USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=22 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= 1.46 K(o=0.76,f=-11!) USER MOD Set 1.2: A 73 THR OG1 : rot 180:sc= -0.707 USER MOD Set 2.1: A 69 GLN :FLIP amide:sc= -0.522 F(o=-1.5,f=-0.98) USER MOD Set 2.2: A 76 TYR OH : rot 165:sc= -0.461 USER MOD Set 3.1: A 37 HIS :FLIP no HE2:sc= -0.276 F(o=-2.8,f=-1.2) USER MOD Set 3.2: A 48 HIS :FLIP no HD1:sc= -0.886 X(o=-1.2,f=-1.2) USER MOD Single : A 7 SER OG : rot 35:sc= 0.0726 USER MOD Single : A 8 MET CE :methyl -115:sc= -1.73 (180deg=-4.06!) USER MOD Single : A 9 LYS NZ :NH3+ 146:sc= 0.934 (180deg=0.633) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 79:sc= 1.2 USER MOD Single : A 55 HIS : no HD1:sc= -0.0595 X(o=-0.06,f=-0.026) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ -155:sc= 0.705 (180deg=0.0756) USER MOD Single : A 64 SER OG : rot 102:sc= 0.512 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= -0.198 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.317 USER MOD Single : A 92 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0915) USER MOD Single : A 93 SER OG : rot -132:sc= -0.277 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl 154:sc= -0.148 (180deg=-0.793) USER MOD ----------------------------------------------------------------- ATOM 69 N SER A 7 -17.380 -6.518 -4.587 1.00 0.00 N ATOM 70 CA SER A 7 -16.199 -5.716 -4.696 1.00 0.00 C ATOM 71 C SER A 7 -16.077 -4.690 -3.580 1.00 0.00 C ATOM 72 O SER A 7 -17.008 -3.927 -3.277 1.00 0.00 O ATOM 73 CB SER A 7 -16.102 -5.116 -6.072 1.00 0.00 C ATOM 74 OG SER A 7 -16.385 -6.099 -7.058 1.00 0.00 O ATOM 0 HA SER A 7 -15.335 -6.368 -4.563 1.00 0.00 H new ATOM 0 HB2 SER A 7 -16.802 -4.286 -6.165 1.00 0.00 H new ATOM 0 HB3 SER A 7 -15.103 -4.710 -6.230 1.00 0.00 H new ATOM 0 HG SER A 7 -17.075 -6.709 -6.723 1.00 0.00 H new ATOM 80 N MET A 8 -14.915 -4.699 -2.999 1.00 0.00 N ATOM 81 CA MET A 8 -14.614 -3.952 -1.825 1.00 0.00 C ATOM 82 C MET A 8 -13.563 -2.949 -2.065 1.00 0.00 C ATOM 83 O MET A 8 -12.605 -3.215 -2.768 1.00 0.00 O ATOM 84 CB MET A 8 -14.116 -4.880 -0.772 1.00 0.00 C ATOM 85 CG MET A 8 -15.015 -6.030 -0.519 1.00 0.00 C ATOM 86 SD MET A 8 -14.468 -7.051 0.792 1.00 0.00 S ATOM 87 CE MET A 8 -15.747 -8.252 0.737 1.00 0.00 C ATOM 0 H MET A 8 -14.127 -5.247 -3.345 1.00 0.00 H new ATOM 0 HA MET A 8 -15.528 -3.442 -1.519 1.00 0.00 H new ATOM 0 HB2 MET A 8 -13.135 -5.254 -1.064 1.00 0.00 H new ATOM 0 HB3 MET A 8 -13.982 -4.324 0.156 1.00 0.00 H new ATOM 0 HG2 MET A 8 -16.014 -5.659 -0.291 1.00 0.00 H new ATOM 0 HG3 MET A 8 -15.096 -6.627 -1.427 1.00 0.00 H new ATOM 0 HE1 MET A 8 -16.328 -8.208 1.658 1.00 0.00 H new ATOM 0 HE2 MET A 8 -16.399 -8.050 -0.113 1.00 0.00 H new ATOM 0 HE3 MET A 8 -15.310 -9.245 0.631 1.00 0.00 H new ATOM 97 N LYS A 9 -13.733 -1.799 -1.490 1.00 0.00 N ATOM 98 CA LYS A 9 -12.742 -0.790 -1.521 1.00 0.00 C ATOM 99 C LYS A 9 -11.944 -0.885 -0.216 1.00 0.00 C ATOM 100 O LYS A 9 -12.380 -0.441 0.853 1.00 0.00 O ATOM 101 CB LYS A 9 -13.381 0.578 -1.736 1.00 0.00 C ATOM 102 CG LYS A 9 -12.428 1.754 -1.647 1.00 0.00 C ATOM 103 CD LYS A 9 -13.117 3.075 -1.965 1.00 0.00 C ATOM 104 CE LYS A 9 -13.222 3.345 -3.458 1.00 0.00 C ATOM 105 NZ LYS A 9 -11.893 3.611 -4.084 1.00 0.00 N ATOM 0 H LYS A 9 -14.578 -1.540 -0.981 1.00 0.00 H new ATOM 0 HA LYS A 9 -12.058 -0.929 -2.358 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -13.857 0.589 -2.716 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -14.171 0.713 -0.997 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -12.002 1.800 -0.645 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -11.600 1.602 -2.339 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -14.117 3.071 -1.531 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -12.567 3.889 -1.492 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -13.686 2.489 -3.947 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -13.877 4.201 -3.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -11.884 3.234 -5.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -11.720 4.636 -4.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -11.147 3.149 -3.526 1.00 0.00 H new ATOM 119 N ILE A 10 -10.820 -1.528 -0.319 1.00 0.00 N ATOM 120 CA ILE A 10 -9.973 -1.853 0.782 1.00 0.00 C ATOM 121 C ILE A 10 -8.724 -1.004 0.754 1.00 0.00 C ATOM 122 O ILE A 10 -8.166 -0.769 -0.320 1.00 0.00 O ATOM 123 CB ILE A 10 -9.601 -3.340 0.649 1.00 0.00 C ATOM 124 CG1 ILE A 10 -10.862 -4.179 0.822 1.00 0.00 C ATOM 125 CG2 ILE A 10 -8.495 -3.758 1.615 1.00 0.00 C ATOM 126 CD1 ILE A 10 -10.715 -5.601 0.400 1.00 0.00 C ATOM 0 H ILE A 10 -10.455 -1.854 -1.214 1.00 0.00 H new ATOM 0 HA ILE A 10 -10.484 -1.663 1.726 1.00 0.00 H new ATOM 0 HB ILE A 10 -9.189 -3.510 -0.346 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -11.161 -4.152 1.870 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -11.669 -3.723 0.248 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -8.273 -4.816 1.478 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -7.598 -3.170 1.418 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -8.823 -3.586 2.640 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -11.657 -6.126 0.556 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -10.448 -5.641 -0.656 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -9.932 -6.077 0.991 1.00 0.00 H new ATOM 138 N ARG A 11 -8.312 -0.516 1.912 1.00 0.00 N ATOM 139 CA ARG A 11 -7.069 0.168 2.039 1.00 0.00 C ATOM 140 C ARG A 11 -5.953 -0.779 1.851 1.00 0.00 C ATOM 141 O ARG A 11 -5.930 -1.858 2.438 1.00 0.00 O ATOM 142 CB ARG A 11 -6.908 0.782 3.429 1.00 0.00 C ATOM 143 CG ARG A 11 -7.534 2.157 3.586 1.00 0.00 C ATOM 144 CD ARG A 11 -7.140 2.742 4.927 1.00 0.00 C ATOM 145 NE ARG A 11 -7.681 4.089 5.178 1.00 0.00 N ATOM 146 CZ ARG A 11 -7.630 4.706 6.377 1.00 0.00 C ATOM 147 NH1 ARG A 11 -7.192 4.036 7.455 1.00 0.00 N ATOM 148 NH2 ARG A 11 -8.031 5.976 6.503 1.00 0.00 N ATOM 0 H ARG A 11 -8.841 -0.591 2.781 1.00 0.00 H new ATOM 0 HA ARG A 11 -7.057 0.953 1.283 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -7.351 0.109 4.163 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -5.845 0.852 3.661 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -7.204 2.813 2.780 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -8.619 2.085 3.514 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -7.480 2.073 5.717 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -6.052 2.782 4.989 1.00 0.00 H new ATOM 0 HE ARG A 11 -8.119 4.584 4.401 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -6.899 3.063 7.366 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -7.152 4.500 8.363 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -8.378 6.484 5.690 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -7.990 6.436 7.412 1.00 0.00 H new ATOM 162 N VAL A 12 -5.075 -0.436 1.021 1.00 0.00 N ATOM 163 CA VAL A 12 -3.956 -1.221 0.797 1.00 0.00 C ATOM 164 C VAL A 12 -2.757 -0.454 1.220 1.00 0.00 C ATOM 165 O VAL A 12 -2.579 0.666 0.712 1.00 0.00 O ATOM 166 CB VAL A 12 -3.793 -1.463 -0.739 1.00 0.00 C ATOM 167 CG1 VAL A 12 -2.617 -2.386 -1.001 1.00 0.00 C ATOM 168 CG2 VAL A 12 -5.053 -2.067 -1.312 1.00 0.00 C ATOM 0 H VAL A 12 -5.114 0.418 0.465 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.061 -2.161 1.339 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.609 -0.504 -1.223 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.513 -2.547 -2.074 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.705 -1.933 -0.612 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.787 -3.342 -0.505 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -4.924 -2.230 -2.382 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -5.255 -3.019 -0.822 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.890 -1.388 -1.146 1.00 0.00 H new ATOM 178 N GLU A 13 -1.962 -0.959 2.132 1.00 0.00 N ATOM 179 CA GLU A 13 -0.712 -0.322 2.300 1.00 0.00 C ATOM 180 C GLU A 13 0.229 -0.869 1.271 1.00 0.00 C ATOM 181 O GLU A 13 0.060 -1.991 0.816 1.00 0.00 O ATOM 182 CB GLU A 13 0.055 -0.399 3.642 1.00 0.00 C ATOM 183 CG GLU A 13 -0.244 0.718 4.653 1.00 0.00 C ATOM 184 CD GLU A 13 -1.670 0.831 5.161 1.00 0.00 C ATOM 185 OE1 GLU A 13 -2.568 1.267 4.418 1.00 0.00 O ATOM 186 OE2 GLU A 13 -1.890 0.564 6.365 1.00 0.00 O ATOM 0 H GLU A 13 -2.155 -1.762 2.730 1.00 0.00 H new ATOM 0 HA GLU A 13 -1.002 0.726 2.226 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -0.169 -1.357 4.112 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.124 -0.392 3.428 1.00 0.00 H new ATOM 0 HG2 GLU A 13 0.411 0.579 5.513 1.00 0.00 H new ATOM 0 HG3 GLU A 13 0.028 1.669 4.196 1.00 0.00 H new ATOM 193 N LEU A 14 1.194 -0.106 0.915 1.00 0.00 N ATOM 194 CA LEU A 14 2.208 -0.530 -0.003 1.00 0.00 C ATOM 195 C LEU A 14 3.568 -0.313 0.592 1.00 0.00 C ATOM 196 O LEU A 14 3.878 0.788 1.066 1.00 0.00 O ATOM 197 CB LEU A 14 2.022 0.231 -1.344 1.00 0.00 C ATOM 198 CG LEU A 14 3.152 0.283 -2.430 1.00 0.00 C ATOM 199 CD1 LEU A 14 4.180 1.361 -2.141 1.00 0.00 C ATOM 200 CD2 LEU A 14 3.836 -1.053 -2.618 1.00 0.00 C ATOM 0 H LEU A 14 1.312 0.849 1.253 1.00 0.00 H new ATOM 0 HA LEU A 14 2.118 -1.598 -0.203 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.141 -0.192 -1.826 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.782 1.263 -1.090 1.00 0.00 H new ATOM 0 HG LEU A 14 2.649 0.536 -3.363 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.941 1.357 -2.921 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.690 2.334 -2.118 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.649 1.168 -1.176 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.609 -0.962 -3.381 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.289 -1.365 -1.677 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.103 -1.796 -2.932 1.00 0.00 H new ATOM 212 N ILE A 15 4.380 -1.341 0.593 1.00 0.00 N ATOM 213 CA ILE A 15 5.764 -1.149 0.958 1.00 0.00 C ATOM 214 C ILE A 15 6.586 -1.101 -0.320 1.00 0.00 C ATOM 215 O ILE A 15 6.658 -2.093 -1.061 1.00 0.00 O ATOM 216 CB ILE A 15 6.469 -2.230 1.901 1.00 0.00 C ATOM 217 CG1 ILE A 15 6.045 -2.036 3.384 1.00 0.00 C ATOM 218 CG2 ILE A 15 8.007 -2.191 1.807 1.00 0.00 C ATOM 219 CD1 ILE A 15 4.557 -2.111 3.662 1.00 0.00 C ATOM 0 H ILE A 15 4.118 -2.297 0.352 1.00 0.00 H new ATOM 0 HA ILE A 15 5.736 -0.234 1.550 1.00 0.00 H new ATOM 0 HB ILE A 15 6.134 -3.204 1.544 1.00 0.00 H new ATOM 0 HG12 ILE A 15 6.546 -2.793 3.987 1.00 0.00 H new ATOM 0 HG13 ILE A 15 6.410 -1.066 3.722 1.00 0.00 H new ATOM 0 HG21 ILE A 15 8.431 -2.946 2.469 1.00 0.00 H new ATOM 0 HG22 ILE A 15 8.314 -2.394 0.781 1.00 0.00 H new ATOM 0 HG23 ILE A 15 8.365 -1.205 2.105 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.378 -1.962 4.727 1.00 0.00 H new ATOM 0 HD12 ILE A 15 4.041 -1.336 3.095 1.00 0.00 H new ATOM 0 HD13 ILE A 15 4.180 -3.089 3.364 1.00 0.00 H new ATOM 483 N PRO A 33 2.328 4.456 1.944 1.00 0.00 N ATOM 484 CA PRO A 33 1.457 4.835 0.839 1.00 0.00 C ATOM 485 C PRO A 33 0.290 3.871 0.735 1.00 0.00 C ATOM 486 O PRO A 33 0.479 2.648 0.787 1.00 0.00 O ATOM 487 CB PRO A 33 2.361 4.708 -0.407 1.00 0.00 C ATOM 488 CG PRO A 33 3.687 4.227 0.100 1.00 0.00 C ATOM 489 CD PRO A 33 3.733 4.577 1.551 1.00 0.00 C ATOM 0 HA PRO A 33 1.035 5.833 0.958 1.00 0.00 H new ATOM 0 HB2 PRO A 33 1.939 4.006 -1.127 1.00 0.00 H new ATOM 0 HB3 PRO A 33 2.461 5.666 -0.917 1.00 0.00 H new ATOM 0 HG2 PRO A 33 3.791 3.152 -0.044 1.00 0.00 H new ATOM 0 HG3 PRO A 33 4.506 4.702 -0.441 1.00 0.00 H new ATOM 0 HD2 PRO A 33 4.373 3.897 2.114 1.00 0.00 H new ATOM 0 HD3 PRO A 33 4.116 5.584 1.715 1.00 0.00 H new ATOM 497 N SER A 34 -0.885 4.392 0.599 1.00 0.00 N ATOM 498 CA SER A 34 -2.046 3.574 0.649 1.00 0.00 C ATOM 499 C SER A 34 -3.057 4.019 -0.362 1.00 0.00 C ATOM 500 O SER A 34 -3.043 5.179 -0.791 1.00 0.00 O ATOM 501 CB SER A 34 -2.640 3.600 2.064 1.00 0.00 C ATOM 502 OG SER A 34 -2.807 4.946 2.533 1.00 0.00 O ATOM 0 H SER A 34 -1.064 5.385 0.452 1.00 0.00 H new ATOM 0 HA SER A 34 -1.764 2.550 0.405 1.00 0.00 H new ATOM 0 HB2 SER A 34 -3.603 3.089 2.066 1.00 0.00 H new ATOM 0 HB3 SER A 34 -1.988 3.053 2.745 1.00 0.00 H new ATOM 0 HG SER A 34 -3.188 4.933 3.436 1.00 0.00 H new ATOM 508 N VAL A 35 -3.917 3.122 -0.723 1.00 0.00 N ATOM 509 CA VAL A 35 -4.981 3.373 -1.641 1.00 0.00 C ATOM 510 C VAL A 35 -6.150 2.573 -1.215 1.00 0.00 C ATOM 511 O VAL A 35 -5.990 1.517 -0.622 1.00 0.00 O ATOM 512 CB VAL A 35 -4.595 3.019 -3.120 1.00 0.00 C ATOM 513 CG1 VAL A 35 -4.135 1.591 -3.264 1.00 0.00 C ATOM 514 CG2 VAL A 35 -5.730 3.276 -4.100 1.00 0.00 C ATOM 0 H VAL A 35 -3.897 2.163 -0.376 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.208 4.439 -1.628 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.768 3.685 -3.364 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.879 1.394 -4.305 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.258 1.426 -2.638 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.934 0.918 -2.953 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -5.407 3.014 -5.108 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.592 2.668 -3.826 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.005 4.330 -4.070 1.00 0.00 H new ATOM 524 N SER A 36 -7.292 3.075 -1.443 1.00 0.00 N ATOM 525 CA SER A 36 -8.449 2.352 -1.200 1.00 0.00 C ATOM 526 C SER A 36 -8.878 1.745 -2.544 1.00 0.00 C ATOM 527 O SER A 36 -9.508 2.397 -3.385 1.00 0.00 O ATOM 528 CB SER A 36 -9.454 3.229 -0.575 1.00 0.00 C ATOM 529 OG SER A 36 -8.907 3.871 0.576 1.00 0.00 O ATOM 0 H SER A 36 -7.444 4.015 -1.809 1.00 0.00 H new ATOM 0 HA SER A 36 -8.306 1.536 -0.492 1.00 0.00 H new ATOM 0 HB2 SER A 36 -9.789 3.978 -1.292 1.00 0.00 H new ATOM 0 HB3 SER A 36 -10.330 2.645 -0.292 1.00 0.00 H new ATOM 0 HG SER A 36 -9.585 4.452 0.980 1.00 0.00 H new ATOM 535 N HIS A 37 -8.532 0.500 -2.718 1.00 0.00 N ATOM 536 CA HIS A 37 -8.598 -0.152 -3.967 1.00 0.00 C ATOM 537 C HIS A 37 -9.773 -1.113 -3.993 1.00 0.00 C ATOM 538 O HIS A 37 -10.099 -1.732 -2.991 1.00 0.00 O ATOM 539 CB HIS A 37 -7.249 -0.865 -4.204 1.00 0.00 C ATOM 540 CG HIS A 37 -7.153 -1.658 -5.461 1.00 0.00 C ATOM 541 ND1 HIS A 37 -7.571 -2.888 -5.719 1.00 0.00 N flip ATOM 542 CD2 HIS A 37 -6.573 -1.205 -6.615 1.00 0.00 C flip ATOM 543 CE1 HIS A 37 -7.261 -3.177 -7.018 1.00 0.00 C flip ATOM 544 NE2 HIS A 37 -6.653 -2.137 -7.533 1.00 0.00 N flip ATOM 0 H HIS A 37 -8.188 -0.094 -1.964 1.00 0.00 H new ATOM 0 HA HIS A 37 -8.763 0.562 -4.774 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -6.458 -0.115 -4.207 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -7.056 -1.529 -3.361 1.00 0.00 H new ATOM 0 HD1 HIS A 37 -8.042 -3.511 -5.063 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -6.121 -0.233 -6.748 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -7.479 -4.102 -7.531 1.00 0.00 H new ATOM 553 N ILE A 38 -10.363 -1.211 -5.141 1.00 0.00 N ATOM 554 CA ILE A 38 -11.550 -2.033 -5.437 1.00 0.00 C ATOM 555 C ILE A 38 -11.010 -3.461 -5.742 1.00 0.00 C ATOM 556 O ILE A 38 -10.268 -3.681 -6.717 1.00 0.00 O ATOM 557 CB ILE A 38 -12.133 -1.453 -6.667 1.00 0.00 C ATOM 558 CG1 ILE A 38 -12.631 -0.015 -6.401 1.00 0.00 C ATOM 559 CG2 ILE A 38 -13.278 -2.360 -7.087 1.00 0.00 C ATOM 560 CD1 ILE A 38 -13.638 0.103 -5.258 1.00 0.00 C ATOM 0 H ILE A 38 -10.031 -0.701 -5.960 1.00 0.00 H new ATOM 0 HA ILE A 38 -12.287 -2.065 -4.634 1.00 0.00 H new ATOM 0 HB ILE A 38 -11.389 -1.390 -7.461 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -11.772 0.619 -6.179 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -13.087 0.373 -7.312 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -13.739 -1.968 -7.994 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -12.896 -3.363 -7.278 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -14.021 -2.400 -6.291 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -13.934 1.145 -5.140 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -14.517 -0.501 -5.484 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -13.182 -0.251 -4.333 1.00 0.00 H new ATOM 572 N PHE A 39 -11.305 -4.352 -4.893 1.00 0.00 N ATOM 573 CA PHE A 39 -10.932 -5.717 -5.057 1.00 0.00 C ATOM 574 C PHE A 39 -12.169 -6.553 -5.260 1.00 0.00 C ATOM 575 O PHE A 39 -13.230 -6.219 -4.747 1.00 0.00 O ATOM 576 CB PHE A 39 -10.199 -6.218 -3.853 1.00 0.00 C ATOM 577 CG PHE A 39 -8.825 -5.702 -3.633 1.00 0.00 C ATOM 578 CD1 PHE A 39 -7.733 -6.337 -4.198 1.00 0.00 C ATOM 579 CD2 PHE A 39 -8.620 -4.626 -2.821 1.00 0.00 C ATOM 580 CE1 PHE A 39 -6.459 -5.892 -3.958 1.00 0.00 C ATOM 581 CE2 PHE A 39 -7.350 -4.175 -2.561 1.00 0.00 C ATOM 582 CZ PHE A 39 -6.262 -4.810 -3.133 1.00 0.00 C ATOM 0 H PHE A 39 -11.826 -4.164 -4.037 1.00 0.00 H new ATOM 0 HA PHE A 39 -10.277 -5.793 -5.925 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -10.794 -5.980 -2.972 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -10.146 -7.305 -3.918 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -7.887 -7.194 -4.836 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -9.466 -4.123 -2.377 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -5.615 -6.388 -4.414 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -7.200 -3.326 -1.911 1.00 0.00 H new ATOM 0 HZ PHE A 39 -5.261 -4.457 -2.932 1.00 0.00 H new ATOM 592 N ASP A 40 -12.020 -7.619 -6.003 1.00 0.00 N ATOM 593 CA ASP A 40 -13.086 -8.548 -6.307 1.00 0.00 C ATOM 594 C ASP A 40 -12.479 -9.936 -6.452 1.00 0.00 C ATOM 595 O ASP A 40 -11.273 -10.106 -6.231 1.00 0.00 O ATOM 596 CB ASP A 40 -13.809 -8.165 -7.612 1.00 0.00 C ATOM 597 CG ASP A 40 -12.886 -8.103 -8.825 1.00 0.00 C ATOM 598 OD1 ASP A 40 -12.341 -9.145 -9.236 1.00 0.00 O ATOM 599 OD2 ASP A 40 -12.709 -7.000 -9.388 1.00 0.00 O ATOM 0 H ASP A 40 -11.129 -7.875 -6.427 1.00 0.00 H new ATOM 0 HA ASP A 40 -13.819 -8.525 -5.501 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -14.601 -8.889 -7.805 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -14.289 -7.195 -7.481 1.00 0.00 H new ATOM 604 N GLY A 41 -13.275 -10.878 -6.922 1.00 0.00 N ATOM 605 CA GLY A 41 -12.838 -12.250 -7.045 1.00 0.00 C ATOM 606 C GLY A 41 -12.971 -12.742 -8.473 1.00 0.00 C ATOM 607 O GLY A 41 -12.909 -13.949 -8.748 1.00 0.00 O ATOM 0 H GLY A 41 -14.234 -10.713 -7.226 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -11.800 -12.334 -6.724 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -13.429 -12.883 -6.383 1.00 0.00 H new ATOM 611 N GLU A 42 -13.133 -11.808 -9.390 1.00 0.00 N ATOM 612 CA GLU A 42 -13.325 -12.102 -10.753 1.00 0.00 C ATOM 613 C GLU A 42 -12.092 -11.736 -11.567 1.00 0.00 C ATOM 614 O GLU A 42 -11.865 -12.255 -12.663 1.00 0.00 O ATOM 615 CB GLU A 42 -14.545 -11.378 -11.246 1.00 0.00 C ATOM 616 CG GLU A 42 -15.828 -11.792 -10.522 1.00 0.00 C ATOM 617 CD GLU A 42 -17.080 -11.324 -11.209 1.00 0.00 C ATOM 618 OE1 GLU A 42 -17.285 -10.104 -11.343 1.00 0.00 O ATOM 619 OE2 GLU A 42 -17.893 -12.181 -11.624 1.00 0.00 O ATOM 0 H GLU A 42 -13.131 -10.810 -9.180 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.479 -13.174 -10.874 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -14.397 -10.305 -11.123 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -14.662 -11.563 -12.314 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -15.854 -12.878 -10.437 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -15.809 -11.393 -9.508 1.00 0.00 H new ATOM 626 N THR A 43 -11.320 -10.831 -11.042 1.00 0.00 N ATOM 627 CA THR A 43 -10.091 -10.452 -11.588 1.00 0.00 C ATOM 628 C THR A 43 -8.955 -11.058 -10.757 1.00 0.00 C ATOM 629 O THR A 43 -9.034 -11.076 -9.505 1.00 0.00 O ATOM 630 CB THR A 43 -10.016 -8.930 -11.608 1.00 0.00 C ATOM 631 OG1 THR A 43 -10.897 -8.413 -12.610 1.00 0.00 O ATOM 632 CG2 THR A 43 -8.609 -8.394 -11.782 1.00 0.00 C ATOM 0 H THR A 43 -11.557 -10.328 -10.187 1.00 0.00 H new ATOM 0 HA THR A 43 -9.992 -10.820 -12.609 1.00 0.00 H new ATOM 0 HB THR A 43 -10.338 -8.583 -10.626 1.00 0.00 H new ATOM 0 HG1 THR A 43 -10.846 -7.434 -12.617 1.00 0.00 H new ATOM 0 HG21 THR A 43 -8.633 -7.304 -11.787 1.00 0.00 H new ATOM 0 HG22 THR A 43 -7.984 -8.740 -10.959 1.00 0.00 H new ATOM 0 HG23 THR A 43 -8.197 -8.752 -12.726 1.00 0.00 H new ATOM 640 N ALA A 44 -7.953 -11.600 -11.447 1.00 0.00 N ATOM 641 CA ALA A 44 -6.768 -12.161 -10.838 1.00 0.00 C ATOM 642 C ALA A 44 -6.111 -11.171 -9.913 1.00 0.00 C ATOM 643 O ALA A 44 -6.168 -9.945 -10.127 1.00 0.00 O ATOM 644 CB ALA A 44 -5.765 -12.602 -11.902 1.00 0.00 C ATOM 0 H ALA A 44 -7.951 -11.658 -12.465 1.00 0.00 H new ATOM 0 HA ALA A 44 -7.082 -13.030 -10.260 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.882 -13.021 -11.419 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -6.221 -13.358 -12.541 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -5.475 -11.743 -12.507 1.00 0.00 H new ATOM 650 N VAL A 45 -5.492 -11.704 -8.897 1.00 0.00 N ATOM 651 CA VAL A 45 -4.767 -10.939 -7.914 1.00 0.00 C ATOM 652 C VAL A 45 -3.751 -10.063 -8.598 1.00 0.00 C ATOM 653 O VAL A 45 -3.711 -8.873 -8.379 1.00 0.00 O ATOM 654 CB VAL A 45 -3.955 -11.862 -6.996 1.00 0.00 C ATOM 655 CG1 VAL A 45 -3.157 -11.026 -6.030 1.00 0.00 C ATOM 656 CG2 VAL A 45 -4.893 -12.757 -6.239 1.00 0.00 C ATOM 0 H VAL A 45 -5.476 -12.709 -8.723 1.00 0.00 H new ATOM 0 HA VAL A 45 -5.501 -10.362 -7.351 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.276 -12.472 -7.592 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -2.579 -11.678 -5.376 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.480 -10.376 -6.584 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.834 -10.418 -5.430 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.320 -13.415 -5.585 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -5.571 -12.150 -5.639 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.470 -13.357 -6.942 1.00 0.00 H new ATOM 666 N LYS A 46 -2.964 -10.698 -9.449 1.00 0.00 N ATOM 667 CA LYS A 46 -1.850 -10.066 -10.181 1.00 0.00 C ATOM 668 C LYS A 46 -2.339 -8.845 -10.957 1.00 0.00 C ATOM 669 O LYS A 46 -1.637 -7.884 -11.080 1.00 0.00 O ATOM 670 CB LYS A 46 -1.207 -11.052 -11.153 1.00 0.00 C ATOM 671 CG LYS A 46 -0.949 -12.423 -10.567 1.00 0.00 C ATOM 672 CD LYS A 46 -0.566 -13.399 -11.652 1.00 0.00 C ATOM 673 CE LYS A 46 -0.627 -14.832 -11.154 1.00 0.00 C ATOM 674 NZ LYS A 46 0.382 -15.133 -10.114 1.00 0.00 N ATOM 0 H LYS A 46 -3.074 -11.689 -9.664 1.00 0.00 H new ATOM 0 HA LYS A 46 -1.108 -9.754 -9.446 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.852 -11.158 -12.025 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.263 -10.636 -11.504 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -0.152 -12.364 -9.825 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -1.840 -12.777 -10.049 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -1.235 -13.279 -12.504 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.441 -13.177 -12.004 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -1.622 -15.028 -10.753 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.484 -15.509 -11.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 0.288 -16.125 -9.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 1.335 -14.976 -10.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 0.233 -14.510 -9.295 1.00 0.00 H new ATOM 688 N ASP A 47 -3.561 -8.898 -11.456 1.00 0.00 N ATOM 689 CA ASP A 47 -4.117 -7.788 -12.183 1.00 0.00 C ATOM 690 C ASP A 47 -4.481 -6.679 -11.241 1.00 0.00 C ATOM 691 O ASP A 47 -4.256 -5.515 -11.540 1.00 0.00 O ATOM 692 CB ASP A 47 -5.302 -8.177 -13.042 1.00 0.00 C ATOM 693 CG ASP A 47 -4.953 -8.883 -14.317 1.00 0.00 C ATOM 694 OD1 ASP A 47 -4.445 -8.231 -15.259 1.00 0.00 O ATOM 695 OD2 ASP A 47 -5.213 -10.093 -14.437 1.00 0.00 O ATOM 0 H ASP A 47 -4.182 -9.702 -11.367 1.00 0.00 H new ATOM 0 HA ASP A 47 -3.344 -7.438 -12.868 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -5.961 -8.819 -12.457 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -5.867 -7.277 -13.285 1.00 0.00 H new ATOM 700 N HIS A 48 -5.013 -7.042 -10.084 1.00 0.00 N ATOM 701 CA HIS A 48 -5.297 -6.074 -9.041 1.00 0.00 C ATOM 702 C HIS A 48 -3.959 -5.434 -8.611 1.00 0.00 C ATOM 703 O HIS A 48 -3.875 -4.229 -8.388 1.00 0.00 O ATOM 704 CB HIS A 48 -5.996 -6.728 -7.826 1.00 0.00 C ATOM 705 CG HIS A 48 -7.383 -7.295 -8.036 1.00 0.00 C ATOM 706 ND1 HIS A 48 -7.834 -8.570 -7.940 1.00 0.00 N flip ATOM 707 CD2 HIS A 48 -8.500 -6.535 -8.326 1.00 0.00 C flip ATOM 708 CE1 HIS A 48 -9.185 -8.546 -8.158 1.00 0.00 C flip ATOM 709 NE2 HIS A 48 -9.559 -7.311 -8.388 1.00 0.00 N flip ATOM 0 H HIS A 48 -5.257 -8.003 -9.845 1.00 0.00 H new ATOM 0 HA HIS A 48 -5.980 -5.318 -9.427 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -5.356 -7.532 -7.463 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -6.054 -5.984 -7.032 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -8.502 -5.466 -8.479 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -9.838 -9.406 -8.143 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -10.512 -7.004 -8.582 1.00 0.00 H new ATOM 718 N ILE A 49 -2.940 -6.267 -8.556 1.00 0.00 N ATOM 719 CA ILE A 49 -1.590 -5.876 -8.225 1.00 0.00 C ATOM 720 C ILE A 49 -0.976 -4.988 -9.299 1.00 0.00 C ATOM 721 O ILE A 49 -0.396 -3.980 -8.964 1.00 0.00 O ATOM 722 CB ILE A 49 -0.717 -7.094 -7.860 1.00 0.00 C ATOM 723 CG1 ILE A 49 -1.252 -7.718 -6.578 1.00 0.00 C ATOM 724 CG2 ILE A 49 0.755 -6.692 -7.683 1.00 0.00 C ATOM 725 CD1 ILE A 49 -0.400 -8.827 -6.060 1.00 0.00 C ATOM 0 H ILE A 49 -3.034 -7.265 -8.747 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.634 -5.261 -7.326 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.763 -7.818 -8.673 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -1.335 -6.946 -5.813 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -2.258 -8.096 -6.759 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.344 -7.572 -7.426 1.00 0.00 H new ATOM 0 HG22 ILE A 49 1.129 -6.263 -8.613 1.00 0.00 H new ATOM 0 HG23 ILE A 49 0.837 -5.955 -6.884 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.839 -9.226 -5.146 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.338 -9.618 -6.808 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.600 -8.449 -5.848 1.00 0.00 H new ATOM 737 N LYS A 50 -1.134 -5.328 -10.590 1.00 0.00 N ATOM 738 CA LYS A 50 -0.648 -4.452 -11.663 1.00 0.00 C ATOM 739 C LYS A 50 -1.275 -3.060 -11.560 1.00 0.00 C ATOM 740 O LYS A 50 -0.618 -2.049 -11.844 1.00 0.00 O ATOM 741 CB LYS A 50 -0.871 -5.055 -13.064 1.00 0.00 C ATOM 742 CG LYS A 50 -0.088 -6.319 -13.331 1.00 0.00 C ATOM 743 CD LYS A 50 -0.205 -6.763 -14.779 1.00 0.00 C ATOM 744 CE LYS A 50 0.578 -8.045 -15.024 1.00 0.00 C ATOM 745 NZ LYS A 50 0.474 -8.514 -16.428 1.00 0.00 N ATOM 0 H LYS A 50 -1.585 -6.185 -10.909 1.00 0.00 H new ATOM 0 HA LYS A 50 0.429 -4.357 -11.528 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.933 -5.266 -13.191 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.603 -4.311 -13.814 1.00 0.00 H new ATOM 0 HG2 LYS A 50 0.961 -6.155 -13.085 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -0.448 -7.114 -12.677 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -1.254 -6.920 -15.031 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.166 -5.976 -15.435 1.00 0.00 H new ATOM 0 HE2 LYS A 50 1.626 -7.880 -14.776 1.00 0.00 H new ATOM 0 HE3 LYS A 50 0.212 -8.824 -14.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.024 -9.389 -16.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.523 -8.699 -16.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.848 -7.783 -17.067 1.00 0.00 H new ATOM 759 N VAL A 51 -2.520 -3.006 -11.111 1.00 0.00 N ATOM 760 CA VAL A 51 -3.195 -1.749 -10.877 1.00 0.00 C ATOM 761 C VAL A 51 -2.570 -1.032 -9.702 1.00 0.00 C ATOM 762 O VAL A 51 -2.196 0.135 -9.823 1.00 0.00 O ATOM 763 CB VAL A 51 -4.687 -1.900 -10.608 1.00 0.00 C ATOM 764 CG1 VAL A 51 -5.308 -0.558 -10.310 1.00 0.00 C ATOM 765 CG2 VAL A 51 -5.394 -2.577 -11.736 1.00 0.00 C ATOM 0 H VAL A 51 -3.084 -3.830 -10.901 1.00 0.00 H new ATOM 0 HA VAL A 51 -3.080 -1.175 -11.797 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.799 -2.539 -9.732 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.374 -0.684 -10.120 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.832 -0.124 -9.431 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -5.168 0.105 -11.163 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -6.455 -2.663 -11.501 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -5.271 -1.991 -12.647 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -4.973 -3.571 -11.885 1.00 0.00 H new ATOM 775 N LEU A 52 -2.484 -1.705 -8.576 1.00 0.00 N ATOM 776 CA LEU A 52 -1.873 -1.148 -7.388 1.00 0.00 C ATOM 777 C LEU A 52 -0.490 -0.647 -7.669 1.00 0.00 C ATOM 778 O LEU A 52 -0.184 0.478 -7.336 1.00 0.00 O ATOM 779 CB LEU A 52 -1.848 -2.195 -6.312 1.00 0.00 C ATOM 780 CG LEU A 52 -3.212 -2.573 -5.817 1.00 0.00 C ATOM 781 CD1 LEU A 52 -3.175 -3.932 -5.227 1.00 0.00 C ATOM 782 CD2 LEU A 52 -3.694 -1.569 -4.816 1.00 0.00 C ATOM 0 H LEU A 52 -2.836 -2.655 -8.457 1.00 0.00 H new ATOM 0 HA LEU A 52 -2.464 -0.295 -7.055 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.348 -3.085 -6.693 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.254 -1.830 -5.474 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.909 -2.579 -6.655 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.169 -4.201 -4.869 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.856 -4.649 -5.984 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.473 -3.948 -4.393 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.685 -1.854 -4.464 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.004 -1.536 -3.972 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.744 -0.585 -5.282 1.00 0.00 H new ATOM 794 N LEU A 53 0.327 -1.461 -8.323 1.00 0.00 N ATOM 795 CA LEU A 53 1.664 -1.075 -8.687 1.00 0.00 C ATOM 796 C LEU A 53 1.627 0.188 -9.514 1.00 0.00 C ATOM 797 O LEU A 53 2.313 1.129 -9.214 1.00 0.00 O ATOM 798 CB LEU A 53 2.359 -2.202 -9.441 1.00 0.00 C ATOM 799 CG LEU A 53 2.534 -3.495 -8.675 1.00 0.00 C ATOM 800 CD1 LEU A 53 3.220 -4.503 -9.537 1.00 0.00 C ATOM 801 CD2 LEU A 53 3.302 -3.269 -7.391 1.00 0.00 C ATOM 0 H LEU A 53 0.072 -2.406 -8.612 1.00 0.00 H new ATOM 0 HA LEU A 53 2.236 -0.878 -7.780 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.791 -2.412 -10.347 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.342 -1.852 -9.755 1.00 0.00 H new ATOM 0 HG LEU A 53 1.549 -3.875 -8.403 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.344 -5.433 -8.982 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.619 -4.690 -10.427 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.198 -4.124 -9.832 1.00 0.00 H new ATOM 0 HD21 LEU A 53 3.412 -4.215 -6.862 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.288 -2.866 -7.623 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.760 -2.563 -6.762 1.00 0.00 H new ATOM 813 N THR A 54 0.773 0.213 -10.511 1.00 0.00 N ATOM 814 CA THR A 54 0.604 1.336 -11.332 1.00 0.00 C ATOM 815 C THR A 54 0.160 2.604 -10.587 1.00 0.00 C ATOM 816 O THR A 54 0.647 3.703 -10.862 1.00 0.00 O ATOM 817 CB THR A 54 -0.289 0.975 -12.526 1.00 0.00 C ATOM 818 OG1 THR A 54 0.323 -0.017 -13.347 1.00 0.00 O ATOM 819 CG2 THR A 54 -0.737 2.135 -13.330 1.00 0.00 C ATOM 0 H THR A 54 0.175 -0.575 -10.759 1.00 0.00 H new ATOM 0 HA THR A 54 1.586 1.613 -11.715 1.00 0.00 H new ATOM 0 HB THR A 54 -1.198 0.561 -12.089 1.00 0.00 H new ATOM 0 HG1 THR A 54 0.216 -0.898 -12.931 1.00 0.00 H new ATOM 0 HG21 THR A 54 -1.363 1.788 -14.152 1.00 0.00 H new ATOM 0 HG22 THR A 54 -1.310 2.815 -12.700 1.00 0.00 H new ATOM 0 HG23 THR A 54 0.132 2.657 -13.731 1.00 0.00 H new ATOM 827 N HIS A 55 -0.697 2.443 -9.622 1.00 0.00 N ATOM 828 CA HIS A 55 -1.135 3.538 -8.801 1.00 0.00 C ATOM 829 C HIS A 55 -0.054 3.960 -7.795 1.00 0.00 C ATOM 830 O HIS A 55 0.035 5.119 -7.421 1.00 0.00 O ATOM 831 CB HIS A 55 -2.474 3.168 -8.149 1.00 0.00 C ATOM 832 CG HIS A 55 -3.070 4.224 -7.257 1.00 0.00 C ATOM 833 ND1 HIS A 55 -3.919 5.206 -7.700 1.00 0.00 N ATOM 834 CD2 HIS A 55 -2.947 4.417 -5.934 1.00 0.00 C ATOM 835 CE1 HIS A 55 -4.292 5.952 -6.691 1.00 0.00 C ATOM 836 NE2 HIS A 55 -3.716 5.495 -5.609 1.00 0.00 N ATOM 0 H HIS A 55 -1.115 1.545 -9.379 1.00 0.00 H new ATOM 0 HA HIS A 55 -1.300 4.421 -9.418 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -3.190 2.935 -8.937 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -2.335 2.258 -7.565 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -2.350 3.828 -5.254 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -4.960 6.799 -6.743 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -3.825 5.883 -4.672 1.00 0.00 H new ATOM 845 N PHE A 56 0.766 3.020 -7.381 1.00 0.00 N ATOM 846 CA PHE A 56 1.879 3.291 -6.480 1.00 0.00 C ATOM 847 C PHE A 56 3.157 3.650 -7.224 1.00 0.00 C ATOM 848 O PHE A 56 4.226 3.806 -6.625 1.00 0.00 O ATOM 849 CB PHE A 56 2.113 2.122 -5.567 1.00 0.00 C ATOM 850 CG PHE A 56 1.056 1.975 -4.538 1.00 0.00 C ATOM 851 CD1 PHE A 56 0.803 3.012 -3.675 1.00 0.00 C ATOM 852 CD2 PHE A 56 0.342 0.806 -4.410 1.00 0.00 C ATOM 853 CE1 PHE A 56 -0.145 2.899 -2.691 1.00 0.00 C ATOM 854 CE2 PHE A 56 -0.618 0.676 -3.432 1.00 0.00 C ATOM 855 CZ PHE A 56 -0.859 1.729 -2.566 1.00 0.00 C ATOM 0 H PHE A 56 0.685 2.041 -7.657 1.00 0.00 H new ATOM 0 HA PHE A 56 1.602 4.161 -5.884 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.166 1.209 -6.160 1.00 0.00 H new ATOM 0 HB3 PHE A 56 3.079 2.239 -5.075 1.00 0.00 H new ATOM 0 HD1 PHE A 56 1.360 3.932 -3.773 1.00 0.00 H new ATOM 0 HD2 PHE A 56 0.536 -0.017 -5.082 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -0.330 3.723 -2.018 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -1.180 -0.242 -3.341 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.607 1.632 -1.793 1.00 0.00 H new ATOM 865 N LYS A 57 3.015 3.746 -8.526 1.00 0.00 N ATOM 866 CA LYS A 57 4.061 4.171 -9.476 1.00 0.00 C ATOM 867 C LYS A 57 5.194 3.134 -9.600 1.00 0.00 C ATOM 868 O LYS A 57 6.357 3.480 -9.871 1.00 0.00 O ATOM 869 CB LYS A 57 4.614 5.546 -9.109 1.00 0.00 C ATOM 870 CG LYS A 57 3.595 6.678 -9.147 1.00 0.00 C ATOM 871 CD LYS A 57 4.239 8.022 -8.821 1.00 0.00 C ATOM 872 CE LYS A 57 4.851 8.039 -7.420 1.00 0.00 C ATOM 873 NZ LYS A 57 5.518 9.322 -7.115 1.00 0.00 N ATOM 0 H LYS A 57 2.134 3.524 -8.989 1.00 0.00 H new ATOM 0 HA LYS A 57 3.588 4.245 -10.455 1.00 0.00 H new ATOM 0 HB2 LYS A 57 5.041 5.494 -8.107 1.00 0.00 H new ATOM 0 HB3 LYS A 57 5.429 5.787 -9.791 1.00 0.00 H new ATOM 0 HG2 LYS A 57 3.137 6.723 -10.135 1.00 0.00 H new ATOM 0 HG3 LYS A 57 2.796 6.474 -8.434 1.00 0.00 H new ATOM 0 HD2 LYS A 57 5.012 8.242 -9.557 1.00 0.00 H new ATOM 0 HD3 LYS A 57 3.491 8.811 -8.900 1.00 0.00 H new ATOM 0 HE2 LYS A 57 4.070 7.854 -6.683 1.00 0.00 H new ATOM 0 HE3 LYS A 57 5.572 7.227 -7.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 5.917 9.286 -6.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 6.281 9.488 -7.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 4.825 10.096 -7.173 1.00 0.00 H new ATOM 887 N ILE A 58 4.841 1.891 -9.457 1.00 0.00 N ATOM 888 CA ILE A 58 5.732 0.808 -9.572 1.00 0.00 C ATOM 889 C ILE A 58 5.445 0.089 -10.877 1.00 0.00 C ATOM 890 O ILE A 58 4.279 -0.186 -11.176 1.00 0.00 O ATOM 891 CB ILE A 58 5.496 -0.170 -8.434 1.00 0.00 C ATOM 892 CG1 ILE A 58 5.642 0.571 -7.128 1.00 0.00 C ATOM 893 CG2 ILE A 58 6.497 -1.341 -8.515 1.00 0.00 C ATOM 894 CD1 ILE A 58 5.202 -0.215 -5.974 1.00 0.00 C ATOM 0 H ILE A 58 3.883 1.608 -9.249 1.00 0.00 H new ATOM 0 HA ILE A 58 6.758 1.173 -9.541 1.00 0.00 H new ATOM 0 HB ILE A 58 4.492 -0.589 -8.505 1.00 0.00 H new ATOM 0 HG12 ILE A 58 6.686 0.854 -6.992 1.00 0.00 H new ATOM 0 HG13 ILE A 58 5.065 1.494 -7.174 1.00 0.00 H new ATOM 0 HG21 ILE A 58 6.315 -2.033 -7.693 1.00 0.00 H new ATOM 0 HG22 ILE A 58 6.370 -1.863 -9.463 1.00 0.00 H new ATOM 0 HG23 ILE A 58 7.514 -0.956 -8.446 1.00 0.00 H new ATOM 0 HD11 ILE A 58 5.331 0.371 -5.064 1.00 0.00 H new ATOM 0 HD12 ILE A 58 4.150 -0.476 -6.091 1.00 0.00 H new ATOM 0 HD13 ILE A 58 5.796 -1.126 -5.906 1.00 0.00 H new ATOM 906 N PRO A 59 6.455 -0.144 -11.712 1.00 0.00 N ATOM 907 CA PRO A 59 6.311 -0.973 -12.908 1.00 0.00 C ATOM 908 C PRO A 59 5.680 -2.295 -12.576 1.00 0.00 C ATOM 909 O PRO A 59 6.071 -2.983 -11.611 1.00 0.00 O ATOM 910 CB PRO A 59 7.744 -1.181 -13.341 1.00 0.00 C ATOM 911 CG PRO A 59 8.432 0.042 -12.913 1.00 0.00 C ATOM 912 CD PRO A 59 7.807 0.420 -11.600 1.00 0.00 C ATOM 0 HA PRO A 59 5.677 -0.517 -13.669 1.00 0.00 H new ATOM 0 HB2 PRO A 59 8.177 -2.065 -12.873 1.00 0.00 H new ATOM 0 HB3 PRO A 59 7.817 -1.322 -14.419 1.00 0.00 H new ATOM 0 HG2 PRO A 59 9.503 -0.129 -12.802 1.00 0.00 H new ATOM 0 HG3 PRO A 59 8.311 0.838 -13.648 1.00 0.00 H new ATOM 0 HD2 PRO A 59 8.353 -0.001 -10.756 1.00 0.00 H new ATOM 0 HD3 PRO A 59 7.785 1.501 -11.458 1.00 0.00 H new ATOM 920 N VAL A 60 4.713 -2.654 -13.371 1.00 0.00 N ATOM 921 CA VAL A 60 3.951 -3.856 -13.203 1.00 0.00 C ATOM 922 C VAL A 60 4.796 -5.105 -13.329 1.00 0.00 C ATOM 923 O VAL A 60 4.338 -6.172 -13.011 1.00 0.00 O ATOM 924 CB VAL A 60 2.811 -3.923 -14.246 1.00 0.00 C ATOM 925 CG1 VAL A 60 1.827 -2.803 -14.025 1.00 0.00 C ATOM 926 CG2 VAL A 60 3.328 -3.896 -15.650 1.00 0.00 C ATOM 0 H VAL A 60 4.425 -2.101 -14.178 1.00 0.00 H new ATOM 0 HA VAL A 60 3.543 -3.821 -12.193 1.00 0.00 H new ATOM 0 HB VAL A 60 2.302 -4.877 -14.107 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.032 -2.866 -14.768 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.398 -2.887 -13.026 1.00 0.00 H new ATOM 0 HG13 VAL A 60 2.338 -1.845 -14.121 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.491 -3.945 -16.347 1.00 0.00 H new ATOM 0 HG22 VAL A 60 3.884 -2.973 -15.815 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.986 -4.750 -15.812 1.00 0.00 H new ATOM 936 N ASP A 61 6.053 -4.964 -13.772 1.00 0.00 N ATOM 937 CA ASP A 61 6.925 -6.135 -13.930 1.00 0.00 C ATOM 938 C ASP A 61 7.248 -6.749 -12.570 1.00 0.00 C ATOM 939 O ASP A 61 7.607 -7.930 -12.464 1.00 0.00 O ATOM 940 CB ASP A 61 8.226 -5.825 -14.713 1.00 0.00 C ATOM 941 CG ASP A 61 9.250 -4.991 -13.954 1.00 0.00 C ATOM 942 OD1 ASP A 61 9.163 -3.754 -13.965 1.00 0.00 O ATOM 943 OD2 ASP A 61 10.193 -5.557 -13.368 1.00 0.00 O ATOM 0 H ASP A 61 6.481 -4.073 -14.022 1.00 0.00 H new ATOM 0 HA ASP A 61 6.370 -6.857 -14.529 1.00 0.00 H new ATOM 0 HB2 ASP A 61 8.691 -6.767 -15.004 1.00 0.00 H new ATOM 0 HB3 ASP A 61 7.963 -5.302 -15.632 1.00 0.00 H new ATOM 948 N LYS A 62 7.048 -5.967 -11.512 1.00 0.00 N ATOM 949 CA LYS A 62 7.324 -6.425 -10.191 1.00 0.00 C ATOM 950 C LYS A 62 6.155 -7.198 -9.593 1.00 0.00 C ATOM 951 O LYS A 62 6.279 -7.713 -8.505 1.00 0.00 O ATOM 952 CB LYS A 62 7.724 -5.305 -9.242 1.00 0.00 C ATOM 953 CG LYS A 62 9.107 -4.715 -9.432 1.00 0.00 C ATOM 954 CD LYS A 62 9.164 -3.763 -10.581 1.00 0.00 C ATOM 955 CE LYS A 62 10.584 -3.288 -10.813 1.00 0.00 C ATOM 956 NZ LYS A 62 10.722 -2.477 -12.041 1.00 0.00 N ATOM 0 H LYS A 62 6.694 -5.012 -11.565 1.00 0.00 H new ATOM 0 HA LYS A 62 8.176 -7.096 -10.300 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.995 -4.501 -9.338 1.00 0.00 H new ATOM 0 HB3 LYS A 62 7.652 -5.681 -8.222 1.00 0.00 H new ATOM 0 HG2 LYS A 62 9.408 -4.199 -8.520 1.00 0.00 H new ATOM 0 HG3 LYS A 62 9.824 -5.520 -9.594 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.786 -4.248 -11.481 1.00 0.00 H new ATOM 0 HD3 LYS A 62 8.517 -2.908 -10.384 1.00 0.00 H new ATOM 0 HE2 LYS A 62 10.910 -2.699 -9.956 1.00 0.00 H new ATOM 0 HE3 LYS A 62 11.246 -4.152 -10.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 11.702 -2.532 -12.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 10.077 -2.841 -12.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 10.484 -1.486 -11.831 1.00 0.00 H new ATOM 970 N VAL A 63 5.023 -7.250 -10.310 1.00 0.00 N ATOM 971 CA VAL A 63 3.768 -8.016 -9.946 1.00 0.00 C ATOM 972 C VAL A 63 4.123 -9.450 -9.520 1.00 0.00 C ATOM 973 O VAL A 63 3.446 -10.079 -8.722 1.00 0.00 O ATOM 974 CB VAL A 63 2.899 -8.003 -11.232 1.00 0.00 C ATOM 975 CG1 VAL A 63 3.266 -9.022 -12.293 1.00 0.00 C ATOM 976 CG2 VAL A 63 1.458 -8.134 -10.876 1.00 0.00 C ATOM 0 H VAL A 63 4.927 -6.751 -11.194 1.00 0.00 H new ATOM 0 HA VAL A 63 3.237 -7.571 -9.104 1.00 0.00 H new ATOM 0 HB VAL A 63 3.106 -7.038 -11.694 1.00 0.00 H new ATOM 0 HG11 VAL A 63 2.593 -8.920 -13.144 1.00 0.00 H new ATOM 0 HG12 VAL A 63 4.292 -8.853 -12.620 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.178 -10.026 -11.879 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.856 -8.124 -11.785 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.298 -9.073 -10.345 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.164 -7.301 -10.237 1.00 0.00 H new ATOM 986 N SER A 64 5.211 -9.896 -10.069 1.00 0.00 N ATOM 987 CA SER A 64 5.861 -11.140 -9.781 1.00 0.00 C ATOM 988 C SER A 64 6.205 -11.262 -8.273 1.00 0.00 C ATOM 989 O SER A 64 5.894 -12.262 -7.613 1.00 0.00 O ATOM 990 CB SER A 64 7.179 -11.086 -10.526 1.00 0.00 C ATOM 991 OG SER A 64 6.955 -10.809 -11.912 1.00 0.00 O ATOM 0 H SER A 64 5.705 -9.361 -10.783 1.00 0.00 H new ATOM 0 HA SER A 64 5.217 -11.973 -10.063 1.00 0.00 H new ATOM 0 HB2 SER A 64 7.818 -10.316 -10.093 1.00 0.00 H new ATOM 0 HB3 SER A 64 7.705 -12.035 -10.418 1.00 0.00 H new ATOM 0 HG SER A 64 7.150 -9.866 -12.093 1.00 0.00 H new ATOM 997 N SER A 65 6.821 -10.225 -7.760 1.00 0.00 N ATOM 998 CA SER A 65 7.357 -10.162 -6.430 1.00 0.00 C ATOM 999 C SER A 65 6.490 -9.332 -5.499 1.00 0.00 C ATOM 1000 O SER A 65 6.927 -8.953 -4.424 1.00 0.00 O ATOM 1001 CB SER A 65 8.769 -9.583 -6.481 1.00 0.00 C ATOM 1002 OG SER A 65 9.646 -10.459 -7.186 1.00 0.00 O ATOM 0 H SER A 65 6.967 -9.364 -8.287 1.00 0.00 H new ATOM 0 HA SER A 65 7.379 -11.176 -6.031 1.00 0.00 H new ATOM 0 HB2 SER A 65 8.751 -8.608 -6.969 1.00 0.00 H new ATOM 0 HB3 SER A 65 9.140 -9.426 -5.468 1.00 0.00 H new ATOM 0 HG SER A 65 10.546 -10.071 -7.210 1.00 0.00 H new ATOM 1008 N TYR A 66 5.284 -9.051 -5.896 1.00 0.00 N ATOM 1009 CA TYR A 66 4.379 -8.334 -5.049 1.00 0.00 C ATOM 1010 C TYR A 66 3.235 -9.199 -4.654 1.00 0.00 C ATOM 1011 O TYR A 66 2.766 -10.026 -5.444 1.00 0.00 O ATOM 1012 CB TYR A 66 3.900 -7.038 -5.668 1.00 0.00 C ATOM 1013 CG TYR A 66 4.847 -5.889 -5.477 1.00 0.00 C ATOM 1014 CD1 TYR A 66 5.850 -5.617 -6.379 1.00 0.00 C ATOM 1015 CD2 TYR A 66 4.715 -5.068 -4.388 1.00 0.00 C ATOM 1016 CE1 TYR A 66 6.702 -4.546 -6.198 1.00 0.00 C ATOM 1017 CE2 TYR A 66 5.541 -4.002 -4.192 1.00 0.00 C ATOM 1018 CZ TYR A 66 6.540 -3.737 -5.101 1.00 0.00 C ATOM 1019 OH TYR A 66 7.378 -2.668 -4.911 1.00 0.00 O ATOM 0 H TYR A 66 4.903 -9.309 -6.806 1.00 0.00 H new ATOM 0 HA TYR A 66 4.933 -8.058 -4.152 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.742 -7.193 -6.735 1.00 0.00 H new ATOM 0 HB3 TYR A 66 2.934 -6.776 -5.237 1.00 0.00 H new ATOM 0 HD1 TYR A 66 5.973 -6.252 -7.244 1.00 0.00 H new ATOM 0 HD2 TYR A 66 3.937 -5.271 -3.667 1.00 0.00 H new ATOM 0 HE1 TYR A 66 7.488 -4.347 -6.912 1.00 0.00 H new ATOM 0 HE2 TYR A 66 5.412 -3.368 -3.327 1.00 0.00 H new ATOM 0 HH TYR A 66 7.127 -2.198 -4.088 1.00 0.00 H new ATOM 1029 N ALA A 67 2.810 -9.039 -3.432 1.00 0.00 N ATOM 1030 CA ALA A 67 1.743 -9.805 -2.902 1.00 0.00 C ATOM 1031 C ALA A 67 1.048 -9.042 -1.818 1.00 0.00 C ATOM 1032 O ALA A 67 1.639 -8.161 -1.178 1.00 0.00 O ATOM 1033 CB ALA A 67 2.252 -11.119 -2.364 1.00 0.00 C ATOM 0 H ALA A 67 3.206 -8.364 -2.778 1.00 0.00 H new ATOM 0 HA ALA A 67 1.033 -10.008 -3.703 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.419 -11.694 -1.961 1.00 0.00 H new ATOM 0 HB2 ALA A 67 2.726 -11.682 -3.168 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.979 -10.932 -1.574 1.00 0.00 H new ATOM 1039 N LEU A 68 -0.198 -9.358 -1.654 1.00 0.00 N ATOM 1040 CA LEU A 68 -1.025 -8.790 -0.636 1.00 0.00 C ATOM 1041 C LEU A 68 -0.794 -9.566 0.650 1.00 0.00 C ATOM 1042 O LEU A 68 -0.909 -10.787 0.663 1.00 0.00 O ATOM 1043 CB LEU A 68 -2.482 -8.932 -1.080 1.00 0.00 C ATOM 1044 CG LEU A 68 -2.833 -8.279 -2.427 1.00 0.00 C ATOM 1045 CD1 LEU A 68 -4.240 -8.648 -2.834 1.00 0.00 C ATOM 1046 CD2 LEU A 68 -2.688 -6.758 -2.357 1.00 0.00 C ATOM 0 H LEU A 68 -0.682 -10.037 -2.241 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.792 -7.738 -0.472 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.724 -9.993 -1.137 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -3.121 -8.500 -0.310 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.135 -8.653 -3.176 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.477 -8.180 -3.789 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.318 -9.731 -2.931 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.941 -8.300 -2.075 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.943 -6.323 -3.324 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.359 -6.363 -1.594 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.659 -6.502 -2.104 1.00 0.00 H new ATOM 1058 N GLN A 69 -0.429 -8.894 1.693 1.00 0.00 N ATOM 1059 CA GLN A 69 -0.158 -9.552 2.956 1.00 0.00 C ATOM 1060 C GLN A 69 -1.206 -9.127 3.973 1.00 0.00 C ATOM 1061 O GLN A 69 -1.791 -8.044 3.856 1.00 0.00 O ATOM 1062 CB GLN A 69 1.239 -9.154 3.487 1.00 0.00 C ATOM 1063 CG GLN A 69 1.738 -9.958 4.693 1.00 0.00 C ATOM 1064 CD GLN A 69 2.734 -9.201 5.542 1.00 0.00 C ATOM 1065 OE1 GLN A 69 2.249 -8.562 6.561 1.00 0.00 O flip ATOM 1066 NE2 GLN A 69 3.928 -9.238 5.315 1.00 0.00 N flip ATOM 0 H GLN A 69 -0.307 -7.881 1.708 1.00 0.00 H new ATOM 0 HA GLN A 69 -0.188 -10.631 2.803 1.00 0.00 H new ATOM 0 HB2 GLN A 69 1.961 -9.261 2.677 1.00 0.00 H new ATOM 0 HB3 GLN A 69 1.218 -8.099 3.759 1.00 0.00 H new ATOM 0 HG2 GLN A 69 0.886 -10.242 5.310 1.00 0.00 H new ATOM 0 HG3 GLN A 69 2.198 -10.881 4.341 1.00 0.00 H new ATOM 0 HE21 GLN A 69 4.277 -9.750 4.505 1.00 0.00 H new ATOM 0 HE22 GLN A 69 4.580 -8.757 5.935 1.00 0.00 H new ATOM 1075 N ASN A 70 -1.455 -9.977 4.932 1.00 0.00 N ATOM 1076 CA ASN A 70 -2.339 -9.677 6.036 1.00 0.00 C ATOM 1077 C ASN A 70 -1.540 -8.951 7.121 1.00 0.00 C ATOM 1078 O ASN A 70 -0.405 -9.334 7.411 1.00 0.00 O ATOM 1079 CB ASN A 70 -2.905 -10.970 6.620 1.00 0.00 C ATOM 1080 CG ASN A 70 -3.878 -10.725 7.770 1.00 0.00 C ATOM 1081 OD1 ASN A 70 -3.472 -10.621 8.920 1.00 0.00 O ATOM 1082 ND2 ASN A 70 -5.138 -10.650 7.485 1.00 0.00 N ATOM 0 H ASN A 70 -1.046 -10.911 4.973 1.00 0.00 H new ATOM 0 HA ASN A 70 -3.160 -9.053 5.683 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -3.413 -11.527 5.833 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -2.084 -11.594 6.972 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -5.821 -10.501 8.228 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -5.448 -10.740 6.518 1.00 0.00 H new ATOM 1089 N PRO A 71 -2.103 -7.907 7.726 1.00 0.00 N ATOM 1090 CA PRO A 71 -1.423 -7.120 8.774 1.00 0.00 C ATOM 1091 C PRO A 71 -1.234 -7.829 10.129 1.00 0.00 C ATOM 1092 O PRO A 71 -0.497 -7.330 10.983 1.00 0.00 O ATOM 1093 CB PRO A 71 -2.349 -5.933 8.967 1.00 0.00 C ATOM 1094 CG PRO A 71 -3.690 -6.413 8.540 1.00 0.00 C ATOM 1095 CD PRO A 71 -3.439 -7.352 7.409 1.00 0.00 C ATOM 0 HA PRO A 71 -0.405 -6.893 8.456 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -2.360 -5.607 10.007 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -2.027 -5.081 8.369 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -4.206 -6.915 9.359 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -4.322 -5.582 8.227 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -4.198 -8.133 7.357 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -3.444 -6.837 6.448 1.00 0.00 H new ATOM 1103 N PHE A 72 -1.896 -8.939 10.358 1.00 0.00 N ATOM 1104 CA PHE A 72 -1.789 -9.580 11.640 1.00 0.00 C ATOM 1105 C PHE A 72 -1.123 -10.918 11.567 1.00 0.00 C ATOM 1106 O PHE A 72 -0.235 -11.237 12.362 1.00 0.00 O ATOM 1107 CB PHE A 72 -3.170 -9.725 12.270 1.00 0.00 C ATOM 1108 CG PHE A 72 -3.819 -8.400 12.534 1.00 0.00 C ATOM 1109 CD1 PHE A 72 -3.424 -7.626 13.610 1.00 0.00 C ATOM 1110 CD2 PHE A 72 -4.805 -7.919 11.694 1.00 0.00 C ATOM 1111 CE1 PHE A 72 -3.999 -6.395 13.843 1.00 0.00 C ATOM 1112 CE2 PHE A 72 -5.384 -6.695 11.923 1.00 0.00 C ATOM 1113 CZ PHE A 72 -4.980 -5.929 12.998 1.00 0.00 C ATOM 0 H PHE A 72 -2.503 -9.407 9.685 1.00 0.00 H new ATOM 0 HA PHE A 72 -1.160 -8.941 12.260 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -3.807 -10.314 11.610 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -3.083 -10.277 13.206 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -2.656 -7.990 14.276 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -5.123 -8.511 10.849 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -3.681 -5.799 14.685 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -6.156 -6.331 11.261 1.00 0.00 H new ATOM 0 HZ PHE A 72 -5.433 -4.965 13.176 1.00 0.00 H new ATOM 1123 N THR A 73 -1.514 -11.677 10.600 1.00 0.00 N ATOM 1124 CA THR A 73 -1.030 -13.028 10.446 1.00 0.00 C ATOM 1125 C THR A 73 0.253 -13.019 9.633 1.00 0.00 C ATOM 1126 O THR A 73 1.030 -13.983 9.649 1.00 0.00 O ATOM 1127 CB THR A 73 -2.068 -13.869 9.711 1.00 0.00 C ATOM 1128 OG1 THR A 73 -2.227 -13.354 8.381 1.00 0.00 O ATOM 1129 CG2 THR A 73 -3.407 -13.798 10.428 1.00 0.00 C ATOM 0 H THR A 73 -2.181 -11.387 9.885 1.00 0.00 H new ATOM 0 HA THR A 73 -0.844 -13.451 11.433 1.00 0.00 H new ATOM 0 HB THR A 73 -1.732 -14.905 9.682 1.00 0.00 H new ATOM 0 HG1 THR A 73 -2.892 -13.890 7.900 1.00 0.00 H new ATOM 0 HG21 THR A 73 -4.139 -14.403 9.893 1.00 0.00 H new ATOM 0 HG22 THR A 73 -3.296 -14.177 11.444 1.00 0.00 H new ATOM 0 HG23 THR A 73 -3.747 -12.763 10.462 1.00 0.00 H new ATOM 1137 N LEU A 74 0.448 -11.910 8.911 1.00 0.00 N ATOM 1138 CA LEU A 74 1.582 -11.685 8.023 1.00 0.00 C ATOM 1139 C LEU A 74 1.585 -12.690 6.890 1.00 0.00 C ATOM 1140 O LEU A 74 2.609 -12.922 6.236 1.00 0.00 O ATOM 1141 CB LEU A 74 2.910 -11.693 8.778 1.00 0.00 C ATOM 1142 CG LEU A 74 3.013 -10.758 9.959 1.00 0.00 C ATOM 1143 CD1 LEU A 74 4.452 -10.528 10.314 1.00 0.00 C ATOM 1144 CD2 LEU A 74 2.263 -9.455 9.747 1.00 0.00 C ATOM 0 H LEU A 74 -0.201 -11.124 8.933 1.00 0.00 H new ATOM 0 HA LEU A 74 1.469 -10.690 7.593 1.00 0.00 H new ATOM 0 HB2 LEU A 74 3.099 -12.708 9.128 1.00 0.00 H new ATOM 0 HB3 LEU A 74 3.705 -11.445 8.075 1.00 0.00 H new ATOM 0 HG LEU A 74 2.523 -11.242 10.804 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.513 -9.852 11.167 1.00 0.00 H new ATOM 0 HD12 LEU A 74 4.920 -11.479 10.570 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.970 -10.086 9.463 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.373 -8.824 10.629 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.670 -8.938 8.878 1.00 0.00 H new ATOM 0 HD23 LEU A 74 1.206 -9.666 9.582 1.00 0.00 H new ATOM 1156 N ALA A 75 0.416 -13.253 6.631 1.00 0.00 N ATOM 1157 CA ALA A 75 0.263 -14.207 5.581 1.00 0.00 C ATOM 1158 C ALA A 75 0.106 -13.503 4.274 1.00 0.00 C ATOM 1159 O ALA A 75 -0.561 -12.465 4.196 1.00 0.00 O ATOM 1160 CB ALA A 75 -0.939 -15.078 5.835 1.00 0.00 C ATOM 0 H ALA A 75 -0.440 -13.053 7.148 1.00 0.00 H new ATOM 0 HA ALA A 75 1.153 -14.835 5.549 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -1.042 -15.801 5.025 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.812 -15.607 6.780 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -1.834 -14.458 5.884 1.00 0.00 H new ATOM 1166 N TYR A 76 0.700 -14.038 3.268 1.00 0.00 N ATOM 1167 CA TYR A 76 0.613 -13.481 1.956 1.00 0.00 C ATOM 1168 C TYR A 76 -0.379 -14.231 1.136 1.00 0.00 C ATOM 1169 O TYR A 76 -0.534 -15.447 1.282 1.00 0.00 O ATOM 1170 CB TYR A 76 1.935 -13.515 1.267 1.00 0.00 C ATOM 1171 CG TYR A 76 2.908 -12.497 1.742 1.00 0.00 C ATOM 1172 CD1 TYR A 76 3.675 -12.695 2.864 1.00 0.00 C ATOM 1173 CD2 TYR A 76 3.093 -11.363 1.015 1.00 0.00 C ATOM 1174 CE1 TYR A 76 4.620 -11.769 3.235 1.00 0.00 C ATOM 1175 CE2 TYR A 76 4.011 -10.424 1.361 1.00 0.00 C ATOM 1176 CZ TYR A 76 4.788 -10.626 2.472 1.00 0.00 C ATOM 1177 OH TYR A 76 5.740 -9.698 2.818 1.00 0.00 O ATOM 0 H TYR A 76 1.267 -14.884 3.328 1.00 0.00 H new ATOM 0 HA TYR A 76 0.294 -12.444 2.062 1.00 0.00 H new ATOM 0 HB2 TYR A 76 2.372 -14.505 1.398 1.00 0.00 H new ATOM 0 HB3 TYR A 76 1.776 -13.375 0.198 1.00 0.00 H new ATOM 0 HD1 TYR A 76 3.534 -13.585 3.459 1.00 0.00 H new ATOM 0 HD2 TYR A 76 2.490 -11.204 0.133 1.00 0.00 H new ATOM 0 HE1 TYR A 76 5.226 -11.931 4.114 1.00 0.00 H new ATOM 0 HE2 TYR A 76 4.127 -9.529 0.768 1.00 0.00 H new ATOM 0 HH TYR A 76 5.893 -9.090 2.065 1.00 0.00 H new ATOM 1187 N VAL A 77 -1.067 -13.519 0.320 1.00 0.00 N ATOM 1188 CA VAL A 77 -1.991 -14.081 -0.608 1.00 0.00 C ATOM 1189 C VAL A 77 -1.188 -14.630 -1.778 1.00 0.00 C ATOM 1190 O VAL A 77 -0.613 -13.865 -2.555 1.00 0.00 O ATOM 1191 CB VAL A 77 -2.988 -12.981 -1.095 1.00 0.00 C ATOM 1192 CG1 VAL A 77 -3.975 -13.523 -2.118 1.00 0.00 C ATOM 1193 CG2 VAL A 77 -3.734 -12.380 0.097 1.00 0.00 C ATOM 0 H VAL A 77 -1.005 -12.502 0.274 1.00 0.00 H new ATOM 0 HA VAL A 77 -2.572 -14.878 -0.144 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.405 -12.201 -1.585 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.650 -12.726 -2.430 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -3.431 -13.898 -2.985 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -4.552 -14.333 -1.673 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.426 -11.615 -0.255 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.291 -13.164 0.611 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -3.018 -11.932 0.786 1.00 0.00 H new ATOM 1203 N GLU A 78 -1.101 -15.952 -1.864 1.00 0.00 N ATOM 1204 CA GLU A 78 -0.336 -16.595 -2.919 1.00 0.00 C ATOM 1205 C GLU A 78 -1.267 -17.080 -4.010 1.00 0.00 C ATOM 1206 O GLU A 78 -0.870 -17.806 -4.932 1.00 0.00 O ATOM 1207 CB GLU A 78 0.482 -17.739 -2.406 1.00 0.00 C ATOM 1208 CG GLU A 78 1.523 -17.400 -1.351 1.00 0.00 C ATOM 1209 CD GLU A 78 2.749 -16.692 -1.879 1.00 0.00 C ATOM 1210 OE1 GLU A 78 3.177 -16.968 -3.032 1.00 0.00 O ATOM 1211 OE2 GLU A 78 3.345 -15.876 -1.128 1.00 0.00 O ATOM 0 H GLU A 78 -1.551 -16.597 -1.215 1.00 0.00 H new ATOM 0 HA GLU A 78 0.352 -15.852 -3.322 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -0.195 -18.486 -1.991 1.00 0.00 H new ATOM 0 HB3 GLU A 78 0.990 -18.203 -3.251 1.00 0.00 H new ATOM 0 HG2 GLU A 78 1.058 -16.774 -0.589 1.00 0.00 H new ATOM 0 HG3 GLU A 78 1.836 -18.321 -0.859 1.00 0.00 H new ATOM 1218 N ASP A 79 -2.495 -16.653 -3.910 1.00 0.00 N ATOM 1219 CA ASP A 79 -3.527 -16.991 -4.825 1.00 0.00 C ATOM 1220 C ASP A 79 -3.325 -16.285 -6.124 1.00 0.00 C ATOM 1221 O ASP A 79 -2.711 -15.217 -6.202 1.00 0.00 O ATOM 1222 CB ASP A 79 -4.893 -16.539 -4.297 1.00 0.00 C ATOM 1223 CG ASP A 79 -5.250 -17.091 -2.933 1.00 0.00 C ATOM 1224 OD1 ASP A 79 -4.699 -16.617 -1.914 1.00 0.00 O ATOM 1225 OD2 ASP A 79 -6.106 -18.010 -2.854 1.00 0.00 O ATOM 0 H ASP A 79 -2.807 -16.038 -3.158 1.00 0.00 H new ATOM 0 HA ASP A 79 -3.496 -18.073 -4.952 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -4.909 -15.450 -4.250 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -5.662 -16.839 -5.009 1.00 0.00 H new ATOM 1230 N SER A 80 -3.815 -16.891 -7.124 1.00 0.00 N ATOM 1231 CA SER A 80 -3.835 -16.355 -8.420 1.00 0.00 C ATOM 1232 C SER A 80 -5.032 -15.436 -8.589 1.00 0.00 C ATOM 1233 O SER A 80 -4.941 -14.369 -9.195 1.00 0.00 O ATOM 1234 CB SER A 80 -3.879 -17.476 -9.386 1.00 0.00 C ATOM 1235 OG SER A 80 -2.691 -18.272 -9.280 1.00 0.00 O ATOM 0 H SER A 80 -4.234 -17.819 -7.061 1.00 0.00 H new ATOM 0 HA SER A 80 -2.939 -15.760 -8.598 1.00 0.00 H new ATOM 0 HB2 SER A 80 -4.757 -18.094 -9.197 1.00 0.00 H new ATOM 0 HB3 SER A 80 -3.975 -17.088 -10.400 1.00 0.00 H new ATOM 0 HG SER A 80 -2.734 -19.011 -9.923 1.00 0.00 H new ATOM 1241 N PHE A 81 -6.125 -15.823 -8.011 1.00 0.00 N ATOM 1242 CA PHE A 81 -7.335 -15.083 -8.034 1.00 0.00 C ATOM 1243 C PHE A 81 -7.839 -14.933 -6.609 1.00 0.00 C ATOM 1244 O PHE A 81 -7.607 -15.800 -5.769 1.00 0.00 O ATOM 1245 CB PHE A 81 -8.362 -15.797 -8.873 1.00 0.00 C ATOM 1246 CG PHE A 81 -8.098 -15.805 -10.355 1.00 0.00 C ATOM 1247 CD1 PHE A 81 -7.181 -16.681 -10.900 1.00 0.00 C ATOM 1248 CD2 PHE A 81 -8.781 -14.947 -11.201 1.00 0.00 C ATOM 1249 CE1 PHE A 81 -6.941 -16.703 -12.259 1.00 0.00 C ATOM 1250 CE2 PHE A 81 -8.546 -14.960 -12.561 1.00 0.00 C ATOM 1251 CZ PHE A 81 -7.625 -15.838 -13.092 1.00 0.00 C ATOM 0 H PHE A 81 -6.196 -16.698 -7.491 1.00 0.00 H new ATOM 0 HA PHE A 81 -7.159 -14.100 -8.470 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -8.433 -16.829 -8.529 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -9.334 -15.335 -8.697 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -6.644 -17.359 -10.254 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -9.506 -14.259 -10.792 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -6.221 -17.394 -12.670 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -9.083 -14.283 -13.209 1.00 0.00 H new ATOM 0 HZ PHE A 81 -7.439 -15.850 -14.156 1.00 0.00 H new ATOM 1261 N LEU A 82 -8.519 -13.849 -6.345 1.00 0.00 N ATOM 1262 CA LEU A 82 -9.038 -13.567 -5.020 1.00 0.00 C ATOM 1263 C LEU A 82 -10.358 -14.245 -4.812 1.00 0.00 C ATOM 1264 O LEU A 82 -11.033 -14.653 -5.766 1.00 0.00 O ATOM 1265 CB LEU A 82 -9.225 -12.065 -4.831 1.00 0.00 C ATOM 1266 CG LEU A 82 -7.962 -11.273 -4.497 1.00 0.00 C ATOM 1267 CD1 LEU A 82 -8.273 -9.800 -4.380 1.00 0.00 C ATOM 1268 CD2 LEU A 82 -7.348 -11.785 -3.192 1.00 0.00 C ATOM 0 H LEU A 82 -8.732 -13.132 -7.038 1.00 0.00 H new ATOM 0 HA LEU A 82 -8.318 -13.944 -4.294 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -9.657 -11.654 -5.743 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -9.952 -11.906 -4.034 1.00 0.00 H new ATOM 0 HG LEU A 82 -7.244 -11.412 -5.306 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -7.361 -9.253 -4.142 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -8.677 -9.437 -5.325 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -9.006 -9.645 -3.589 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -6.448 -11.213 -2.964 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -8.067 -11.669 -2.381 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -7.090 -12.839 -3.300 1.00 0.00 H new ATOM 1280 N THR A 83 -10.711 -14.364 -3.583 1.00 0.00 N ATOM 1281 CA THR A 83 -11.943 -14.904 -3.191 1.00 0.00 C ATOM 1282 C THR A 83 -12.677 -13.833 -2.406 1.00 0.00 C ATOM 1283 O THR A 83 -12.024 -12.924 -1.861 1.00 0.00 O ATOM 1284 CB THR A 83 -11.727 -16.147 -2.301 1.00 0.00 C ATOM 1285 OG1 THR A 83 -10.926 -15.797 -1.160 1.00 0.00 O ATOM 1286 CG2 THR A 83 -11.034 -17.247 -3.074 1.00 0.00 C ATOM 0 H THR A 83 -10.122 -14.075 -2.802 1.00 0.00 H new ATOM 0 HA THR A 83 -12.518 -15.211 -4.065 1.00 0.00 H new ATOM 0 HB THR A 83 -12.703 -16.505 -1.974 1.00 0.00 H new ATOM 0 HG1 THR A 83 -10.794 -16.589 -0.598 1.00 0.00 H new ATOM 0 HG21 THR A 83 -10.892 -18.113 -2.427 1.00 0.00 H new ATOM 0 HG22 THR A 83 -11.645 -17.530 -3.931 1.00 0.00 H new ATOM 0 HG23 THR A 83 -10.064 -16.892 -3.422 1.00 0.00 H new ATOM 1294 N PRO A 84 -14.019 -13.883 -2.338 1.00 0.00 N ATOM 1295 CA PRO A 84 -14.789 -12.946 -1.511 1.00 0.00 C ATOM 1296 C PRO A 84 -14.345 -13.057 -0.053 1.00 0.00 C ATOM 1297 O PRO A 84 -14.326 -12.085 0.677 1.00 0.00 O ATOM 1298 CB PRO A 84 -16.239 -13.421 -1.674 1.00 0.00 C ATOM 1299 CG PRO A 84 -16.250 -14.170 -2.962 1.00 0.00 C ATOM 1300 CD PRO A 84 -14.898 -14.813 -3.080 1.00 0.00 C ATOM 0 HA PRO A 84 -14.656 -11.904 -1.802 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -16.543 -14.058 -0.843 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -16.931 -12.579 -1.700 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -17.041 -14.920 -2.970 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -16.438 -13.500 -3.801 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -14.887 -15.812 -2.644 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -14.590 -14.916 -4.120 1.00 0.00 H new ATOM 1308 N GLU A 85 -13.948 -14.263 0.329 1.00 0.00 N ATOM 1309 CA GLU A 85 -13.429 -14.560 1.650 1.00 0.00 C ATOM 1310 C GLU A 85 -12.142 -13.768 1.938 1.00 0.00 C ATOM 1311 O GLU A 85 -11.968 -13.223 3.034 1.00 0.00 O ATOM 1312 CB GLU A 85 -13.174 -16.055 1.747 1.00 0.00 C ATOM 1313 CG GLU A 85 -14.401 -16.889 1.418 1.00 0.00 C ATOM 1314 CD GLU A 85 -14.142 -18.362 1.477 1.00 0.00 C ATOM 1315 OE1 GLU A 85 -13.591 -18.921 0.503 1.00 0.00 O ATOM 1316 OE2 GLU A 85 -14.501 -19.006 2.485 1.00 0.00 O ATOM 0 H GLU A 85 -13.980 -15.076 -0.286 1.00 0.00 H new ATOM 0 HA GLU A 85 -14.162 -14.260 2.399 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -12.365 -16.325 1.068 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -12.837 -16.296 2.755 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -15.201 -16.638 2.115 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -14.754 -16.628 0.420 1.00 0.00 H new ATOM 1323 N ARG A 86 -11.260 -13.696 0.942 1.00 0.00 N ATOM 1324 CA ARG A 86 -10.018 -12.936 1.060 1.00 0.00 C ATOM 1325 C ARG A 86 -10.311 -11.479 1.213 1.00 0.00 C ATOM 1326 O ARG A 86 -9.658 -10.784 1.982 1.00 0.00 O ATOM 1327 CB ARG A 86 -9.102 -13.194 -0.096 1.00 0.00 C ATOM 1328 CG ARG A 86 -8.225 -14.420 0.043 1.00 0.00 C ATOM 1329 CD ARG A 86 -7.154 -14.192 1.088 1.00 0.00 C ATOM 1330 NE ARG A 86 -7.643 -14.164 2.457 1.00 0.00 N ATOM 1331 CZ ARG A 86 -7.007 -13.559 3.466 1.00 0.00 C ATOM 1332 NH1 ARG A 86 -5.876 -12.906 3.236 1.00 0.00 N ATOM 1333 NH2 ARG A 86 -7.508 -13.592 4.682 1.00 0.00 N ATOM 0 H ARG A 86 -11.384 -14.157 0.041 1.00 0.00 H new ATOM 0 HA ARG A 86 -9.499 -13.274 1.957 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -9.702 -13.296 -1.000 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -8.462 -12.322 -0.235 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -8.834 -15.280 0.320 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -7.762 -14.653 -0.916 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -6.405 -14.979 0.999 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -6.652 -13.248 0.876 1.00 0.00 H new ATOM 0 HE ARG A 86 -8.525 -14.634 2.660 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -5.493 -12.866 2.291 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -5.389 -12.444 4.004 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -8.386 -14.081 4.859 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -7.019 -13.129 5.448 1.00 0.00 H new ATOM 1347 N LEU A 87 -11.304 -11.043 0.498 1.00 0.00 N ATOM 1348 CA LEU A 87 -11.758 -9.689 0.550 1.00 0.00 C ATOM 1349 C LEU A 87 -12.336 -9.387 1.921 1.00 0.00 C ATOM 1350 O LEU A 87 -11.992 -8.391 2.542 1.00 0.00 O ATOM 1351 CB LEU A 87 -12.802 -9.465 -0.522 1.00 0.00 C ATOM 1352 CG LEU A 87 -12.395 -9.756 -1.937 1.00 0.00 C ATOM 1353 CD1 LEU A 87 -13.534 -9.440 -2.884 1.00 0.00 C ATOM 1354 CD2 LEU A 87 -11.196 -8.948 -2.272 1.00 0.00 C ATOM 0 H LEU A 87 -11.830 -11.630 -0.149 1.00 0.00 H new ATOM 0 HA LEU A 87 -10.917 -9.018 0.373 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -13.669 -10.081 -0.285 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -13.125 -8.425 -0.469 1.00 0.00 H new ATOM 0 HG LEU A 87 -12.154 -10.814 -2.040 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -13.227 -9.655 -3.907 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -14.400 -10.051 -2.629 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -13.797 -8.386 -2.798 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -10.894 -9.154 -3.299 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -11.431 -7.889 -2.168 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -10.382 -9.207 -1.595 1.00 0.00 H new ATOM 1366 N VAL A 88 -13.184 -10.265 2.387 1.00 0.00 N ATOM 1367 CA VAL A 88 -13.828 -10.134 3.642 1.00 0.00 C ATOM 1368 C VAL A 88 -12.889 -10.118 4.814 1.00 0.00 C ATOM 1369 O VAL A 88 -13.015 -9.274 5.716 1.00 0.00 O ATOM 1370 CB VAL A 88 -15.019 -11.115 3.742 1.00 0.00 C ATOM 1371 CG1 VAL A 88 -15.410 -11.269 5.159 1.00 0.00 C ATOM 1372 CG2 VAL A 88 -16.227 -10.741 2.917 1.00 0.00 C ATOM 0 H VAL A 88 -13.445 -11.111 1.880 1.00 0.00 H new ATOM 0 HA VAL A 88 -14.260 -9.135 3.699 1.00 0.00 H new ATOM 0 HB VAL A 88 -14.663 -12.056 3.322 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -16.250 -11.960 5.232 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -14.567 -11.661 5.729 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -15.702 -10.300 5.563 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -17.007 -11.490 3.054 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -16.598 -9.767 3.236 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -15.949 -10.696 1.864 1.00 0.00 H new ATOM 1382 N GLU A 89 -11.933 -11.001 4.811 1.00 0.00 N ATOM 1383 CA GLU A 89 -10.926 -10.950 5.826 1.00 0.00 C ATOM 1384 C GLU A 89 -10.030 -9.723 5.699 1.00 0.00 C ATOM 1385 O GLU A 89 -9.424 -9.266 6.682 1.00 0.00 O ATOM 1386 CB GLU A 89 -10.128 -12.179 5.854 1.00 0.00 C ATOM 1387 CG GLU A 89 -10.817 -13.375 6.451 1.00 0.00 C ATOM 1388 CD GLU A 89 -9.867 -14.516 6.592 1.00 0.00 C ATOM 1389 OE1 GLU A 89 -9.572 -15.174 5.588 1.00 0.00 O ATOM 1390 OE2 GLU A 89 -9.343 -14.735 7.706 1.00 0.00 O ATOM 0 H GLU A 89 -11.831 -11.752 4.129 1.00 0.00 H new ATOM 0 HA GLU A 89 -11.452 -10.865 6.777 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -9.829 -12.423 4.834 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -9.214 -11.987 6.417 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -11.228 -13.115 7.427 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -11.656 -13.670 5.820 1.00 0.00 H new ATOM 1397 N ALA A 90 -9.904 -9.230 4.513 1.00 0.00 N ATOM 1398 CA ALA A 90 -9.136 -8.005 4.280 1.00 0.00 C ATOM 1399 C ALA A 90 -9.870 -6.744 4.735 1.00 0.00 C ATOM 1400 O ALA A 90 -9.245 -5.897 5.369 1.00 0.00 O ATOM 1401 CB ALA A 90 -8.642 -7.885 2.876 1.00 0.00 C ATOM 0 H ALA A 90 -10.315 -9.641 3.675 1.00 0.00 H new ATOM 0 HA ALA A 90 -8.253 -8.095 4.913 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -8.081 -6.957 2.766 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -7.994 -8.731 2.645 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -9.490 -7.879 2.191 1.00 0.00 H new ATOM 1407 N GLU A 91 -11.179 -6.616 4.437 1.00 0.00 N ATOM 1408 CA GLU A 91 -11.954 -5.466 4.909 1.00 0.00 C ATOM 1409 C GLU A 91 -11.892 -5.270 6.399 1.00 0.00 C ATOM 1410 O GLU A 91 -12.153 -4.180 6.896 1.00 0.00 O ATOM 1411 CB GLU A 91 -13.386 -5.535 4.525 1.00 0.00 C ATOM 1412 CG GLU A 91 -13.699 -5.005 3.166 1.00 0.00 C ATOM 1413 CD GLU A 91 -15.162 -4.716 3.026 1.00 0.00 C ATOM 1414 OE1 GLU A 91 -15.997 -5.561 3.415 1.00 0.00 O ATOM 1415 OE2 GLU A 91 -15.522 -3.622 2.557 1.00 0.00 O ATOM 0 H GLU A 91 -11.709 -7.287 3.880 1.00 0.00 H new ATOM 0 HA GLU A 91 -11.478 -4.619 4.414 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -13.711 -6.574 4.577 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -13.971 -4.980 5.259 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -13.126 -4.095 2.986 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -13.394 -5.729 2.410 1.00 0.00 H new ATOM 1422 N LYS A 92 -11.595 -6.344 7.109 1.00 0.00 N ATOM 1423 CA LYS A 92 -11.386 -6.309 8.522 1.00 0.00 C ATOM 1424 C LYS A 92 -10.385 -5.242 8.927 1.00 0.00 C ATOM 1425 O LYS A 92 -10.500 -4.652 10.004 1.00 0.00 O ATOM 1426 CB LYS A 92 -10.916 -7.637 8.963 1.00 0.00 C ATOM 1427 CG LYS A 92 -12.009 -8.646 8.852 1.00 0.00 C ATOM 1428 CD LYS A 92 -11.523 -9.957 9.268 1.00 0.00 C ATOM 1429 CE LYS A 92 -12.628 -10.986 9.231 1.00 0.00 C ATOM 1430 NZ LYS A 92 -13.594 -10.800 10.327 1.00 0.00 N ATOM 0 H LYS A 92 -11.494 -7.273 6.701 1.00 0.00 H new ATOM 0 HA LYS A 92 -12.331 -6.057 9.003 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -10.065 -7.947 8.357 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -10.569 -7.581 9.995 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -12.854 -8.349 9.473 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -12.369 -8.692 7.824 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -10.709 -10.270 8.614 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -11.115 -9.893 10.277 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -13.148 -10.925 8.275 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -12.195 -11.984 9.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -14.235 -11.618 10.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -13.083 -10.715 11.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -14.147 -9.935 10.159 1.00 0.00 H new ATOM 1444 N SER A 93 -9.378 -5.027 8.089 1.00 0.00 N ATOM 1445 CA SER A 93 -8.411 -3.990 8.308 1.00 0.00 C ATOM 1446 C SER A 93 -7.915 -3.318 6.992 1.00 0.00 C ATOM 1447 O SER A 93 -8.406 -2.250 6.599 1.00 0.00 O ATOM 1448 CB SER A 93 -7.274 -4.526 9.136 1.00 0.00 C ATOM 1449 OG SER A 93 -7.749 -5.038 10.379 1.00 0.00 O ATOM 0 H SER A 93 -9.220 -5.573 7.242 1.00 0.00 H new ATOM 0 HA SER A 93 -8.905 -3.190 8.860 1.00 0.00 H new ATOM 0 HB2 SER A 93 -6.758 -5.314 8.587 1.00 0.00 H new ATOM 0 HB3 SER A 93 -6.546 -3.735 9.318 1.00 0.00 H new ATOM 0 HG SER A 93 -7.196 -4.689 11.109 1.00 0.00 H new ATOM 1455 N TYR A 94 -6.993 -3.975 6.328 1.00 0.00 N ATOM 1456 CA TYR A 94 -6.346 -3.529 5.095 1.00 0.00 C ATOM 1457 C TYR A 94 -5.656 -4.737 4.446 1.00 0.00 C ATOM 1458 O TYR A 94 -5.762 -5.875 4.943 1.00 0.00 O ATOM 1459 CB TYR A 94 -5.187 -2.491 5.343 1.00 0.00 C ATOM 1460 CG TYR A 94 -4.187 -2.627 6.444 1.00 0.00 C ATOM 1461 CD1 TYR A 94 -4.590 -2.697 7.739 1.00 0.00 C ATOM 1462 CD2 TYR A 94 -2.827 -2.566 6.178 1.00 0.00 C ATOM 1463 CE1 TYR A 94 -3.690 -2.721 8.772 1.00 0.00 C ATOM 1464 CE2 TYR A 94 -1.913 -2.603 7.190 1.00 0.00 C ATOM 1465 CZ TYR A 94 -2.344 -2.679 8.493 1.00 0.00 C ATOM 1466 OH TYR A 94 -1.426 -2.717 9.527 1.00 0.00 O ATOM 0 H TYR A 94 -6.649 -4.883 6.641 1.00 0.00 H new ATOM 0 HA TYR A 94 -7.127 -3.073 4.487 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -4.618 -2.437 4.415 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -5.666 -1.521 5.480 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -5.646 -2.735 7.960 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -2.487 -2.488 5.156 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -4.034 -2.772 9.794 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -0.856 -2.573 6.969 1.00 0.00 H new ATOM 0 HH TYR A 94 -0.518 -2.680 9.160 1.00 0.00 H new ATOM 1476 N PHE A 95 -4.948 -4.470 3.367 1.00 0.00 N ATOM 1477 CA PHE A 95 -4.030 -5.403 2.717 1.00 0.00 C ATOM 1478 C PHE A 95 -2.682 -4.742 2.729 1.00 0.00 C ATOM 1479 O PHE A 95 -2.615 -3.527 2.697 1.00 0.00 O ATOM 1480 CB PHE A 95 -4.372 -5.660 1.238 1.00 0.00 C ATOM 1481 CG PHE A 95 -5.243 -6.845 0.922 1.00 0.00 C ATOM 1482 CD1 PHE A 95 -4.896 -8.113 1.369 1.00 0.00 C ATOM 1483 CD2 PHE A 95 -6.370 -6.703 0.130 1.00 0.00 C ATOM 1484 CE1 PHE A 95 -5.666 -9.217 1.035 1.00 0.00 C ATOM 1485 CE2 PHE A 95 -7.139 -7.802 -0.217 1.00 0.00 C ATOM 1486 CZ PHE A 95 -6.788 -9.062 0.238 1.00 0.00 C ATOM 0 H PHE A 95 -4.993 -3.566 2.896 1.00 0.00 H new ATOM 0 HA PHE A 95 -4.080 -6.354 3.247 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -4.862 -4.769 0.846 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -3.436 -5.775 0.692 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -4.017 -8.241 1.983 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -6.653 -5.722 -0.222 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -5.391 -10.197 1.396 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -8.011 -7.676 -0.842 1.00 0.00 H new ATOM 0 HZ PHE A 95 -7.387 -9.921 -0.028 1.00 0.00 H new ATOM 1496 N ILE A 96 -1.625 -5.493 2.807 1.00 0.00 N ATOM 1497 CA ILE A 96 -0.312 -4.895 2.734 1.00 0.00 C ATOM 1498 C ILE A 96 0.416 -5.408 1.491 1.00 0.00 C ATOM 1499 O ILE A 96 0.883 -6.528 1.460 1.00 0.00 O ATOM 1500 CB ILE A 96 0.540 -5.162 3.972 1.00 0.00 C ATOM 1501 CG1 ILE A 96 -0.254 -4.864 5.231 1.00 0.00 C ATOM 1502 CG2 ILE A 96 1.775 -4.276 3.925 1.00 0.00 C ATOM 1503 CD1 ILE A 96 0.537 -5.032 6.494 1.00 0.00 C ATOM 0 H ILE A 96 -1.636 -6.507 2.920 1.00 0.00 H new ATOM 0 HA ILE A 96 -0.458 -3.816 2.677 1.00 0.00 H new ATOM 0 HB ILE A 96 0.836 -6.211 3.986 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -0.629 -3.842 5.180 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -1.123 -5.521 5.266 1.00 0.00 H new ATOM 0 HG21 ILE A 96 2.389 -4.461 4.806 1.00 0.00 H new ATOM 0 HG22 ILE A 96 2.351 -4.502 3.028 1.00 0.00 H new ATOM 0 HG23 ILE A 96 1.471 -3.229 3.907 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -0.095 -4.802 7.352 1.00 0.00 H new ATOM 0 HD12 ILE A 96 0.890 -6.061 6.568 1.00 0.00 H new ATOM 0 HD13 ILE A 96 1.391 -4.355 6.481 1.00 0.00 H new ATOM 1515 N LEU A 97 0.434 -4.603 0.474 1.00 0.00 N ATOM 1516 CA LEU A 97 1.081 -4.912 -0.780 1.00 0.00 C ATOM 1517 C LEU A 97 2.575 -4.684 -0.612 1.00 0.00 C ATOM 1518 O LEU A 97 3.047 -3.558 -0.486 1.00 0.00 O ATOM 1519 CB LEU A 97 0.465 -3.992 -1.859 1.00 0.00 C ATOM 1520 CG LEU A 97 0.663 -4.315 -3.359 1.00 0.00 C ATOM 1521 CD1 LEU A 97 1.775 -3.530 -3.943 1.00 0.00 C ATOM 1522 CD2 LEU A 97 0.868 -5.799 -3.605 1.00 0.00 C ATOM 0 H LEU A 97 -0.011 -3.685 0.486 1.00 0.00 H new ATOM 0 HA LEU A 97 0.934 -5.949 -1.083 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.609 -3.952 -1.676 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.855 -2.988 -1.690 1.00 0.00 H new ATOM 0 HG LEU A 97 -0.259 -4.024 -3.862 1.00 0.00 H new ATOM 0 HD11 LEU A 97 1.885 -3.783 -4.998 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.560 -2.466 -3.846 1.00 0.00 H new ATOM 0 HD13 LEU A 97 2.700 -3.762 -3.416 1.00 0.00 H new ATOM 0 HD21 LEU A 97 1.002 -5.976 -4.672 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.753 -6.138 -3.067 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -0.004 -6.350 -3.253 1.00 0.00 H new ATOM 1534 N ARG A 98 3.295 -5.765 -0.538 1.00 0.00 N ATOM 1535 CA ARG A 98 4.713 -5.721 -0.272 1.00 0.00 C ATOM 1536 C ARG A 98 5.456 -6.482 -1.300 1.00 0.00 C ATOM 1537 O ARG A 98 4.872 -7.325 -2.011 1.00 0.00 O ATOM 1538 CB ARG A 98 5.027 -6.433 1.029 1.00 0.00 C ATOM 1539 CG ARG A 98 4.276 -5.967 2.225 1.00 0.00 C ATOM 1540 CD ARG A 98 4.670 -6.776 3.433 1.00 0.00 C ATOM 1541 NE ARG A 98 6.115 -6.659 3.724 1.00 0.00 N ATOM 1542 CZ ARG A 98 6.673 -6.758 4.933 1.00 0.00 C ATOM 1543 NH1 ARG A 98 5.915 -6.932 6.010 1.00 0.00 N ATOM 1544 NH2 ARG A 98 7.998 -6.686 5.060 1.00 0.00 N ATOM 0 H ARG A 98 2.920 -6.706 -0.660 1.00 0.00 H new ATOM 0 HA ARG A 98 4.996 -4.669 -0.250 1.00 0.00 H new ATOM 0 HB2 ARG A 98 4.832 -7.497 0.894 1.00 0.00 H new ATOM 0 HB3 ARG A 98 6.093 -6.327 1.230 1.00 0.00 H new ATOM 0 HG2 ARG A 98 4.480 -4.911 2.403 1.00 0.00 H new ATOM 0 HG3 ARG A 98 3.204 -6.060 2.050 1.00 0.00 H new ATOM 0 HD2 ARG A 98 4.097 -6.441 4.298 1.00 0.00 H new ATOM 0 HD3 ARG A 98 4.416 -7.823 3.268 1.00 0.00 H new ATOM 0 HE ARG A 98 6.738 -6.488 2.935 1.00 0.00 H new ATOM 0 HH11 ARG A 98 4.901 -6.991 5.916 1.00 0.00 H new ATOM 0 HH12 ARG A 98 6.347 -7.007 6.931 1.00 0.00 H new ATOM 0 HH21 ARG A 98 8.583 -6.556 4.235 1.00 0.00 H new ATOM 0 HH22 ARG A 98 8.427 -6.761 5.982 1.00 0.00 H new ATOM 1558 N MET A 99 6.743 -6.206 -1.390 1.00 0.00 N ATOM 1559 CA MET A 99 7.595 -7.050 -2.120 1.00 0.00 C ATOM 1560 C MET A 99 7.823 -8.263 -1.261 1.00 0.00 C ATOM 1561 O MET A 99 8.230 -8.139 -0.090 1.00 0.00 O ATOM 1562 CB MET A 99 8.928 -6.421 -2.446 1.00 0.00 C ATOM 1563 CG MET A 99 8.848 -5.207 -3.317 1.00 0.00 C ATOM 1564 SD MET A 99 10.385 -4.860 -4.192 1.00 0.00 S ATOM 1565 CE MET A 99 10.421 -6.259 -5.322 1.00 0.00 C ATOM 0 H MET A 99 7.196 -5.400 -0.959 1.00 0.00 H new ATOM 0 HA MET A 99 7.127 -7.281 -3.077 1.00 0.00 H new ATOM 0 HB2 MET A 99 9.425 -6.151 -1.514 1.00 0.00 H new ATOM 0 HB3 MET A 99 9.555 -7.164 -2.938 1.00 0.00 H new ATOM 0 HG2 MET A 99 8.046 -5.341 -4.043 1.00 0.00 H new ATOM 0 HG3 MET A 99 8.583 -4.345 -2.705 1.00 0.00 H new ATOM 0 HE1 MET A 99 10.997 -5.995 -6.209 1.00 0.00 H new ATOM 0 HE2 MET A 99 10.885 -7.113 -4.829 1.00 0.00 H new ATOM 0 HE3 MET A 99 9.403 -6.518 -5.614 1.00 0.00 H new