA PRO A 71 -0.721 -7.068 8.228 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -2.653 -5.728 9.759 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -2.262 -5.208 8.132 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -4.537 -6.957 9.064 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -4.570 -5.628 7.922 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -4.529 -8.185 7.062 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -3.692 -6.930 6.171 1.00 0.00 H new ATOM 1103 N PHE A 72 -2.339 -9.038 10.149 1.00 0.00 N ATOM 1104 CA PHE A 72 -2.238 -9.690 11.431 1.00 0.00 C ATOM 1105 C PHE A 72 -1.499 -10.998 11.342 1.00 0.00 C ATOM 1106 O PHE A 72 -0.646 -11.300 12.169 1.00 0.00 O ATOM 1107 CB PHE A 72 -3.598 -9.951 12.067 1.00 0.00 C ATOM 1108 CG PHE A 72 -4.416 -8.731 12.379 1.00 0.00 C ATOM 1109 CD1 PHE A 72 -4.241 -8.047 13.569 1.00 0.00 C ATOM 1110 CD2 PHE A 72 -5.377 -8.281 11.486 1.00 0.00 C ATOM 1111 CE1 PHE A 72 -5.005 -6.937 13.864 1.00 0.00 C ATOM 1112 CE2 PHE A 72 -6.145 -7.173 11.776 1.00 0.00 C ATOM 1113 CZ PHE A 72 -5.959 -6.499 12.968 1.00 0.00 C ATOM 0 H PHE A 72 -3.021 -9.438 9.505 1.00 0.00 H new ATOM 0 HA PHE A 72 -1.681 -8.995 12.059 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -4.174 -10.591 11.399 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -3.445 -10.510 12.991 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -3.498 -8.386 14.275 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -5.526 -8.804 10.553 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -4.857 -6.411 14.796 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -6.891 -6.833 11.073 1.00 0.00 H new ATOM 0 HZ PHE A 72 -6.559 -5.631 13.198 1.00 0.00 H new ATOM 1123 N THR A 73 -1.822 -11.761 10.352 1.00 0.00 N ATOM 1124 CA THR A 73 -1.295 -13.103 10.220 1.00 0.00 C ATOM 1125 C THR A 73 0.004 -13.109 9.437 1.00 0.00 C ATOM 1126 O THR A 73 0.794 -14.069 9.520 1.00 0.00 O ATOM 1127 CB THR A 73 -2.305 -13.985 9.506 1.00 0.00 C ATOM 1128 OG1 THR A 73 -2.473 -13.507 8.160 1.00 0.00 O ATOM 1129 CG2 THR A 73 -3.641 -13.940 10.218 1.00 0.00 C ATOM 0 H THR A 73 -2.458 -11.484 9.604 1.00 0.00 H new ATOM 0 HA THR A 73 -1.102 -13.486 11.222 1.00 0.00 H new ATOM 0 HB THR A 73 -1.941 -15.012 9.501 1.00 0.00 H new ATOM 0 HG1 THR A 73 -3.122 -14.072 7.691 1.00 0.00 H new ATOM 0 HG21 THR A 73 -4.354 -14.577 9.694 1.00 0.00 H new ATOM 0 HG22 THR A 73 -3.520 -14.296 11.241 1.00 0.00 H new ATOM 0 HG23 THR A 73 -4.012 -12.915 10.231 1.00 0.00 H new ATOM 1137 N LEU A 74 0.213 -12.038 8.671 1.00 0.00 N ATOM 1138 CA LEU A 74 1.375 -11.862 7.810 1.00 0.00 C ATOM 1139 C LEU A 74 1.361 -12.828 6.652 1.00 0.00 C ATOM 1140 O LEU A 74 2.368 -13.001 5.953 1.00 0.00 O ATOM 1141 CB LEU A 74 2.690 -11.935 8.591 1.00 0.00 C ATOM 1142 CG LEU A 74 2.814 -10.956 9.720 1.00 0.00 C ATOM 1143 CD1 LEU A 74 4.244 -10.812 10.137 1.00 0.00 C ATOM 1144 CD2 LEU A 74 2.170 -9.624 9.384 1.00 0.00 C ATOM 0 H LEU A 74 -0.437 -11.253 8.634 1.00 0.00 H new ATOM 0 HA LEU A 74 1.310 -10.856 7.396 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.802 -12.943 8.991 1.00 0.00 H new ATOM 0 HB3 LEU A 74 3.516 -11.773 7.898 1.00 0.00 H new ATOM 0 HG LEU A 74 2.264 -11.350 10.574 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.314 -10.098 10.957 1.00 0.00 H new ATOM 0 HD12 LEU A 74 4.627 -11.779 10.464 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.835 -10.455 9.294 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.281 -8.943 10.228 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.655 -9.197 8.506 1.00 0.00 H new ATOM 0 HD23 LEU A 74 1.111 -9.774 9.176 1.00 0.00 H new ATOM 1156 N ALA A 75 0.200 -13.411 6.401 1.00 0.00 N ATOM 1157 CA ALA A 75 0.065 -14.342 5.329 1.00 0.00 C ATOM 1158 C ALA A 75 -0.050 -13.618 4.033 1.00 0.00 C ATOM 1159 O ALA A 75 -0.708 -12.570 3.951 1.00 0.00 O ATOM 1160 CB ALA A 75 -1.137 -15.216 5.529 1.00 0.00 C ATOM 0 H ALA A 75 -0.654 -13.246 6.934 1.00 0.00 H new ATOM 0 HA ALA A 75 0.954 -14.973 5.312 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -1.219 -15.918 4.699 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -1.033 -15.769 6.463 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.034 -14.598 5.571 1.00 0.00 H new ATOM 1166 N TYR A 76 0.598 -14.140 3.044 1.00 0.00 N ATOM 1167 CA TYR A 76 0.570 -13.575 1.737 1.00 0.00 C ATOM 1168 C TYR A 76 -0.412 -14.312 0.891 1.00 0.00 C ATOM 1169 O TYR A 76 -0.659 -15.501 1.091 1.00 0.00 O ATOM 1170 CB TYR A 76 1.925 -13.611 1.097 1.00 0.00 C ATOM 1171 CG TYR A 76 2.894 -12.629 1.658 1.00 0.00 C ATOM 1172 CD1 TYR A 76 3.685 -12.936 2.739 1.00 0.00 C ATOM 1173 CD2 TYR A 76 3.036 -11.406 1.063 1.00 0.00 C ATOM 1174 CE1 TYR A 76 4.606 -12.024 3.216 1.00 0.00 C ATOM 1175 CE2 TYR A 76 3.949 -10.486 1.505 1.00 0.00 C ATOM 1176 CZ TYR A 76 4.741 -10.802 2.590 1.00 0.00 C ATOM 1177 OH TYR A 76 5.659 -9.895 3.057 1.00 0.00 O ATOM 0 H TYR A 76 1.169 -14.982 3.123 1.00 0.00 H new ATOM 0 HA TYR A 76 0.268 -12.531 1.824 1.00 0.00 H new ATOM 0 HB2 TYR A 76 2.338 -14.614 1.205 1.00 0.00 H new ATOM 0 HB3 TYR A 76 1.814 -13.425 0.029 1.00 0.00 H new ATOM 0 HD1 TYR A 76 3.586 -13.898 3.219 1.00 0.00 H new ATOM 0 HD2 TYR A 76 2.409 -11.158 0.219 1.00 0.00 H new ATOM 0 HE1 TYR A 76 5.217 -12.266 4.073 1.00 0.00 H new ATOM 0 HE2 TYR A 76 4.048 -9.530 1.013 1.00 0.00 H new ATOM 0 HH TYR A 76 5.868 -9.248 2.351 1.00 0.00 H new ATOM 1187 N VAL A 77 -1.010 -13.611 0.013 1.00 0.00 N ATOM 1188 CA VAL A 77 -1.924 -14.174 -0.911 1.00 0.00 C ATOM 1189 C VAL A 77 -1.154 -14.747 -2.107 1.00 0.00 C ATOM 1190 O VAL A 77 -0.645 -14.003 -2.953 1.00 0.00 O ATOM 1191 CB VAL A 77 -2.972 -13.096 -1.356 1.00 0.00 C ATOM 1192 CG1 VAL A 77 -3.914 -13.629 -2.424 1.00 0.00 C ATOM 1193 CG2 VAL A 77 -3.782 -12.614 -0.141 1.00 0.00 C ATOM 0 H VAL A 77 -0.879 -12.605 -0.091 1.00 0.00 H new ATOM 0 HA VAL A 77 -2.473 -14.989 -0.440 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.420 -12.259 -1.785 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.624 -12.851 -2.704 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -3.339 -13.928 -3.300 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -4.456 -14.491 -2.034 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.507 -11.866 -0.461 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.306 -13.459 0.306 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -3.108 -12.175 0.595 1.00 0.00 H new ATOM 1203 N GLU A 78 -1.072 -16.072 -2.150 1.00 0.00 N ATOM 1204 CA GLU A 78 -0.418 -16.814 -3.222 1.00 0.00 C ATOM 1205 C GLU A 78 -1.444 -17.337 -4.179 1.00 0.00 C ATOM 1206 O GLU A 78 -1.150 -18.132 -5.073 1.00 0.00 O ATOM 1207 CB GLU A 78 0.436 -17.965 -2.700 1.00 0.00 C ATOM 1208 CG GLU A 78 1.910 -17.665 -2.421 1.00 0.00 C ATOM 1209 CD GLU A 78 2.187 -16.492 -1.535 1.00 0.00 C ATOM 1210 OE1 GLU A 78 2.244 -16.663 -0.308 1.00 0.00 O ATOM 1211 OE2 GLU A 78 2.479 -15.401 -2.074 1.00 0.00 O ATOM 0 H GLU A 78 -1.466 -16.673 -1.426 1.00 0.00 H new ATOM 0 HA GLU A 78 0.250 -16.121 -3.732 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -0.016 -18.331 -1.778 1.00 0.00 H new ATOM 0 HB3 GLU A 78 0.387 -18.779 -3.424 1.00 0.00 H new ATOM 0 HG2 GLU A 78 2.361 -18.549 -1.970 1.00 0.00 H new ATOM 0 HG3 GLU A 78 2.413 -17.501 -3.374 1.00 0.00 H new ATOM 1218 N ASP A 79 -2.639 -16.865 -3.991 1.00 0.00 N ATOM 1219 CA ASP A 79 -3.753 -17.198 -4.786 1.00 0.00 C ATOM 1220 C ASP A 79 -3.639 -16.510 -6.108 1.00 0.00 C ATOM 1221 O ASP A 79 -2.976 -15.476 -6.243 1.00 0.00 O ATOM 1222 CB ASP A 79 -5.051 -16.704 -4.134 1.00 0.00 C ATOM 1223 CG ASP A 79 -5.284 -17.220 -2.718 1.00 0.00 C ATOM 1224 OD1 ASP A 79 -4.602 -16.752 -1.784 1.00 0.00 O ATOM 1225 OD2 ASP A 79 -6.173 -18.084 -2.518 1.00 0.00 O ATOM 0 H ASP A 79 -2.861 -16.209 -3.242 1.00 0.00 H new ATOM 0 HA ASP A 79 -3.776 -18.282 -4.898 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -5.040 -15.614 -4.113 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -5.893 -17.002 -4.759 1.00 0.00 H new ATOM 1230 N SER A 80 -4.250 -17.094 -7.064 1.00 0.00 N ATOM 1231 CA SER A 80 -4.343 -16.561 -8.363 1.00 0.00 C ATOM 1232 C SER A 80 -5.469 -15.567 -8.433 1.00 0.00 C ATOM 1233 O SER A 80 -5.380 -14.531 -9.086 1.00 0.00 O ATOM 1234 CB SER A 80 -4.601 -17.676 -9.297 1.00 0.00 C ATOM 1235 OG SER A 80 -3.566 -18.645 -9.231 1.00 0.00 O ATOM 0 H SER A 80 -4.718 -17.994 -6.958 1.00 0.00 H new ATOM 0 HA SER A 80 -3.417 -16.051 -8.627 1.00 0.00 H new ATOM 0 HB2 SER A 80 -5.556 -18.142 -9.057 1.00 0.00 H new ATOM 0 HB3 SER A 80 -4.680 -17.292 -10.314 1.00 0.00 H new ATOM 0 HG SER A 80 -3.760 -19.374 -9.857 1.00 0.00 H new ATOM 1241 N PHE A 81 -6.522 -15.890 -7.759 1.00 0.00 N ATOM 1242 CA PHE A 81 -7.673 -15.083 -7.676 1.00 0.00 C ATOM 1243 C PHE A 81 -8.056 -14.954 -6.232 1.00 0.00 C ATOM 1244 O PHE A 81 -7.830 -15.872 -5.441 1.00 0.00 O ATOM 1245 CB PHE A 81 -8.798 -15.722 -8.442 1.00 0.00 C ATOM 1246 CG PHE A 81 -8.675 -15.640 -9.932 1.00 0.00 C ATOM 1247 CD1 PHE A 81 -7.800 -16.466 -10.608 1.00 0.00 C ATOM 1248 CD2 PHE A 81 -9.436 -14.742 -10.656 1.00 0.00 C ATOM 1249 CE1 PHE A 81 -7.676 -16.395 -11.978 1.00 0.00 C ATOM 1250 CE2 PHE A 81 -9.322 -14.666 -12.029 1.00 0.00 C ATOM 1251 CZ PHE A 81 -8.443 -15.492 -12.690 1.00 0.00 C ATOM 0 H PHE A 81 -6.598 -16.761 -7.233 1.00 0.00 H new ATOM 0 HA PHE A 81 -7.472 -14.100 -8.101 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -8.863 -16.772 -8.155 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -9.735 -15.251 -8.143 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -7.205 -17.178 -10.055 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -10.128 -14.092 -10.141 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -6.982 -17.042 -12.494 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -9.922 -13.959 -12.583 1.00 0.00 H new ATOM 0 HZ PHE A 81 -8.352 -15.435 -13.765 1.00 0.00 H new ATOM 1261 N LEU A 82 -8.622 -13.848 -5.896 1.00 0.00 N ATOM 1262 CA LEU A 82 -9.061 -13.583 -4.555 1.00 0.00 C ATOM 1263 C LEU A 82 -10.384 -14.241 -4.316 1.00 0.00 C ATOM 1264 O LEU A 82 -11.116 -14.567 -5.255 1.00 0.00 O ATOM 1265 CB LEU A 82 -9.201 -12.086 -4.357 1.00 0.00 C ATOM 1266 CG LEU A 82 -7.893 -11.358 -4.073 1.00 0.00 C ATOM 1267 CD1 LEU A 82 -8.106 -9.864 -4.028 1.00 0.00 C ATOM 1268 CD2 LEU A 82 -7.311 -11.851 -2.747 1.00 0.00 C ATOM 0 H LEU A 82 -8.799 -13.085 -6.549 1.00 0.00 H new ATOM 0 HA LEU A 82 -8.329 -13.979 -3.852 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -9.654 -11.656 -5.250 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -9.889 -11.905 -3.531 1.00 0.00 H new ATOM 0 HG LEU A 82 -7.191 -11.573 -4.879 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -7.158 -9.367 -3.824 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -8.495 -9.523 -4.987 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -8.819 -9.622 -3.240 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -6.375 -11.330 -2.544 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -8.019 -11.652 -1.942 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -7.123 -12.923 -2.808 1.00 0.00 H new ATOM 1280 N THR A 83 -10.667 -14.463 -3.090 1.00 0.00 N ATOM 1281 CA THR A 83 -11.905 -14.994 -2.699 1.00 0.00 C ATOM 1282 C THR A 83 -12.640 -13.897 -1.979 1.00 0.00 C ATOM 1283 O THR A 83 -11.987 -12.974 -1.452 1.00 0.00 O ATOM 1284 CB THR A 83 -11.723 -16.199 -1.751 1.00 0.00 C ATOM 1285 OG1 THR A 83 -10.938 -15.803 -0.617 1.00 0.00 O ATOM 1286 CG2 THR A 83 -11.031 -17.343 -2.457 1.00 0.00 C ATOM 0 H THR A 83 -10.028 -14.275 -2.317 1.00 0.00 H new ATOM 0 HA THR A 83 -12.454 -15.345 -3.572 1.00 0.00 H new ATOM 0 HB THR A 83 -12.709 -16.532 -1.428 1.00 0.00 H new ATOM 0 HG1 THR A 83 -10.689 -16.596 -0.098 1.00 0.00 H new ATOM 0 HG21 THR A 83 -10.915 -18.179 -1.767 1.00 0.00 H new ATOM 0 HG22 THR A 83 -11.629 -17.658 -3.312 1.00 0.00 H new ATOM 0 HG23 THR A 83 -10.049 -17.018 -2.801 1.00 0.00 H new ATOM 1294 N PRO A 84 -13.974 -13.922 -1.963 1.00 0.00 N ATOM 1295 CA PRO A 84 -14.746 -12.979 -1.165 1.00 0.00 C ATOM 1296 C PRO A 84 -14.312 -13.051 0.301 1.00 0.00 C ATOM 1297 O PRO A 84 -14.320 -12.056 1.003 1.00 0.00 O ATOM 1298 CB PRO A 84 -16.192 -13.448 -1.336 1.00 0.00 C ATOM 1299 CG PRO A 84 -16.196 -14.182 -2.634 1.00 0.00 C ATOM 1300 CD PRO A 84 -14.840 -14.822 -2.752 1.00 0.00 C ATOM 0 HA PRO A 84 -14.610 -11.943 -1.474 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -16.499 -14.094 -0.514 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -16.883 -12.605 -1.355 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -16.985 -14.933 -2.655 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -16.381 -13.502 -3.466 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -14.837 -15.836 -2.353 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -14.514 -14.887 -3.790 1.00 0.00 H new ATOM 1308 N GLU A 85 -13.907 -14.245 0.728 1.00 0.00 N ATOM 1309 CA GLU A 85 -13.388 -14.487 2.046 1.00 0.00 C ATOM 1310 C GLU A 85 -12.164 -13.626 2.310 1.00 0.00 C ATOM 1311 O GLU A 85 -12.116 -12.923 3.306 1.00 0.00 O ATOM 1312 CB GLU A 85 -13.028 -15.966 2.255 1.00 0.00 C ATOM 1313 CG GLU A 85 -14.165 -16.960 2.038 1.00 0.00 C ATOM 1314 CD GLU A 85 -14.428 -17.253 0.585 1.00 0.00 C ATOM 1315 OE1 GLU A 85 -15.212 -16.536 -0.050 1.00 0.00 O ATOM 1316 OE2 GLU A 85 -13.837 -18.210 0.051 1.00 0.00 O ATOM 0 H GLU A 85 -13.937 -15.081 0.144 1.00 0.00 H new ATOM 0 HA GLU A 85 -14.176 -14.223 2.751 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -12.212 -16.222 1.579 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -12.651 -16.089 3.270 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -13.928 -17.891 2.553 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -15.074 -16.567 2.493 1.00 0.00 H new ATOM 1323 N ARG A 86 -11.191 -13.659 1.386 1.00 0.00 N ATOM 1324 CA ARG A 86 -9.978 -12.872 1.526 1.00 0.00 C ATOM 1325 C ARG A 86 -10.298 -11.412 1.573 1.00 0.00 C ATOM 1326 O ARG A 86 -9.687 -10.671 2.321 1.00 0.00 O ATOM 1327 CB ARG A 86 -8.970 -13.136 0.430 1.00 0.00 C ATOM 1328 CG ARG A 86 -8.351 -14.517 0.403 1.00 0.00 C ATOM 1329 CD ARG A 86 -7.690 -14.890 1.716 1.00 0.00 C ATOM 1330 NE ARG A 86 -6.548 -14.050 2.084 1.00 0.00 N ATOM 1331 CZ ARG A 86 -6.281 -13.673 3.348 1.00 0.00 C ATOM 1332 NH1 ARG A 86 -7.259 -13.586 4.258 1.00 0.00 N ATOM 1333 NH2 ARG A 86 -5.049 -13.328 3.683 1.00 0.00 N ATOM 0 H ARG A 86 -11.230 -14.225 0.538 1.00 0.00 H new ATOM 0 HA ARG A 86 -9.522 -13.182 2.467 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -9.455 -12.960 -0.530 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -8.168 -12.404 0.520 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -9.122 -15.251 0.168 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -7.612 -14.563 -0.397 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -8.434 -14.837 2.510 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -7.358 -15.927 1.659 1.00 0.00 H new ATOM 0 HE ARG A 86 -5.922 -13.734 1.343 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -8.220 -13.807 3.997 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -7.043 -13.299 5.213 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -4.306 -13.348 2.985 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -4.842 -13.042 4.640 1.00 0.00 H new ATOM 1347 N LEU A 87 -11.267 -11.018 0.781 1.00 0.00 N ATOM 1348 CA LEU A 87 -11.722 -9.660 0.736 1.00 0.00 C ATOM 1349 C LEU A 87 -12.308 -9.253 2.082 1.00 0.00 C ATOM 1350 O LEU A 87 -11.950 -8.226 2.637 1.00 0.00 O ATOM 1351 CB LEU A 87 -12.755 -9.502 -0.368 1.00 0.00 C ATOM 1352 CG LEU A 87 -12.313 -9.821 -1.773 1.00 0.00 C ATOM 1353 CD1 LEU A 87 -13.434 -9.530 -2.762 1.00 0.00 C ATOM 1354 CD2 LEU A 87 -11.101 -9.018 -2.100 1.00 0.00 C ATOM 0 H LEU A 87 -11.763 -11.643 0.145 1.00 0.00 H new ATOM 0 HA LEU A 87 -10.876 -9.007 0.522 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -13.606 -10.139 -0.128 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -13.113 -8.473 -0.352 1.00 0.00 H new ATOM 0 HG LEU A 87 -12.070 -10.881 -1.844 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -13.098 -9.766 -3.772 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -14.303 -10.140 -2.517 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -13.704 -8.475 -2.706 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -10.777 -9.245 -3.116 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -11.336 -7.956 -2.023 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -10.302 -9.264 -1.401 1.00 0.00 H new ATOM 1366 N VAL A 88 -13.180 -10.080 2.597 1.00 0.00 N ATOM 1367 CA VAL A 88 -13.819 -9.864 3.850 1.00 0.00 C ATOM 1368 C VAL A 88 -12.871 -9.838 5.021 1.00 0.00 C ATOM 1369 O VAL A 88 -12.960 -8.959 5.901 1.00 0.00 O ATOM 1370 CB VAL A 88 -15.002 -10.837 3.995 1.00 0.00 C ATOM 1371 CG1 VAL A 88 -15.448 -10.859 5.399 1.00 0.00 C ATOM 1372 CG2 VAL A 88 -16.166 -10.570 3.081 1.00 0.00 C ATOM 0 H VAL A 88 -13.467 -10.944 2.136 1.00 0.00 H new ATOM 0 HA VAL A 88 -14.227 -8.853 3.862 1.00 0.00 H new ATOM 0 HB VAL A 88 -14.624 -11.812 3.687 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -16.286 -11.548 5.504 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -14.627 -11.187 6.036 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -15.761 -9.858 5.697 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -16.947 -11.309 3.261 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -16.560 -9.572 3.275 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -15.837 -10.635 2.044 1.00 0.00 H new ATOM 1382 N GLU A 89 -11.961 -10.769 5.031 1.00 0.00 N ATOM 1383 CA GLU A 89 -10.912 -10.792 6.014 1.00 0.00 C ATOM 1384 C GLU A 89 -10.047 -9.535 5.907 1.00 0.00 C ATOM 1385 O GLU A 89 -9.527 -9.032 6.898 1.00 0.00 O ATOM 1386 CB GLU A 89 -10.096 -12.017 5.837 1.00 0.00 C ATOM 1387 CG GLU A 89 -10.809 -13.315 6.124 1.00 0.00 C ATOM 1388 CD GLU A 89 -9.932 -14.498 5.846 1.00 0.00 C ATOM 1389 OE1 GLU A 89 -9.693 -14.814 4.667 1.00 0.00 O ATOM 1390 OE2 GLU A 89 -9.457 -15.140 6.805 1.00 0.00 O ATOM 0 H GLU A 89 -11.924 -11.535 4.358 1.00 0.00 H new ATOM 0 HA GLU A 89 -11.353 -10.805 7.011 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -9.728 -12.043 4.811 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -9.224 -11.949 6.487 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -11.127 -13.334 7.166 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -11.711 -13.378 5.515 1.00 0.00 H new ATOM 1397 N ALA A 90 -9.899 -9.050 4.701 1.00 0.00 N ATOM 1398 CA ALA A 90 -9.127 -7.832 4.444 1.00 0.00 C ATOM 1399 C ALA A 90 -9.867 -6.544 4.829 1.00 0.00 C ATOM 1400 O ALA A 90 -9.238 -5.653 5.400 1.00 0.00 O ATOM 1401 CB ALA A 90 -8.608 -7.767 3.035 1.00 0.00 C ATOM 0 H ALA A 90 -10.302 -9.475 3.866 1.00 0.00 H new ATOM 0 HA ALA A 90 -8.265 -7.898 5.108 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -8.043 -6.845 2.897 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -7.959 -8.622 2.847 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -9.445 -7.787 2.338 1.00 0.00 H new ATOM 1407 N GLU A 91 -11.193 -6.422 4.518 1.00 0.00 N ATOM 1408 CA GLU A 91 -11.968 -5.231 4.915 1.00 0.00 C ATOM 1409 C GLU A 91 -11.860 -4.905 6.391 1.00 0.00 C ATOM 1410 O GLU A 91 -12.120 -3.768 6.812 1.00 0.00 O ATOM 1411 CB GLU A 91 -13.404 -5.316 4.563 1.00 0.00 C ATOM 1412 CG GLU A 91 -13.728 -5.082 3.131 1.00 0.00 C ATOM 1413 CD GLU A 91 -15.183 -4.741 2.941 1.00 0.00 C ATOM 1414 OE1 GLU A 91 -16.059 -5.579 3.225 1.00 0.00 O ATOM 1415 OE2 GLU A 91 -15.484 -3.593 2.514 1.00 0.00 O ATOM 0 H GLU A 91 -11.727 -7.123 4.005 1.00 0.00 H new ATOM 0 HA GLU A 91 -11.507 -4.429 4.338 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -13.771 -6.303 4.844 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -13.951 -4.590 5.164 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -13.110 -4.271 2.745 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -13.484 -5.972 2.552 1.00 0.00 H new ATOM 1422 N LYS A 92 -11.534 -5.907 7.165 1.00 0.00 N ATOM 1423 CA LYS A 92 -11.258 -5.778 8.571 1.00 0.00 C ATOM 1424 C LYS A 92 -10.196 -4.724 8.865 1.00 0.00 C ATOM 1425 O LYS A 92 -10.255 -4.031 9.888 1.00 0.00 O ATOM 1426 CB LYS A 92 -10.807 -7.092 9.050 1.00 0.00 C ATOM 1427 CG LYS A 92 -11.952 -8.041 9.003 1.00 0.00 C ATOM 1428 CD LYS A 92 -11.588 -9.344 9.533 1.00 0.00 C ATOM 1429 CE LYS A 92 -12.772 -10.274 9.460 1.00 0.00 C ATOM 1430 NZ LYS A 92 -13.897 -9.798 10.292 1.00 0.00 N ATOM 0 H LYS A 92 -11.451 -6.864 6.823 1.00 0.00 H new ATOM 0 HA LYS A 92 -12.163 -5.452 9.083 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -9.988 -7.458 8.431 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -10.426 -7.012 10.068 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -12.786 -7.635 9.575 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -12.294 -8.149 7.974 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -10.754 -9.757 8.966 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -11.254 -9.246 10.566 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -13.099 -10.365 8.424 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -12.473 -11.269 9.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -14.549 -10.587 10.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -13.531 -9.431 11.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -14.404 -9.041 9.790 1.00 0.00 H new ATOM 1444 N SER A 93 -9.223 -4.616 7.989 1.00 0.00 N ATOM 1445 CA SER A 93 -8.195 -3.628 8.114 1.00 0.00 C ATOM 1446 C SER A 93 -7.718 -3.086 6.747 1.00 0.00 C ATOM 1447 O SER A 93 -8.240 -2.074 6.250 1.00 0.00 O ATOM 1448 CB SER A 93 -7.048 -4.155 8.939 1.00 0.00 C ATOM 1449 OG SER A 93 -7.475 -4.561 10.235 1.00 0.00 O ATOM 0 H SER A 93 -9.129 -5.216 7.170 1.00 0.00 H new ATOM 0 HA SER A 93 -8.629 -2.777 8.638 1.00 0.00 H new ATOM 0 HB2 SER A 93 -6.589 -5.000 8.426 1.00 0.00 H new ATOM 0 HB3 SER A 93 -6.283 -3.384 9.033 1.00 0.00 H new ATOM 0 HG SER A 93 -6.764 -5.080 10.666 1.00 0.00 H new ATOM 1455 N TYR A 94 -6.795 -3.790 6.140 1.00 0.00 N ATOM 1456 CA TYR A 94 -6.174 -3.429 4.889 1.00 0.00 C ATOM 1457 C TYR A 94 -5.506 -4.672 4.299 1.00 0.00 C ATOM 1458 O TYR A 94 -5.507 -5.742 4.920 1.00 0.00 O ATOM 1459 CB TYR A 94 -5.018 -2.398 5.079 1.00 0.00 C ATOM 1460 CG TYR A 94 -3.903 -2.593 6.043 1.00 0.00 C ATOM 1461 CD1 TYR A 94 -4.145 -2.686 7.369 1.00 0.00 C ATOM 1462 CD2 TYR A 94 -2.595 -2.538 5.613 1.00 0.00 C ATOM 1463 CE1 TYR A 94 -3.121 -2.730 8.282 1.00 0.00 C ATOM 1464 CE2 TYR A 94 -1.562 -2.601 6.501 1.00 0.00 C ATOM 1465 CZ TYR A 94 -1.820 -2.692 7.832 1.00 0.00 C ATOM 1466 OH TYR A 94 -0.775 -2.709 8.723 1.00 0.00 O ATOM 0 H TYR A 94 -6.441 -4.668 6.520 1.00 0.00 H new ATOM 0 HA TYR A 94 -6.956 -3.008 4.257 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -4.559 -2.266 4.099 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -5.490 -1.451 5.341 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -5.166 -2.727 7.718 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -2.385 -2.444 4.558 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -3.333 -2.794 9.339 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -0.542 -2.579 6.147 1.00 0.00 H new ATOM 0 HH TYR A 94 0.073 -2.678 8.233 1.00 0.00 H new ATOM 1476 N PHE A 95 -4.929 -4.501 3.133 1.00 0.00 N ATOM 1477 CA PHE A 95 -4.039 -5.471 2.501 1.00 0.00 C ATOM 1478 C PHE A 95 -2.670 -4.857 2.506 1.00 0.00 C ATOM 1479 O PHE A 95 -2.558 -3.649 2.423 1.00 0.00 O ATOM 1480 CB PHE A 95 -4.402 -5.750 1.036 1.00 0.00 C ATOM 1481 CG PHE A 95 -5.291 -6.931 0.778 1.00 0.00 C ATOM 1482 CD1 PHE A 95 -4.894 -8.199 1.172 1.00 0.00 C ATOM 1483 CD2 PHE A 95 -6.492 -6.786 0.102 1.00 0.00 C ATOM 1484 CE1 PHE A 95 -5.681 -9.303 0.906 1.00 0.00 C ATOM 1485 CE2 PHE A 95 -7.282 -7.887 -0.179 1.00 0.00 C ATOM 1486 CZ PHE A 95 -6.875 -9.150 0.226 1.00 0.00 C ATOM 0 H PHE A 95 -5.065 -3.659 2.573 1.00 0.00 H new ATOM 0 HA PHE A 95 -4.109 -6.411 3.048 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -4.888 -4.863 0.630 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -3.477 -5.891 0.477 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -3.957 -8.326 1.694 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -6.815 -5.803 -0.209 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -5.364 -10.284 1.229 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -8.213 -7.763 -0.712 1.00 0.00 H new ATOM 0 HZ PHE A 95 -7.489 -10.012 0.011 1.00 0.00 H new ATOM 1496 N ILE A 96 -1.638 -5.637 2.632 1.00 0.00 N ATOM 1497 CA ILE A 96 -0.308 -5.069 2.574 1.00 0.00 C ATOM 1498 C ILE A 96 0.405 -5.553 1.316 1.00 0.00 C ATOM 1499 O ILE A 96 0.842 -6.688 1.244 1.00 0.00 O ATOM 1500 CB ILE A 96 0.549 -5.384 3.788 1.00 0.00 C ATOM 1501 CG1 ILE A 96 -0.270 -5.264 5.062 1.00 0.00 C ATOM 1502 CG2 ILE A 96 1.717 -4.414 3.825 1.00 0.00 C ATOM 1503 CD1 ILE A 96 0.544 -5.360 6.317 1.00 0.00 C ATOM 0 H ILE A 96 -1.679 -6.646 2.773 1.00 0.00 H new ATOM 0 HA ILE A 96 -0.441 -3.987 2.557 1.00 0.00 H new ATOM 0 HB ILE A 96 0.919 -6.407 3.718 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -0.798 -4.310 5.055 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -1.028 -6.048 5.071 1.00 0.00 H new ATOM 0 HG21 ILE A 96 2.341 -4.629 4.692 1.00 0.00 H new ATOM 0 HG22 ILE A 96 2.309 -4.522 2.916 1.00 0.00 H new ATOM 0 HG23 ILE A 96 1.340 -3.393 3.893 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -0.111 -5.265 7.183 1.00 0.00 H new ATOM 0 HD12 ILE A 96 1.051 -6.324 6.349 1.00 0.00 H new ATOM 0 HD13 ILE A 96 1.284 -4.560 6.333 1.00 0.00 H new ATOM 1515 N LEU A 97 0.428 -4.712 0.320 1.00 0.00 N ATOM 1516 CA LEU A 97 1.073 -4.992 -0.937 1.00 0.00 C ATOM 1517 C LEU A 97 2.574 -4.769 -0.764 1.00 0.00 C ATOM 1518 O LEU A 97 3.059 -3.633 -0.682 1.00 0.00 O ATOM 1519 CB LEU A 97 0.449 -4.063 -2.000 1.00 0.00 C ATOM 1520 CG LEU A 97 0.504 -4.452 -3.490 1.00 0.00 C ATOM 1521 CD1 LEU A 97 1.421 -3.558 -4.271 1.00 0.00 C ATOM 1522 CD2 LEU A 97 0.855 -5.916 -3.687 1.00 0.00 C ATOM 0 H LEU A 97 -0.010 -3.792 0.358 1.00 0.00 H new ATOM 0 HA LEU A 97 0.930 -6.023 -1.262 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.601 -3.930 -1.738 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.928 -3.089 -1.901 1.00 0.00 H new ATOM 0 HG LEU A 97 -0.502 -4.308 -3.885 1.00 0.00 H new ATOM 0 HD11 LEU A 97 1.429 -3.869 -5.316 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.071 -2.528 -4.201 1.00 0.00 H new ATOM 0 HD13 LEU A 97 2.430 -3.627 -3.864 1.00 0.00 H new ATOM 0 HD21 LEU A 97 0.882 -6.143 -4.753 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.832 -6.118 -3.248 1.00 0.00 H new ATOM 0 HD23 LEU A 97 0.103 -6.539 -3.202 1.00 0.00 H new ATOM 1534 N ARG A 98 3.290 -5.858 -0.638 1.00 0.00 N ATOM 1535 CA ARG A 98 4.712 -5.815 -0.339 1.00 0.00 C ATOM 1536 C ARG A 98 5.462 -6.551 -1.380 1.00 0.00 C ATOM 1537 O ARG A 98 4.882 -7.390 -2.099 1.00 0.00 O ATOM 1538 CB ARG A 98 5.008 -6.575 0.954 1.00 0.00 C ATOM 1539 CG ARG A 98 4.068 -6.306 2.073 1.00 0.00 C ATOM 1540 CD ARG A 98 4.440 -7.066 3.323 1.00 0.00 C ATOM 1541 NE ARG A 98 5.807 -6.799 3.777 1.00 0.00 N ATOM 1542 CZ ARG A 98 6.165 -6.615 5.044 1.00 0.00 C ATOM 1543 NH1 ARG A 98 5.258 -6.673 6.013 1.00 0.00 N ATOM 1544 NH2 ARG A 98 7.438 -6.422 5.345 1.00 0.00 N ATOM 0 H ARG A 98 2.912 -6.800 -0.738 1.00 0.00 H new ATOM 0 HA ARG A 98 4.997 -4.765 -0.274 1.00 0.00 H new ATOM 0 HB2 ARG A 98 4.997 -7.644 0.740 1.00 0.00 H new ATOM 0 HB3 ARG A 98 6.018 -6.326 1.280 1.00 0.00 H new ATOM 0 HG2 ARG A 98 4.058 -5.238 2.288 1.00 0.00 H new ATOM 0 HG3 ARG A 98 3.057 -6.580 1.770 1.00 0.00 H new ATOM 0 HD2 ARG A 98 3.743 -6.806 4.119 1.00 0.00 H new ATOM 0 HD3 ARG A 98 4.328 -8.134 3.137 1.00 0.00 H new ATOM 0 HE ARG A 98 6.539 -6.751 3.068 1.00 0.00 H new ATOM 0 HH11 ARG A 98 4.281 -6.860 5.787 1.00 0.00 H new ATOM 0 HH12 ARG A 98 5.539 -6.531 6.983 1.00 0.00 H new ATOM 0 HH21 ARG A 98 8.141 -6.415 4.606 1.00 0.00 H new ATOM 0 HH22 ARG A 98 7.717 -6.280 6.316 1.00 0.00 H new ATOM 1558 N MET A 99 6.740 -6.266 -1.477 1.00 0.00 N ATOM 1559 CA MET A 99 7.586 -7.095 -2.223 1.00 0.00 C ATOM 1560 C MET A 99 7.839 -8.287 -1.355 1.00 0.00 C ATOM 1561 O MET A 99 8.155 -8.140 -0.169 1.00 0.00 O ATOM 1562 CB MET A 99 8.913 -6.449 -2.578 1.00 0.00 C ATOM 1563 CG MET A 99 8.789 -5.234 -3.433 1.00 0.00 C ATOM 1564 SD MET A 99 10.305 -4.794 -4.305 1.00 0.00 S ATOM 1565 CE MET A 99 10.400 -6.132 -5.501 1.00 0.00 C ATOM 0 H MET A 99 7.193 -5.463 -1.041 1.00 0.00 H new ATOM 0 HA MET A 99 7.111 -7.334 -3.174 1.00 0.00 H new ATOM 0 HB2 MET A 99 9.432 -6.181 -1.658 1.00 0.00 H new ATOM 0 HB3 MET A 99 9.535 -7.181 -3.093 1.00 0.00 H new ATOM 0 HG2 MET A 99 7.996 -5.395 -4.163 1.00 0.00 H new ATOM 0 HG3 MET A 99 8.483 -4.393 -2.810 1.00 0.00 H new ATOM 0 HE1 MET A 99 11.104 -5.866 -6.290 1.00 0.00 H new ATOM 0 HE2 MET A 99 10.739 -7.041 -5.004 1.00 0.00 H new ATOM 0 HE3 MET A 99 9.415 -6.302 -5.936 1.00 0.00 H new