USER MOD reduce.3.24.130724 H: found=0, std=0, add=723, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 716 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 10 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -122:sc= 0.0823 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 7:sc= 0.574! USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 HIS : no HD1:sc= -0.0547 X(o=-0.055,f=-0.16) USER MOD Single : A 17 HIS : no HD1:sc= -2.79! C(o=-2.8!,f=-3!) USER MOD Single : A 21 GLN : amide:sc= -0.0196 X(o=-0.02,f=0) USER MOD Single : A 25 CYS SG : rot 180:sc= 0 USER MOD Single : A 32 CYS SG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 49 HIS : no HD1:sc= -0.0442 X(o=-0.044,f=0) USER MOD Single : A 55 ASN : amide:sc= -5.3! C(o=-5.3!,f=-8!) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 58 SER OG : rot 29:sc= 0.56 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 HIS : no HD1:sc= -10.1! C(o=-10!,f=-11!) USER MOD Single : A 72 THR OG1 : rot 83:sc= 0.639 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= -3.92! K(o=-3.9!,f=-1.5) USER MOD Single : A 82 THR OG1 : rot 24:sc= 0.366 USER MOD Single : A 83 MET CE :methyl -169:sc= -1.53! (180deg=-1.58!) USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.0272 USER MOD Single : A 88 TYR OH : rot 174:sc= -0.866 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -2.75! C(o=-2.7!,f=-3!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.664 25.239 -15.468 1.00 0.00 N ATOM 2 CA GLY A 1 -4.505 24.051 -14.649 1.00 0.00 C ATOM 3 C GLY A 1 -5.200 22.841 -15.242 1.00 0.00 C ATOM 4 O GLY A 1 -5.752 22.910 -16.339 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.728 25.602 -15.739 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.204 25.001 -16.324 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.174 25.967 -14.928 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.443 23.835 -14.530 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.904 24.244 -13.653 1.00 0.00 H new ATOM 8 N SER A 2 -5.172 21.729 -14.514 1.00 0.00 N ATOM 9 CA SER A 2 -5.800 20.497 -14.976 1.00 0.00 C ATOM 10 C SER A 2 -6.922 20.072 -14.033 1.00 0.00 C ATOM 11 O SER A 2 -6.679 19.431 -13.011 1.00 0.00 O ATOM 12 CB SER A 2 -4.761 19.380 -15.087 1.00 0.00 C ATOM 13 OG SER A 2 -4.028 19.484 -16.295 1.00 0.00 O ATOM 0 H SER A 2 -4.721 21.656 -13.602 1.00 0.00 H new ATOM 0 HA SER A 2 -6.228 20.684 -15.961 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.079 19.428 -14.238 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.258 18.411 -15.042 1.00 0.00 H new ATOM 0 HG SER A 2 -3.369 18.760 -16.341 1.00 0.00 H new ATOM 19 N SER A 3 -8.152 20.434 -14.385 1.00 0.00 N ATOM 20 CA SER A 3 -9.311 20.094 -13.569 1.00 0.00 C ATOM 21 C SER A 3 -9.668 18.618 -13.720 1.00 0.00 C ATOM 22 O SER A 3 -9.984 18.154 -14.815 1.00 0.00 O ATOM 23 CB SER A 3 -10.509 20.963 -13.960 1.00 0.00 C ATOM 24 OG SER A 3 -10.443 22.233 -13.335 1.00 0.00 O ATOM 0 H SER A 3 -8.371 20.962 -15.230 1.00 0.00 H new ATOM 0 HA SER A 3 -9.058 20.284 -12.526 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.534 21.088 -15.043 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.434 20.462 -13.676 1.00 0.00 H new ATOM 0 HG SER A 3 -11.218 22.770 -13.602 1.00 0.00 H new ATOM 30 N GLY A 4 -9.615 17.886 -12.612 1.00 0.00 N ATOM 31 CA GLY A 4 -9.935 16.471 -12.641 1.00 0.00 C ATOM 32 C GLY A 4 -8.754 15.619 -13.062 1.00 0.00 C ATOM 33 O GLY A 4 -8.376 15.605 -14.233 1.00 0.00 O ATOM 0 H GLY A 4 -9.356 18.248 -11.694 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.272 16.157 -11.653 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.764 16.303 -13.328 1.00 0.00 H new ATOM 37 N SER A 5 -8.169 14.907 -12.104 1.00 0.00 N ATOM 38 CA SER A 5 -7.021 14.052 -12.381 1.00 0.00 C ATOM 39 C SER A 5 -7.335 12.596 -12.049 1.00 0.00 C ATOM 40 O SER A 5 -7.737 12.275 -10.931 1.00 0.00 O ATOM 41 CB SER A 5 -5.805 14.519 -11.578 1.00 0.00 C ATOM 42 OG SER A 5 -5.863 14.045 -10.243 1.00 0.00 O ATOM 0 H SER A 5 -8.471 14.905 -11.130 1.00 0.00 H new ATOM 0 HA SER A 5 -6.794 14.123 -13.445 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.892 14.163 -12.055 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.761 15.608 -11.579 1.00 0.00 H new ATOM 0 HG SER A 5 -6.621 13.431 -10.147 1.00 0.00 H new ATOM 48 N SER A 6 -7.148 11.719 -13.030 1.00 0.00 N ATOM 49 CA SER A 6 -7.414 10.297 -12.845 1.00 0.00 C ATOM 50 C SER A 6 -6.171 9.467 -13.148 1.00 0.00 C ATOM 51 O SER A 6 -5.300 9.887 -13.909 1.00 0.00 O ATOM 52 CB SER A 6 -8.570 9.852 -13.744 1.00 0.00 C ATOM 53 OG SER A 6 -9.761 10.552 -13.428 1.00 0.00 O ATOM 0 H SER A 6 -6.813 11.968 -13.961 1.00 0.00 H new ATOM 0 HA SER A 6 -7.690 10.137 -11.803 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.310 10.024 -14.788 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.733 8.780 -13.629 1.00 0.00 H new ATOM 0 HG SER A 6 -10.484 10.251 -14.017 1.00 0.00 H new ATOM 59 N GLY A 7 -6.094 8.284 -12.545 1.00 0.00 N ATOM 60 CA GLY A 7 -4.954 7.413 -12.762 1.00 0.00 C ATOM 61 C GLY A 7 -4.662 6.531 -11.564 1.00 0.00 C ATOM 62 O GLY A 7 -5.458 5.659 -11.217 1.00 0.00 O ATOM 0 H GLY A 7 -6.801 7.914 -11.910 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -5.140 6.786 -13.634 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.076 8.018 -12.986 1.00 0.00 H new ATOM 66 N VAL A 8 -3.516 6.758 -10.930 1.00 0.00 N ATOM 67 CA VAL A 8 -3.120 5.977 -9.764 1.00 0.00 C ATOM 68 C VAL A 8 -3.834 6.464 -8.508 1.00 0.00 C ATOM 69 O VAL A 8 -3.758 7.640 -8.153 1.00 0.00 O ATOM 70 CB VAL A 8 -1.598 6.043 -9.535 1.00 0.00 C ATOM 71 CG1 VAL A 8 -1.199 5.175 -8.351 1.00 0.00 C ATOM 72 CG2 VAL A 8 -0.852 5.622 -10.791 1.00 0.00 C ATOM 0 H VAL A 8 -2.846 7.476 -11.204 1.00 0.00 H new ATOM 0 HA VAL A 8 -3.405 4.944 -9.963 1.00 0.00 H new ATOM 0 HB VAL A 8 -1.326 7.074 -9.307 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -0.121 5.234 -8.204 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -1.707 5.528 -7.454 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -1.483 4.141 -8.546 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.222 5.675 -10.611 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.127 4.600 -11.052 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.116 6.289 -11.612 1.00 0.00 H new ATOM 82 N THR A 9 -4.529 5.550 -7.837 1.00 0.00 N ATOM 83 CA THR A 9 -5.258 5.886 -6.621 1.00 0.00 C ATOM 84 C THR A 9 -4.321 5.952 -5.419 1.00 0.00 C ATOM 85 O THR A 9 -3.703 4.956 -5.044 1.00 0.00 O ATOM 86 CB THR A 9 -6.372 4.861 -6.332 1.00 0.00 C ATOM 87 OG1 THR A 9 -7.243 4.754 -7.464 1.00 0.00 O ATOM 88 CG2 THR A 9 -7.174 5.266 -5.105 1.00 0.00 C ATOM 0 H THR A 9 -4.602 4.572 -8.116 1.00 0.00 H new ATOM 0 HA THR A 9 -5.708 6.865 -6.783 1.00 0.00 H new ATOM 0 HB THR A 9 -5.906 3.894 -6.139 1.00 0.00 H new ATOM 0 HG1 THR A 9 -7.947 4.100 -7.274 1.00 0.00 H new ATOM 0 HG21 THR A 9 -7.954 4.528 -4.921 1.00 0.00 H new ATOM 0 HG22 THR A 9 -6.513 5.319 -4.240 1.00 0.00 H new ATOM 0 HG23 THR A 9 -7.630 6.241 -5.274 1.00 0.00 H new ATOM 96 N THR A 10 -4.221 7.134 -4.818 1.00 0.00 N ATOM 97 CA THR A 10 -3.359 7.331 -3.659 1.00 0.00 C ATOM 98 C THR A 10 -4.151 7.226 -2.361 1.00 0.00 C ATOM 99 O THR A 10 -5.305 7.647 -2.292 1.00 0.00 O ATOM 100 CB THR A 10 -2.655 8.700 -3.709 1.00 0.00 C ATOM 101 OG1 THR A 10 -1.951 8.845 -4.947 1.00 0.00 O ATOM 102 CG2 THR A 10 -1.685 8.852 -2.547 1.00 0.00 C ATOM 0 H THR A 10 -4.726 7.969 -5.115 1.00 0.00 H new ATOM 0 HA THR A 10 -2.607 6.543 -3.687 1.00 0.00 H new ATOM 0 HB THR A 10 -3.415 9.477 -3.632 1.00 0.00 H new ATOM 0 HG1 THR A 10 -1.508 9.719 -4.971 1.00 0.00 H new ATOM 0 HG21 THR A 10 -1.200 9.826 -2.603 1.00 0.00 H new ATOM 0 HG22 THR A 10 -2.229 8.771 -1.606 1.00 0.00 H new ATOM 0 HG23 THR A 10 -0.930 8.067 -2.598 1.00 0.00 H new ATOM 110 N ALA A 11 -3.523 6.662 -1.334 1.00 0.00 N ATOM 111 CA ALA A 11 -4.169 6.505 -0.037 1.00 0.00 C ATOM 112 C ALA A 11 -3.160 6.637 1.098 1.00 0.00 C ATOM 113 O ALA A 11 -2.119 5.979 1.095 1.00 0.00 O ATOM 114 CB ALA A 11 -4.880 5.162 0.039 1.00 0.00 C ATOM 0 H ALA A 11 -2.568 6.306 -1.375 1.00 0.00 H new ATOM 0 HA ALA A 11 -4.906 7.300 0.073 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -5.358 5.058 1.013 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -5.636 5.106 -0.744 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -4.156 4.359 -0.097 1.00 0.00 H new ATOM 120 N ILE A 12 -3.474 7.491 2.067 1.00 0.00 N ATOM 121 CA ILE A 12 -2.594 7.708 3.208 1.00 0.00 C ATOM 122 C ILE A 12 -3.043 6.887 4.412 1.00 0.00 C ATOM 123 O ILE A 12 -4.239 6.750 4.671 1.00 0.00 O ATOM 124 CB ILE A 12 -2.543 9.195 3.605 1.00 0.00 C ATOM 125 CG1 ILE A 12 -2.042 10.041 2.432 1.00 0.00 C ATOM 126 CG2 ILE A 12 -1.651 9.388 4.823 1.00 0.00 C ATOM 127 CD1 ILE A 12 -2.557 11.463 2.451 1.00 0.00 C ATOM 0 H ILE A 12 -4.331 8.044 2.084 1.00 0.00 H new ATOM 0 HA ILE A 12 -1.598 7.388 2.904 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.551 9.522 3.861 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.952 10.057 2.445 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -2.342 9.567 1.498 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.625 10.444 5.091 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.047 8.811 5.659 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -0.642 9.047 4.592 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -2.162 12.005 1.591 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -3.646 11.456 2.407 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -2.234 11.955 3.369 1.00 0.00 H new ATOM 139 N ILE A 13 -2.077 6.345 5.145 1.00 0.00 N ATOM 140 CA ILE A 13 -2.373 5.540 6.324 1.00 0.00 C ATOM 141 C ILE A 13 -1.822 6.192 7.588 1.00 0.00 C ATOM 142 O ILE A 13 -0.687 6.669 7.608 1.00 0.00 O ATOM 143 CB ILE A 13 -1.791 4.120 6.197 1.00 0.00 C ATOM 144 CG1 ILE A 13 -2.394 3.405 4.986 1.00 0.00 C ATOM 145 CG2 ILE A 13 -2.048 3.327 7.470 1.00 0.00 C ATOM 146 CD1 ILE A 13 -3.889 3.197 5.089 1.00 0.00 C ATOM 0 H ILE A 13 -1.082 6.448 4.944 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.459 5.474 6.396 1.00 0.00 H new ATOM 0 HB ILE A 13 -0.714 4.196 6.051 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -2.177 3.983 4.088 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -1.908 2.437 4.867 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -1.631 2.325 7.365 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -1.576 3.830 8.314 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -3.122 3.256 7.644 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -4.247 2.685 4.196 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -4.113 2.593 5.968 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -4.386 4.163 5.177 1.00 0.00 H new ATOM 158 N HIS A 14 -2.633 6.208 8.641 1.00 0.00 N ATOM 159 CA HIS A 14 -2.225 6.800 9.910 1.00 0.00 C ATOM 160 C HIS A 14 -1.798 5.720 10.900 1.00 0.00 C ATOM 161 O HIS A 14 -2.635 5.021 11.470 1.00 0.00 O ATOM 162 CB HIS A 14 -3.367 7.627 10.502 1.00 0.00 C ATOM 163 CG HIS A 14 -3.604 8.919 9.783 1.00 0.00 C ATOM 164 ND1 HIS A 14 -2.585 9.701 9.283 1.00 0.00 N ATOM 165 CD2 HIS A 14 -4.755 9.565 9.480 1.00 0.00 C ATOM 166 CE1 HIS A 14 -3.097 10.773 8.705 1.00 0.00 C ATOM 167 NE2 HIS A 14 -4.412 10.714 8.810 1.00 0.00 N ATOM 0 H HIS A 14 -3.576 5.818 8.641 1.00 0.00 H new ATOM 0 HA HIS A 14 -1.373 7.453 9.721 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -4.282 7.035 10.481 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -3.148 7.838 11.549 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -5.756 9.238 9.720 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -2.536 11.563 8.228 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -5.067 11.409 8.452 1.00 0.00 H new ATOM 175 N ARG A 15 -0.490 5.591 11.099 1.00 0.00 N ATOM 176 CA ARG A 15 0.048 4.595 12.018 1.00 0.00 C ATOM 177 C ARG A 15 0.586 5.258 13.283 1.00 0.00 C ATOM 178 O ARG A 15 1.789 5.468 13.439 1.00 0.00 O ATOM 179 CB ARG A 15 1.158 3.790 11.340 1.00 0.00 C ATOM 180 CG ARG A 15 0.643 2.661 10.463 1.00 0.00 C ATOM 181 CD ARG A 15 1.781 1.936 9.762 1.00 0.00 C ATOM 182 NE ARG A 15 2.305 0.834 10.564 1.00 0.00 N ATOM 183 CZ ARG A 15 3.142 -0.084 10.093 1.00 0.00 C ATOM 184 NH1 ARG A 15 3.548 -0.032 8.832 1.00 0.00 N ATOM 185 NH2 ARG A 15 3.575 -1.057 10.885 1.00 0.00 N ATOM 0 H ARG A 15 0.216 6.163 10.636 1.00 0.00 H new ATOM 0 HA ARG A 15 -0.761 3.920 12.297 1.00 0.00 H new ATOM 0 HB2 ARG A 15 1.764 4.463 10.733 1.00 0.00 H new ATOM 0 HB3 ARG A 15 1.813 3.374 12.106 1.00 0.00 H new ATOM 0 HG2 ARG A 15 0.080 1.954 11.072 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -0.047 3.062 9.720 1.00 0.00 H new ATOM 0 HD2 ARG A 15 1.430 1.552 8.804 1.00 0.00 H new ATOM 0 HD3 ARG A 15 2.583 2.642 9.548 1.00 0.00 H new ATOM 0 HE ARG A 15 2.013 0.765 11.539 1.00 0.00 H new ATOM 0 HH11 ARG A 15 3.218 0.714 8.220 1.00 0.00 H new ATOM 0 HH12 ARG A 15 4.191 -0.738 8.474 1.00 0.00 H new ATOM 0 HH21 ARG A 15 3.265 -1.100 11.856 1.00 0.00 H new ATOM 0 HH22 ARG A 15 4.218 -1.762 10.523 1.00 0.00 H new ATOM 199 N PRO A 16 -0.324 5.596 14.208 1.00 0.00 N ATOM 200 CA PRO A 16 0.035 6.239 15.475 1.00 0.00 C ATOM 201 C PRO A 16 0.781 5.297 16.413 1.00 0.00 C ATOM 202 O PRO A 16 1.194 5.689 17.504 1.00 0.00 O ATOM 203 CB PRO A 16 -1.320 6.626 16.073 1.00 0.00 C ATOM 204 CG PRO A 16 -2.288 5.667 15.471 1.00 0.00 C ATOM 205 CD PRO A 16 -1.775 5.375 14.088 1.00 0.00 C ATOM 0 HA PRO A 16 0.708 7.083 15.326 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.310 6.548 17.160 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.580 7.656 15.830 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -2.353 4.755 16.064 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -3.290 6.095 15.433 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -2.002 4.354 13.783 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -2.222 6.036 13.346 1.00 0.00 H new ATOM 213 N HIS A 17 0.952 4.051 15.980 1.00 0.00 N ATOM 214 CA HIS A 17 1.650 3.052 16.781 1.00 0.00 C ATOM 215 C HIS A 17 2.108 1.883 15.914 1.00 0.00 C ATOM 216 O HIS A 17 1.406 1.471 14.991 1.00 0.00 O ATOM 217 CB HIS A 17 0.746 2.546 17.905 1.00 0.00 C ATOM 218 CG HIS A 17 1.487 2.195 19.158 1.00 0.00 C ATOM 219 ND1 HIS A 17 2.330 1.108 19.255 1.00 0.00 N ATOM 220 CD2 HIS A 17 1.510 2.795 20.371 1.00 0.00 C ATOM 221 CE1 HIS A 17 2.837 1.054 20.473 1.00 0.00 C ATOM 222 NE2 HIS A 17 2.356 2.067 21.171 1.00 0.00 N ATOM 0 H HIS A 17 0.617 3.710 15.079 1.00 0.00 H new ATOM 0 HA HIS A 17 2.530 3.523 17.218 1.00 0.00 H new ATOM 0 HB2 HIS A 17 0.003 3.310 18.134 1.00 0.00 H new ATOM 0 HB3 HIS A 17 0.203 1.668 17.556 1.00 0.00 H new ATOM 0 HD2 HIS A 17 0.964 3.682 20.657 1.00 0.00 H new ATOM 0 HE1 HIS A 17 3.528 0.308 20.837 1.00 0.00 H new ATOM 0 HE2 HIS A 17 2.577 2.275 22.145 1.00 0.00 H new ATOM 230 N ALA A 18 3.288 1.354 16.218 1.00 0.00 N ATOM 231 CA ALA A 18 3.838 0.232 15.468 1.00 0.00 C ATOM 232 C ALA A 18 3.476 -1.097 16.122 1.00 0.00 C ATOM 233 O ALA A 18 2.946 -1.997 15.471 1.00 0.00 O ATOM 234 CB ALA A 18 5.349 0.368 15.346 1.00 0.00 C ATOM 0 H ALA A 18 3.882 1.684 16.979 1.00 0.00 H new ATOM 0 HA ALA A 18 3.401 0.246 14.470 1.00 0.00 H new ATOM 0 HB1 ALA A 18 5.746 -0.477 14.784 1.00 0.00 H new ATOM 0 HB2 ALA A 18 5.590 1.295 14.826 1.00 0.00 H new ATOM 0 HB3 ALA A 18 5.794 0.383 16.341 1.00 0.00 H new ATOM 240 N ARG A 19 3.766 -1.213 17.414 1.00 0.00 N ATOM 241 CA ARG A 19 3.472 -2.433 18.156 1.00 0.00 C ATOM 242 C ARG A 19 2.189 -3.083 17.647 1.00 0.00 C ATOM 243 O ARG A 19 2.094 -4.307 17.562 1.00 0.00 O ATOM 244 CB ARG A 19 3.345 -2.129 19.650 1.00 0.00 C ATOM 245 CG ARG A 19 4.682 -1.972 20.356 1.00 0.00 C ATOM 246 CD ARG A 19 5.264 -3.319 20.752 1.00 0.00 C ATOM 247 NE ARG A 19 4.618 -3.866 21.942 1.00 0.00 N ATOM 248 CZ ARG A 19 4.797 -3.379 23.165 1.00 0.00 C ATOM 249 NH1 ARG A 19 5.598 -2.341 23.358 1.00 0.00 N ATOM 250 NH2 ARG A 19 4.174 -3.932 24.198 1.00 0.00 N ATOM 0 H ARG A 19 4.204 -0.477 17.968 1.00 0.00 H new ATOM 0 HA ARG A 19 4.297 -3.129 18.003 1.00 0.00 H new ATOM 0 HB2 ARG A 19 2.767 -1.214 19.778 1.00 0.00 H new ATOM 0 HB3 ARG A 19 2.783 -2.931 20.129 1.00 0.00 H new ATOM 0 HG2 ARG A 19 5.381 -1.450 19.702 1.00 0.00 H new ATOM 0 HG3 ARG A 19 4.555 -1.354 21.245 1.00 0.00 H new ATOM 0 HD2 ARG A 19 5.152 -4.020 19.924 1.00 0.00 H new ATOM 0 HD3 ARG A 19 6.333 -3.212 20.937 1.00 0.00 H new ATOM 0 HE ARG A 19 3.995 -4.666 21.828 1.00 0.00 H new ATOM 0 HH11 ARG A 19 6.079 -1.914 22.566 1.00 0.00 H new ATOM 0 HH12 ARG A 19 5.733 -1.969 24.298 1.00 0.00 H new ATOM 0 HH21 ARG A 19 3.557 -4.731 24.053 1.00 0.00 H new ATOM 0 HH22 ARG A 19 4.312 -3.558 25.137 1.00 0.00 H new ATOM 264 N GLU A 20 1.205 -2.255 17.312 1.00 0.00 N ATOM 265 CA GLU A 20 -0.073 -2.750 16.813 1.00 0.00 C ATOM 266 C GLU A 20 -0.060 -2.854 15.291 1.00 0.00 C ATOM 267 O GLU A 20 0.477 -1.984 14.604 1.00 0.00 O ATOM 268 CB GLU A 20 -1.212 -1.832 17.263 1.00 0.00 C ATOM 269 CG GLU A 20 -1.070 -0.401 16.772 1.00 0.00 C ATOM 270 CD GLU A 20 -1.616 -0.208 15.371 1.00 0.00 C ATOM 271 OE1 GLU A 20 -2.722 -0.716 15.091 1.00 0.00 O ATOM 272 OE2 GLU A 20 -0.938 0.449 14.554 1.00 0.00 O ATOM 0 H GLU A 20 1.268 -1.239 17.377 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.234 -3.746 17.226 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -2.158 -2.238 16.905 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.258 -1.831 18.352 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -1.592 0.267 17.457 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -0.018 -0.117 16.790 1.00 0.00 H new ATOM 279 N GLN A 21 -0.653 -3.924 14.771 1.00 0.00 N ATOM 280 CA GLN A 21 -0.708 -4.142 13.330 1.00 0.00 C ATOM 281 C GLN A 21 -1.488 -3.028 12.640 1.00 0.00 C ATOM 282 O GLN A 21 -1.895 -2.055 13.277 1.00 0.00 O ATOM 283 CB GLN A 21 -1.349 -5.496 13.022 1.00 0.00 C ATOM 284 CG GLN A 21 -2.754 -5.645 13.584 1.00 0.00 C ATOM 285 CD GLN A 21 -3.259 -7.074 13.522 1.00 0.00 C ATOM 286 OE1 GLN A 21 -4.226 -7.373 12.821 1.00 0.00 O ATOM 287 NE2 GLN A 21 -2.604 -7.965 14.257 1.00 0.00 N ATOM 0 H GLN A 21 -1.102 -4.653 15.326 1.00 0.00 H new ATOM 0 HA GLN A 21 0.313 -4.136 12.948 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -1.382 -5.636 11.942 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -0.719 -6.288 13.427 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -2.765 -5.304 14.619 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -3.434 -4.999 13.029 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -1.808 -7.672 14.823 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -2.897 -8.942 14.255 1.00 0.00 H new ATOM 296 N LEU A 22 -1.693 -3.175 11.336 1.00 0.00 N ATOM 297 CA LEU A 22 -2.424 -2.181 10.559 1.00 0.00 C ATOM 298 C LEU A 22 -3.842 -2.658 10.261 1.00 0.00 C ATOM 299 O LEU A 22 -4.801 -1.896 10.376 1.00 0.00 O ATOM 300 CB LEU A 22 -1.688 -1.885 9.251 1.00 0.00 C ATOM 301 CG LEU A 22 -0.653 -0.761 9.303 1.00 0.00 C ATOM 302 CD1 LEU A 22 0.419 -0.973 8.246 1.00 0.00 C ATOM 303 CD2 LEU A 22 -1.324 0.592 9.120 1.00 0.00 C ATOM 0 H LEU A 22 -1.363 -3.974 10.794 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.484 -1.267 11.150 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.188 -2.797 8.924 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.427 -1.636 8.490 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.177 -0.778 10.283 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.147 -0.163 8.298 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.921 -1.924 8.423 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.041 -0.984 7.258 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.572 1.380 9.160 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.828 0.620 8.154 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.054 0.747 9.915 1.00 0.00 H new ATOM 315 N GLY A 23 -3.967 -3.925 9.879 1.00 0.00 N ATOM 316 CA GLY A 23 -5.271 -4.483 9.572 1.00 0.00 C ATOM 317 C GLY A 23 -5.352 -5.025 8.159 1.00 0.00 C ATOM 318 O GLY A 23 -6.102 -5.963 7.889 1.00 0.00 O ATOM 0 H GLY A 23 -3.188 -4.575 9.777 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.496 -5.283 10.278 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -6.032 -3.715 9.707 1.00 0.00 H new ATOM 322 N PHE A 24 -4.579 -4.434 7.255 1.00 0.00 N ATOM 323 CA PHE A 24 -4.569 -4.862 5.861 1.00 0.00 C ATOM 324 C PHE A 24 -3.473 -5.895 5.617 1.00 0.00 C ATOM 325 O PHE A 24 -2.298 -5.645 5.888 1.00 0.00 O ATOM 326 CB PHE A 24 -4.365 -3.659 4.937 1.00 0.00 C ATOM 327 CG PHE A 24 -3.053 -2.959 5.145 1.00 0.00 C ATOM 328 CD1 PHE A 24 -1.921 -3.361 4.455 1.00 0.00 C ATOM 329 CD2 PHE A 24 -2.951 -1.898 6.031 1.00 0.00 C ATOM 330 CE1 PHE A 24 -0.712 -2.719 4.644 1.00 0.00 C ATOM 331 CE2 PHE A 24 -1.745 -1.252 6.224 1.00 0.00 C ATOM 332 CZ PHE A 24 -0.624 -1.663 5.530 1.00 0.00 C ATOM 0 H PHE A 24 -3.951 -3.657 7.462 1.00 0.00 H new ATOM 0 HA PHE A 24 -5.533 -5.321 5.642 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -4.430 -3.992 3.901 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -5.176 -2.948 5.095 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -1.984 -4.186 3.761 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -3.824 -1.572 6.577 1.00 0.00 H new ATOM 0 HE1 PHE A 24 0.163 -3.042 4.100 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -1.679 -0.426 6.917 1.00 0.00 H new ATOM 0 HZ PHE A 24 0.320 -1.160 5.680 1.00 0.00 H new ATOM 342 N CYS A 25 -3.866 -7.056 5.105 1.00 0.00 N ATOM 343 CA CYS A 25 -2.918 -8.129 4.826 1.00 0.00 C ATOM 344 C CYS A 25 -2.373 -8.017 3.406 1.00 0.00 C ATOM 345 O CYS A 25 -3.133 -7.993 2.438 1.00 0.00 O ATOM 346 CB CYS A 25 -3.585 -9.491 5.024 1.00 0.00 C ATOM 347 SG CYS A 25 -2.458 -10.895 4.862 1.00 0.00 S ATOM 0 H CYS A 25 -4.834 -7.278 4.875 1.00 0.00 H new ATOM 0 HA CYS A 25 -2.085 -8.036 5.523 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -4.043 -9.519 6.013 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -4.390 -9.599 4.297 1.00 0.00 H new ATOM 0 HG CYS A 25 -3.114 -12.002 5.048 1.00 0.00 H new ATOM 353 N VAL A 26 -1.051 -7.947 3.289 1.00 0.00 N ATOM 354 CA VAL A 26 -0.403 -7.837 1.987 1.00 0.00 C ATOM 355 C VAL A 26 0.343 -9.119 1.635 1.00 0.00 C ATOM 356 O VAL A 26 0.996 -9.722 2.486 1.00 0.00 O ATOM 357 CB VAL A 26 0.583 -6.654 1.949 1.00 0.00 C ATOM 358 CG1 VAL A 26 1.319 -6.616 0.619 1.00 0.00 C ATOM 359 CG2 VAL A 26 -0.148 -5.344 2.202 1.00 0.00 C ATOM 0 H VAL A 26 -0.407 -7.964 4.080 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.191 -7.666 1.254 1.00 0.00 H new ATOM 0 HB VAL A 26 1.320 -6.791 2.740 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.011 -5.774 0.610 1.00 0.00 H new ATOM 0 HG12 VAL A 26 1.875 -7.544 0.484 1.00 0.00 H new ATOM 0 HG13 VAL A 26 0.599 -6.503 -0.192 1.00 0.00 H new ATOM 0 HG21 VAL A 26 0.563 -4.519 2.172 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.907 -5.197 1.434 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -0.624 -5.377 3.182 1.00 0.00 H new ATOM 369 N GLU A 27 0.243 -9.528 0.374 1.00 0.00 N ATOM 370 CA GLU A 27 0.909 -10.739 -0.091 1.00 0.00 C ATOM 371 C GLU A 27 1.680 -10.475 -1.380 1.00 0.00 C ATOM 372 O GLU A 27 1.100 -10.089 -2.395 1.00 0.00 O ATOM 373 CB GLU A 27 -0.112 -11.856 -0.314 1.00 0.00 C ATOM 374 CG GLU A 27 -0.657 -12.450 0.975 1.00 0.00 C ATOM 375 CD GLU A 27 -1.447 -13.723 0.742 1.00 0.00 C ATOM 376 OE1 GLU A 27 -2.635 -13.624 0.370 1.00 0.00 O ATOM 377 OE2 GLU A 27 -0.877 -14.818 0.932 1.00 0.00 O ATOM 0 H GLU A 27 -0.292 -9.039 -0.343 1.00 0.00 H new ATOM 0 HA GLU A 27 1.616 -11.051 0.677 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.942 -11.466 -0.903 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.352 -12.648 -0.902 1.00 0.00 H new ATOM 0 HG2 GLU A 27 0.171 -12.659 1.653 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.295 -11.716 1.468 1.00 0.00 H new ATOM 384 N ASP A 28 2.991 -10.684 -1.332 1.00 0.00 N ATOM 385 CA ASP A 28 3.843 -10.469 -2.496 1.00 0.00 C ATOM 386 C ASP A 28 3.629 -9.075 -3.076 1.00 0.00 C ATOM 387 O ASP A 28 3.838 -8.848 -4.267 1.00 0.00 O ATOM 388 CB ASP A 28 3.561 -11.528 -3.564 1.00 0.00 C ATOM 389 CG ASP A 28 4.319 -12.817 -3.315 1.00 0.00 C ATOM 390 OD1 ASP A 28 3.830 -13.650 -2.523 1.00 0.00 O ATOM 391 OD2 ASP A 28 5.401 -12.994 -3.913 1.00 0.00 O ATOM 0 H ASP A 28 3.487 -11.002 -0.499 1.00 0.00 H new ATOM 0 HA ASP A 28 4.881 -10.554 -2.176 1.00 0.00 H new ATOM 0 HB2 ASP A 28 2.492 -11.738 -3.590 1.00 0.00 H new ATOM 0 HB3 ASP A 28 3.832 -11.134 -4.543 1.00 0.00 H new ATOM 396 N GLY A 29 3.211 -8.143 -2.225 1.00 0.00 N ATOM 397 CA GLY A 29 2.975 -6.783 -2.672 1.00 0.00 C ATOM 398 C GLY A 29 1.560 -6.575 -3.174 1.00 0.00 C ATOM 399 O GLY A 29 1.284 -5.612 -3.891 1.00 0.00 O ATOM 0 H GLY A 29 3.032 -8.306 -1.234 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.170 -6.095 -1.850 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.679 -6.538 -3.467 1.00 0.00 H new ATOM 403 N ILE A 30 0.662 -7.480 -2.800 1.00 0.00 N ATOM 404 CA ILE A 30 -0.731 -7.391 -3.218 1.00 0.00 C ATOM 405 C ILE A 30 -1.674 -7.677 -2.054 1.00 0.00 C ATOM 406 O ILE A 30 -1.690 -8.783 -1.513 1.00 0.00 O ATOM 407 CB ILE A 30 -1.038 -8.372 -4.365 1.00 0.00 C ATOM 408 CG1 ILE A 30 -0.091 -8.128 -5.541 1.00 0.00 C ATOM 409 CG2 ILE A 30 -2.487 -8.233 -4.808 1.00 0.00 C ATOM 410 CD1 ILE A 30 -0.307 -9.077 -6.699 1.00 0.00 C ATOM 0 H ILE A 30 0.874 -8.283 -2.208 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.890 -6.372 -3.570 1.00 0.00 H new ATOM 0 HB ILE A 30 -0.885 -9.389 -4.004 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -0.218 -7.104 -5.893 1.00 0.00 H new ATOM 0 HG13 ILE A 30 0.938 -8.220 -5.193 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -2.688 -8.933 -5.619 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -3.147 -8.451 -3.968 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.665 -7.215 -5.154 1.00 0.00 H new ATOM 0 HD11 ILE A 30 0.399 -8.845 -7.496 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -0.151 -10.102 -6.363 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.325 -8.969 -7.073 1.00 0.00 H new ATOM 422 N ILE A 31 -2.459 -6.674 -1.675 1.00 0.00 N ATOM 423 CA ILE A 31 -3.406 -6.819 -0.577 1.00 0.00 C ATOM 424 C ILE A 31 -4.461 -7.874 -0.897 1.00 0.00 C ATOM 425 O ILE A 31 -4.974 -7.934 -2.014 1.00 0.00 O ATOM 426 CB ILE A 31 -4.110 -5.486 -0.261 1.00 0.00 C ATOM 427 CG1 ILE A 31 -3.076 -4.392 0.018 1.00 0.00 C ATOM 428 CG2 ILE A 31 -5.048 -5.650 0.925 1.00 0.00 C ATOM 429 CD1 ILE A 31 -3.603 -2.992 -0.206 1.00 0.00 C ATOM 0 H ILE A 31 -2.458 -5.752 -2.112 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.833 -7.134 0.295 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.701 -5.190 -1.128 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -2.733 -4.482 1.049 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.208 -4.552 -0.622 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -5.538 -4.699 1.136 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -5.801 -6.402 0.692 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -4.478 -5.966 1.799 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.817 -2.268 0.011 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.920 -2.884 -1.243 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -4.452 -2.813 0.453 1.00 0.00 H new ATOM 441 N CYS A 32 -4.779 -8.702 0.092 1.00 0.00 N ATOM 442 CA CYS A 32 -5.774 -9.754 -0.083 1.00 0.00 C ATOM 443 C CYS A 32 -6.987 -9.509 0.807 1.00 0.00 C ATOM 444 O CYS A 32 -8.122 -9.471 0.331 1.00 0.00 O ATOM 445 CB CYS A 32 -5.162 -11.120 0.233 1.00 0.00 C ATOM 446 SG CYS A 32 -5.919 -12.493 -0.667 1.00 0.00 S ATOM 0 H CYS A 32 -4.363 -8.665 1.022 1.00 0.00 H new ATOM 0 HA CYS A 32 -6.101 -9.742 -1.123 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -4.097 -11.091 0.002 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -5.251 -11.308 1.303 1.00 0.00 H new ATOM 0 HG CYS A 32 -5.333 -13.605 -0.335 1.00 0.00 H new ATOM 452 N SER A 33 -6.741 -9.344 2.103 1.00 0.00 N ATOM 453 CA SER A 33 -7.814 -9.107 3.062 1.00 0.00 C ATOM 454 C SER A 33 -7.590 -7.801 3.817 1.00 0.00 C ATOM 455 O SER A 33 -6.466 -7.305 3.903 1.00 0.00 O ATOM 456 CB SER A 33 -7.909 -10.271 4.050 1.00 0.00 C ATOM 457 OG SER A 33 -9.232 -10.422 4.534 1.00 0.00 O ATOM 0 H SER A 33 -5.807 -9.370 2.513 1.00 0.00 H new ATOM 0 HA SER A 33 -8.751 -9.030 2.510 1.00 0.00 H new ATOM 0 HB2 SER A 33 -7.589 -11.192 3.563 1.00 0.00 H new ATOM 0 HB3 SER A 33 -7.230 -10.099 4.885 1.00 0.00 H new ATOM 0 HG SER A 33 -9.267 -11.173 5.162 1.00 0.00 H new ATOM 463 N LEU A 34 -8.668 -7.249 4.363 1.00 0.00 N ATOM 464 CA LEU A 34 -8.591 -5.999 5.112 1.00 0.00 C ATOM 465 C LEU A 34 -9.349 -6.107 6.431 1.00 0.00 C ATOM 466 O LEU A 34 -10.455 -6.647 6.481 1.00 0.00 O ATOM 467 CB LEU A 34 -9.155 -4.847 4.279 1.00 0.00 C ATOM 468 CG LEU A 34 -8.564 -3.464 4.558 1.00 0.00 C ATOM 469 CD1 LEU A 34 -8.938 -2.491 3.451 1.00 0.00 C ATOM 470 CD2 LEU A 34 -9.036 -2.945 5.909 1.00 0.00 C ATOM 0 H LEU A 34 -9.605 -7.647 4.301 1.00 0.00 H new ATOM 0 HA LEU A 34 -7.542 -5.800 5.332 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -9.003 -5.079 3.225 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -10.232 -4.800 4.443 1.00 0.00 H new ATOM 0 HG LEU A 34 -7.478 -3.552 4.584 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.509 -1.512 3.666 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -8.550 -2.856 2.500 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -10.023 -2.406 3.392 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -8.606 -1.960 6.091 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -10.124 -2.872 5.911 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -8.717 -3.631 6.694 1.00 0.00 H new ATOM 482 N LEU A 35 -8.748 -5.589 7.497 1.00 0.00 N ATOM 483 CA LEU A 35 -9.367 -5.625 8.817 1.00 0.00 C ATOM 484 C LEU A 35 -10.621 -4.757 8.854 1.00 0.00 C ATOM 485 O LEU A 35 -10.666 -3.688 8.245 1.00 0.00 O ATOM 486 CB LEU A 35 -8.374 -5.153 9.881 1.00 0.00 C ATOM 487 CG LEU A 35 -8.889 -5.140 11.321 1.00 0.00 C ATOM 488 CD1 LEU A 35 -8.905 -6.548 11.895 1.00 0.00 C ATOM 489 CD2 LEU A 35 -8.038 -4.219 12.183 1.00 0.00 C ATOM 0 H LEU A 35 -7.833 -5.139 7.473 1.00 0.00 H new ATOM 0 HA LEU A 35 -9.654 -6.655 9.029 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -7.493 -5.794 9.837 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -8.048 -4.145 9.624 1.00 0.00 H new ATOM 0 HG LEU A 35 -9.911 -4.760 11.318 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -9.274 -6.519 12.920 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -9.558 -7.179 11.292 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -7.895 -6.957 11.885 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -8.419 -4.222 13.204 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -7.006 -4.569 12.180 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -8.079 -3.206 11.783 1.00 0.00 H new ATOM 501 N ARG A 36 -11.636 -5.224 9.575 1.00 0.00 N ATOM 502 CA ARG A 36 -12.890 -4.489 9.693 1.00 0.00 C ATOM 503 C ARG A 36 -12.793 -3.418 10.775 1.00 0.00 C ATOM 504 O ARG A 36 -12.416 -3.702 11.911 1.00 0.00 O ATOM 505 CB ARG A 36 -14.039 -5.448 10.010 1.00 0.00 C ATOM 506 CG ARG A 36 -14.506 -6.257 8.811 1.00 0.00 C ATOM 507 CD ARG A 36 -15.175 -7.553 9.240 1.00 0.00 C ATOM 508 NE ARG A 36 -15.644 -8.332 8.097 1.00 0.00 N ATOM 509 CZ ARG A 36 -16.740 -8.037 7.407 1.00 0.00 C ATOM 510 NH1 ARG A 36 -17.477 -6.987 7.743 1.00 0.00 N ATOM 511 NH2 ARG A 36 -17.102 -8.794 6.379 1.00 0.00 N ATOM 0 H ARG A 36 -11.614 -6.107 10.085 1.00 0.00 H new ATOM 0 HA ARG A 36 -13.087 -4.000 8.739 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -13.723 -6.132 10.798 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -14.880 -4.876 10.402 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -15.204 -5.664 8.220 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -13.655 -6.481 8.168 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -14.471 -8.149 9.821 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -16.017 -7.327 9.894 1.00 0.00 H new ATOM 0 HE ARG A 36 -15.100 -9.147 7.813 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -17.203 -6.403 8.533 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -18.318 -6.763 7.211 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -16.538 -9.603 6.118 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -17.944 -8.567 5.850 1.00 0.00 H new ATOM 525 N GLY A 37 -13.136 -2.186 10.413 1.00 0.00 N ATOM 526 CA GLY A 37 -13.081 -1.091 11.364 1.00 0.00 C ATOM 527 C GLY A 37 -11.665 -0.780 11.808 1.00 0.00 C ATOM 528 O GLY A 37 -11.398 -0.640 13.001 1.00 0.00 O ATOM 0 H GLY A 37 -13.451 -1.926 9.478 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -13.521 -0.201 10.915 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -13.686 -1.340 12.236 1.00 0.00 H new ATOM 532 N GLY A 38 -10.754 -0.673 10.846 1.00 0.00 N ATOM 533 CA GLY A 38 -9.369 -0.380 11.164 1.00 0.00 C ATOM 534 C GLY A 38 -8.888 0.908 10.525 1.00 0.00 C ATOM 535 O GLY A 38 -9.657 1.857 10.371 1.00 0.00 O ATOM 0 H GLY A 38 -10.951 -0.784 9.851 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -9.255 -0.310 12.246 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -8.740 -1.205 10.829 1.00 0.00 H new ATOM 539 N ILE A 39 -7.612 0.942 10.155 1.00 0.00 N ATOM 540 CA ILE A 39 -7.029 2.123 9.531 1.00 0.00 C ATOM 541 C ILE A 39 -7.055 2.010 8.010 1.00 0.00 C ATOM 542 O ILE A 39 -7.577 2.886 7.321 1.00 0.00 O ATOM 543 CB ILE A 39 -5.578 2.347 9.994 1.00 0.00 C ATOM 544 CG1 ILE A 39 -5.444 2.047 11.488 1.00 0.00 C ATOM 545 CG2 ILE A 39 -5.139 3.772 9.692 1.00 0.00 C ATOM 546 CD1 ILE A 39 -4.011 2.001 11.969 1.00 0.00 C ATOM 0 H ILE A 39 -6.962 0.165 10.277 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.635 2.975 9.840 1.00 0.00 H new ATOM 0 HB ILE A 39 -4.928 1.664 9.446 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.984 2.807 12.053 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -5.922 1.091 11.703 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.111 3.914 10.025 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.201 3.952 8.619 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -5.790 4.472 10.215 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.992 1.784 13.037 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.471 1.222 11.431 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -3.535 2.964 11.786 1.00 0.00 H new ATOM 558 N ALA A 40 -6.488 0.925 7.494 1.00 0.00 N ATOM 559 CA ALA A 40 -6.449 0.695 6.055 1.00 0.00 C ATOM 560 C ALA A 40 -7.710 1.224 5.380 1.00 0.00 C ATOM 561 O ALA A 40 -7.638 2.057 4.478 1.00 0.00 O ATOM 562 CB ALA A 40 -6.274 -0.788 5.762 1.00 0.00 C ATOM 0 H ALA A 40 -6.049 0.191 8.051 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.596 1.238 5.648 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.247 -0.945 4.684 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.341 -1.139 6.204 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.109 -1.344 6.189 1.00 0.00 H new ATOM 568 N GLU A 41 -8.863 0.734 5.823 1.00 0.00 N ATOM 569 CA GLU A 41 -10.140 1.157 5.259 1.00 0.00 C ATOM 570 C GLU A 41 -10.299 2.672 5.352 1.00 0.00 C ATOM 571 O GLU A 41 -10.730 3.321 4.398 1.00 0.00 O ATOM 572 CB GLU A 41 -11.297 0.467 5.984 1.00 0.00 C ATOM 573 CG GLU A 41 -12.628 0.589 5.260 1.00 0.00 C ATOM 574 CD GLU A 41 -13.228 1.976 5.374 1.00 0.00 C ATOM 575 OE1 GLU A 41 -12.908 2.682 6.354 1.00 0.00 O ATOM 576 OE2 GLU A 41 -14.018 2.357 4.485 1.00 0.00 O ATOM 0 H GLU A 41 -8.940 0.044 6.570 1.00 0.00 H new ATOM 0 HA GLU A 41 -10.157 0.870 4.208 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -11.057 -0.589 6.111 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -11.395 0.894 6.982 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -12.489 0.343 4.207 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -13.328 -0.140 5.668 1.00 0.00 H new ATOM 583 N ARG A 42 -9.950 3.229 6.507 1.00 0.00 N ATOM 584 CA ARG A 42 -10.055 4.666 6.725 1.00 0.00 C ATOM 585 C ARG A 42 -9.222 5.434 5.704 1.00 0.00 C ATOM 586 O ARG A 42 -9.717 6.346 5.043 1.00 0.00 O ATOM 587 CB ARG A 42 -9.601 5.023 8.142 1.00 0.00 C ATOM 588 CG ARG A 42 -10.684 4.838 9.193 1.00 0.00 C ATOM 589 CD ARG A 42 -10.141 5.062 10.596 1.00 0.00 C ATOM 590 NE ARG A 42 -9.648 6.424 10.781 1.00 0.00 N ATOM 591 CZ ARG A 42 -10.439 7.469 11.001 1.00 0.00 C ATOM 592 NH1 ARG A 42 -11.754 7.308 11.062 1.00 0.00 N ATOM 593 NH2 ARG A 42 -9.915 8.677 11.160 1.00 0.00 N ATOM 0 H ARG A 42 -9.592 2.706 7.306 1.00 0.00 H new ATOM 0 HA ARG A 42 -11.100 4.951 6.603 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -8.742 4.406 8.405 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -9.266 6.060 8.157 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -11.501 5.534 9.002 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -11.098 3.832 9.118 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -10.925 4.858 11.325 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -9.334 4.355 10.790 1.00 0.00 H new ATOM 0 HE ARG A 42 -8.641 6.582 10.739 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -12.160 6.380 10.940 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -12.359 8.112 11.231 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -8.904 8.805 11.113 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -10.523 9.478 11.329 1.00 0.00 H new ATOM 607 N GLY A 43 -7.952 5.058 5.581 1.00 0.00 N ATOM 608 CA GLY A 43 -7.070 5.722 4.639 1.00 0.00 C ATOM 609 C GLY A 43 -7.558 5.608 3.209 1.00 0.00 C ATOM 610 O GLY A 43 -7.542 6.585 2.460 1.00 0.00 O ATOM 0 H GLY A 43 -7.519 4.306 6.117 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -6.983 6.775 4.907 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -6.072 5.291 4.715 1.00 0.00 H new ATOM 614 N GLY A 44 -7.991 4.411 2.826 1.00 0.00 N ATOM 615 CA GLY A 44 -8.478 4.194 1.476 1.00 0.00 C ATOM 616 C GLY A 44 -7.901 2.942 0.846 1.00 0.00 C ATOM 617 O GLY A 44 -7.713 2.882 -0.370 1.00 0.00 O ATOM 0 H GLY A 44 -8.013 3.587 3.427 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -9.565 4.121 1.493 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -8.226 5.057 0.859 1.00 0.00 H new ATOM 621 N ILE A 45 -7.617 1.942 1.673 1.00 0.00 N ATOM 622 CA ILE A 45 -7.057 0.686 1.188 1.00 0.00 C ATOM 623 C ILE A 45 -8.148 -0.225 0.636 1.00 0.00 C ATOM 624 O ILE A 45 -9.228 -0.340 1.216 1.00 0.00 O ATOM 625 CB ILE A 45 -6.298 -0.058 2.302 1.00 0.00 C ATOM 626 CG1 ILE A 45 -5.271 0.869 2.957 1.00 0.00 C ATOM 627 CG2 ILE A 45 -5.618 -1.298 1.742 1.00 0.00 C ATOM 628 CD1 ILE A 45 -4.172 1.313 2.017 1.00 0.00 C ATOM 0 H ILE A 45 -7.765 1.977 2.682 1.00 0.00 H new ATOM 0 HA ILE A 45 -6.359 0.938 0.390 1.00 0.00 H new ATOM 0 HB ILE A 45 -7.014 -0.371 3.062 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -5.784 1.749 3.345 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -4.824 0.358 3.810 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -5.086 -1.813 2.541 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -6.369 -1.964 1.318 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -4.912 -1.006 0.965 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -3.481 1.967 2.548 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -3.634 0.440 1.648 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -4.608 1.852 1.176 1.00 0.00 H new ATOM 640 N ARG A 46 -7.858 -0.872 -0.488 1.00 0.00 N ATOM 641 CA ARG A 46 -8.814 -1.774 -1.119 1.00 0.00 C ATOM 642 C ARG A 46 -8.130 -3.063 -1.568 1.00 0.00 C ATOM 643 O ARG A 46 -7.289 -3.051 -2.466 1.00 0.00 O ATOM 644 CB ARG A 46 -9.477 -1.092 -2.316 1.00 0.00 C ATOM 645 CG ARG A 46 -10.622 -0.168 -1.934 1.00 0.00 C ATOM 646 CD ARG A 46 -11.942 -0.920 -1.855 1.00 0.00 C ATOM 647 NE ARG A 46 -12.340 -1.464 -3.150 1.00 0.00 N ATOM 648 CZ ARG A 46 -13.558 -1.927 -3.409 1.00 0.00 C ATOM 649 NH1 ARG A 46 -14.491 -1.911 -2.468 1.00 0.00 N ATOM 650 NH2 ARG A 46 -13.844 -2.406 -4.613 1.00 0.00 N ATOM 0 H ARG A 46 -6.969 -0.788 -0.980 1.00 0.00 H new ATOM 0 HA ARG A 46 -9.579 -2.026 -0.384 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -8.725 -0.519 -2.859 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -9.850 -1.856 -2.998 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -10.409 0.298 -0.972 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -10.703 0.635 -2.666 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -11.854 -1.731 -1.132 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -12.720 -0.250 -1.489 1.00 0.00 H new ATOM 0 HE ARG A 46 -11.645 -1.490 -3.896 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -14.275 -1.542 -1.542 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -15.425 -2.267 -2.670 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -13.129 -2.419 -5.340 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -14.779 -2.761 -4.812 1.00 0.00 H new ATOM 664 N VAL A 47 -8.498 -4.173 -0.935 1.00 0.00 N ATOM 665 CA VAL A 47 -7.921 -5.470 -1.269 1.00 0.00 C ATOM 666 C VAL A 47 -7.990 -5.731 -2.770 1.00 0.00 C ATOM 667 O VAL A 47 -8.854 -5.199 -3.465 1.00 0.00 O ATOM 668 CB VAL A 47 -8.641 -6.612 -0.527 1.00 0.00 C ATOM 669 CG1 VAL A 47 -8.605 -6.378 0.975 1.00 0.00 C ATOM 670 CG2 VAL A 47 -10.073 -6.748 -1.020 1.00 0.00 C ATOM 0 H VAL A 47 -9.193 -4.200 -0.189 1.00 0.00 H new ATOM 0 HA VAL A 47 -6.878 -5.443 -0.955 1.00 0.00 H new ATOM 0 HB VAL A 47 -8.119 -7.545 -0.738 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -9.118 -7.195 1.483 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -7.569 -6.335 1.312 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -9.102 -5.436 1.209 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -10.566 -7.559 -0.485 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -10.609 -5.816 -0.841 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -10.071 -6.966 -2.088 1.00 0.00 H new ATOM 680 N GLY A 48 -7.071 -6.556 -3.264 1.00 0.00 N ATOM 681 CA GLY A 48 -7.045 -6.875 -4.679 1.00 0.00 C ATOM 682 C GLY A 48 -6.042 -6.034 -5.444 1.00 0.00 C ATOM 683 O GLY A 48 -5.416 -6.510 -6.392 1.00 0.00 O ATOM 0 H GLY A 48 -6.345 -7.009 -2.709 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -6.802 -7.930 -4.806 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -8.039 -6.724 -5.101 1.00 0.00 H new ATOM 687 N HIS A 49 -5.889 -4.779 -5.034 1.00 0.00 N ATOM 688 CA HIS A 49 -4.955 -3.869 -5.688 1.00 0.00 C ATOM 689 C HIS A 49 -3.514 -4.226 -5.338 1.00 0.00 C ATOM 690 O HIS A 49 -3.244 -4.791 -4.278 1.00 0.00 O ATOM 691 CB HIS A 49 -5.248 -2.424 -5.281 1.00 0.00 C ATOM 692 CG HIS A 49 -6.495 -1.870 -5.898 1.00 0.00 C ATOM 693 ND1 HIS A 49 -6.744 -0.518 -6.007 1.00 0.00 N ATOM 694 CD2 HIS A 49 -7.566 -2.493 -6.443 1.00 0.00 C ATOM 695 CE1 HIS A 49 -7.914 -0.333 -6.590 1.00 0.00 C ATOM 696 NE2 HIS A 49 -8.434 -1.516 -6.866 1.00 0.00 N ATOM 0 H HIS A 49 -6.400 -4.369 -4.252 1.00 0.00 H new ATOM 0 HA HIS A 49 -5.084 -3.968 -6.766 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -5.335 -2.371 -4.196 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -4.403 -1.797 -5.564 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -7.711 -3.560 -6.529 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -8.369 0.623 -6.805 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -9.333 -1.677 -7.319 1.00 0.00 H new ATOM 704 N ARG A 50 -2.592 -3.893 -6.236 1.00 0.00 N ATOM 705 CA ARG A 50 -1.179 -4.180 -6.023 1.00 0.00 C ATOM 706 C ARG A 50 -0.406 -2.902 -5.710 1.00 0.00 C ATOM 707 O ARG A 50 -0.610 -1.869 -6.348 1.00 0.00 O ATOM 708 CB ARG A 50 -0.583 -4.859 -7.258 1.00 0.00 C ATOM 709 CG ARG A 50 0.929 -5.007 -7.202 1.00 0.00 C ATOM 710 CD ARG A 50 1.543 -4.974 -8.592 1.00 0.00 C ATOM 711 NE ARG A 50 1.423 -6.260 -9.274 1.00 0.00 N ATOM 712 CZ ARG A 50 1.715 -6.441 -10.557 1.00 0.00 C ATOM 713 NH1 ARG A 50 2.143 -5.425 -11.293 1.00 0.00 N ATOM 714 NH2 ARG A 50 1.580 -7.642 -11.106 1.00 0.00 N ATOM 0 H ARG A 50 -2.799 -3.424 -7.118 1.00 0.00 H new ATOM 0 HA ARG A 50 -1.095 -4.853 -5.170 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -1.032 -5.846 -7.372 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.851 -4.283 -8.144 1.00 0.00 H new ATOM 0 HG2 ARG A 50 1.352 -4.205 -6.597 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.186 -5.946 -6.712 1.00 0.00 H new ATOM 0 HD2 ARG A 50 1.054 -4.202 -9.186 1.00 0.00 H new ATOM 0 HD3 ARG A 50 2.595 -4.700 -8.517 1.00 0.00 H new ATOM 0 HE ARG A 50 1.097 -7.063 -8.736 1.00 0.00 H new ATOM 0 HH11 ARG A 50 2.249 -4.501 -10.874 1.00 0.00 H new ATOM 0 HH12 ARG A 50 2.366 -5.567 -12.278 1.00 0.00 H new ATOM 0 HH21 ARG A 50 1.252 -8.426 -10.543 1.00 0.00 H new ATOM 0 HH22 ARG A 50 1.804 -7.780 -12.091 1.00 0.00 H new ATOM 728 N ILE A 51 0.482 -2.981 -4.724 1.00 0.00 N ATOM 729 CA ILE A 51 1.285 -1.831 -4.327 1.00 0.00 C ATOM 730 C ILE A 51 2.454 -1.621 -5.284 1.00 0.00 C ATOM 731 O ILE A 51 3.118 -2.576 -5.688 1.00 0.00 O ATOM 732 CB ILE A 51 1.831 -1.993 -2.896 1.00 0.00 C ATOM 733 CG1 ILE A 51 0.680 -2.205 -1.910 1.00 0.00 C ATOM 734 CG2 ILE A 51 2.655 -0.776 -2.503 1.00 0.00 C ATOM 735 CD1 ILE A 51 -0.442 -1.203 -2.066 1.00 0.00 C ATOM 0 H ILE A 51 0.663 -3.829 -4.186 1.00 0.00 H new ATOM 0 HA ILE A 51 0.629 -0.961 -4.361 1.00 0.00 H new ATOM 0 HB ILE A 51 2.477 -2.870 -2.866 1.00 0.00 H new ATOM 0 HG12 ILE A 51 0.280 -3.210 -2.042 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.068 -2.148 -0.893 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.034 -0.905 -1.489 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.492 -0.665 -3.192 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.030 0.116 -2.546 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -1.223 -1.414 -1.335 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.056 -0.197 -1.904 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -0.857 -1.275 -3.071 1.00 0.00 H new ATOM 747 N ILE A 52 2.700 -0.365 -5.641 1.00 0.00 N ATOM 748 CA ILE A 52 3.791 -0.029 -6.548 1.00 0.00 C ATOM 749 C ILE A 52 4.744 0.978 -5.912 1.00 0.00 C ATOM 750 O ILE A 52 5.893 1.109 -6.331 1.00 0.00 O ATOM 751 CB ILE A 52 3.263 0.548 -7.875 1.00 0.00 C ATOM 752 CG1 ILE A 52 2.418 1.796 -7.613 1.00 0.00 C ATOM 753 CG2 ILE A 52 2.452 -0.500 -8.622 1.00 0.00 C ATOM 754 CD1 ILE A 52 2.053 2.553 -8.870 1.00 0.00 C ATOM 0 H ILE A 52 2.159 0.436 -5.316 1.00 0.00 H new ATOM 0 HA ILE A 52 4.328 -0.955 -6.752 1.00 0.00 H new ATOM 0 HB ILE A 52 4.113 0.832 -8.495 1.00 0.00 H new ATOM 0 HG12 ILE A 52 1.504 1.504 -7.096 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.964 2.461 -6.944 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.086 -0.078 -9.558 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.082 -1.363 -8.836 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.606 -0.811 -8.009 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.454 3.425 -8.608 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.962 2.876 -9.377 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.479 1.904 -9.532 1.00 0.00 H new ATOM 766 N GLU A 53 4.258 1.685 -4.897 1.00 0.00 N ATOM 767 CA GLU A 53 5.067 2.680 -4.203 1.00 0.00 C ATOM 768 C GLU A 53 4.614 2.835 -2.754 1.00 0.00 C ATOM 769 O GLU A 53 3.453 2.591 -2.427 1.00 0.00 O ATOM 770 CB GLU A 53 4.986 4.028 -4.922 1.00 0.00 C ATOM 771 CG GLU A 53 6.106 4.985 -4.550 1.00 0.00 C ATOM 772 CD GLU A 53 5.886 6.382 -5.098 1.00 0.00 C ATOM 773 OE1 GLU A 53 6.094 6.584 -6.312 1.00 0.00 O ATOM 774 OE2 GLU A 53 5.505 7.274 -4.310 1.00 0.00 O ATOM 0 H GLU A 53 3.309 1.587 -4.537 1.00 0.00 H new ATOM 0 HA GLU A 53 6.101 2.337 -4.207 1.00 0.00 H new ATOM 0 HB2 GLU A 53 5.008 3.858 -5.998 1.00 0.00 H new ATOM 0 HB3 GLU A 53 4.029 4.496 -4.692 1.00 0.00 H new ATOM 0 HG2 GLU A 53 6.191 5.034 -3.464 1.00 0.00 H new ATOM 0 HG3 GLU A 53 7.052 4.596 -4.927 1.00 0.00 H new ATOM 781 N ILE A 54 5.540 3.243 -1.892 1.00 0.00 N ATOM 782 CA ILE A 54 5.236 3.431 -0.479 1.00 0.00 C ATOM 783 C ILE A 54 6.159 4.470 0.148 1.00 0.00 C ATOM 784 O ILE A 54 7.361 4.485 -0.114 1.00 0.00 O ATOM 785 CB ILE A 54 5.360 2.111 0.305 1.00 0.00 C ATOM 786 CG1 ILE A 54 6.833 1.748 0.506 1.00 0.00 C ATOM 787 CG2 ILE A 54 4.628 0.993 -0.423 1.00 0.00 C ATOM 788 CD1 ILE A 54 7.430 2.326 1.770 1.00 0.00 C ATOM 0 H ILE A 54 6.506 3.449 -2.147 1.00 0.00 H new ATOM 0 HA ILE A 54 4.206 3.782 -0.422 1.00 0.00 H new ATOM 0 HB ILE A 54 4.901 2.243 1.285 1.00 0.00 H new ATOM 0 HG12 ILE A 54 6.931 0.663 0.530 1.00 0.00 H new ATOM 0 HG13 ILE A 54 7.406 2.101 -0.351 1.00 0.00 H new ATOM 0 HG21 ILE A 54 4.724 0.066 0.143 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.573 1.251 -0.520 1.00 0.00 H new ATOM 0 HG23 ILE A 54 5.061 0.860 -1.414 1.00 0.00 H new ATOM 0 HD11 ILE A 54 8.476 2.028 1.848 1.00 0.00 H new ATOM 0 HD12 ILE A 54 7.364 3.414 1.740 1.00 0.00 H new ATOM 0 HD13 ILE A 54 6.881 1.953 2.635 1.00 0.00 H new ATOM 800 N ASN A 55 5.589 5.336 0.979 1.00 0.00 N ATOM 801 CA ASN A 55 6.361 6.379 1.645 1.00 0.00 C ATOM 802 C ASN A 55 7.281 7.090 0.658 1.00 0.00 C ATOM 803 O ASN A 55 8.350 7.574 1.026 1.00 0.00 O ATOM 804 CB ASN A 55 7.185 5.780 2.787 1.00 0.00 C ATOM 805 CG ASN A 55 6.317 5.151 3.859 1.00 0.00 C ATOM 806 OD1 ASN A 55 6.300 3.930 4.022 1.00 0.00 O ATOM 807 ND2 ASN A 55 5.591 5.983 4.597 1.00 0.00 N ATOM 0 H ASN A 55 4.595 5.336 1.208 1.00 0.00 H new ATOM 0 HA ASN A 55 5.662 7.110 2.053 1.00 0.00 H new ATOM 0 HB2 ASN A 55 7.864 5.028 2.386 1.00 0.00 H new ATOM 0 HB3 ASN A 55 7.802 6.560 3.234 1.00 0.00 H new ATOM 0 HD21 ASN A 55 4.988 5.617 5.334 1.00 0.00 H new ATOM 0 HD22 ASN A 55 5.636 6.988 4.427 1.00 0.00 H new ATOM 814 N GLY A 56 6.856 7.149 -0.601 1.00 0.00 N ATOM 815 CA GLY A 56 7.652 7.803 -1.623 1.00 0.00 C ATOM 816 C GLY A 56 8.806 6.943 -2.097 1.00 0.00 C ATOM 817 O GLY A 56 9.905 7.444 -2.333 1.00 0.00 O ATOM 0 H GLY A 56 5.975 6.755 -0.931 1.00 0.00 H new ATOM 0 HA2 GLY A 56 7.015 8.051 -2.472 1.00 0.00 H new ATOM 0 HA3 GLY A 56 8.040 8.743 -1.231 1.00 0.00 H new ATOM 821 N GLN A 57 8.557 5.644 -2.235 1.00 0.00 N ATOM 822 CA GLN A 57 9.586 4.713 -2.682 1.00 0.00 C ATOM 823 C GLN A 57 8.999 3.661 -3.618 1.00 0.00 C ATOM 824 O GLN A 57 7.997 3.021 -3.297 1.00 0.00 O ATOM 825 CB GLN A 57 10.245 4.033 -1.481 1.00 0.00 C ATOM 826 CG GLN A 57 11.253 4.915 -0.761 1.00 0.00 C ATOM 827 CD GLN A 57 12.252 4.115 0.052 1.00 0.00 C ATOM 828 OE1 GLN A 57 11.875 3.270 0.864 1.00 0.00 O ATOM 829 NE2 GLN A 57 13.536 4.378 -0.163 1.00 0.00 N ATOM 0 H GLN A 57 7.652 5.213 -2.044 1.00 0.00 H new ATOM 0 HA GLN A 57 10.340 5.279 -3.229 1.00 0.00 H new ATOM 0 HB2 GLN A 57 9.471 3.729 -0.776 1.00 0.00 H new ATOM 0 HB3 GLN A 57 10.744 3.124 -1.817 1.00 0.00 H new ATOM 0 HG2 GLN A 57 11.788 5.521 -1.492 1.00 0.00 H new ATOM 0 HG3 GLN A 57 10.723 5.604 -0.103 1.00 0.00 H new ATOM 0 HE21 GLN A 57 13.804 5.087 -0.846 1.00 0.00 H new ATOM 0 HE22 GLN A 57 14.254 3.871 0.355 1.00 0.00 H new ATOM 838 N SER A 58 9.628 3.487 -4.775 1.00 0.00 N ATOM 839 CA SER A 58 9.165 2.516 -5.759 1.00 0.00 C ATOM 840 C SER A 58 9.382 1.091 -5.259 1.00 0.00 C ATOM 841 O SER A 58 10.510 0.680 -4.990 1.00 0.00 O ATOM 842 CB SER A 58 9.894 2.718 -7.089 1.00 0.00 C ATOM 843 OG SER A 58 11.284 2.475 -6.951 1.00 0.00 O ATOM 0 H SER A 58 10.460 4.006 -5.054 1.00 0.00 H new ATOM 0 HA SER A 58 8.097 2.671 -5.911 1.00 0.00 H new ATOM 0 HB2 SER A 58 9.477 2.048 -7.841 1.00 0.00 H new ATOM 0 HB3 SER A 58 9.733 3.736 -7.445 1.00 0.00 H new ATOM 0 HG SER A 58 11.432 1.815 -6.241 1.00 0.00 H new ATOM 849 N VAL A 59 8.291 0.341 -5.136 1.00 0.00 N ATOM 850 CA VAL A 59 8.359 -1.038 -4.669 1.00 0.00 C ATOM 851 C VAL A 59 7.587 -1.971 -5.595 1.00 0.00 C ATOM 852 O VAL A 59 7.133 -3.038 -5.182 1.00 0.00 O ATOM 853 CB VAL A 59 7.803 -1.175 -3.239 1.00 0.00 C ATOM 854 CG1 VAL A 59 8.692 -0.441 -2.247 1.00 0.00 C ATOM 855 CG2 VAL A 59 6.374 -0.657 -3.173 1.00 0.00 C ATOM 0 H VAL A 59 7.349 0.666 -5.354 1.00 0.00 H new ATOM 0 HA VAL A 59 9.412 -1.320 -4.670 1.00 0.00 H new ATOM 0 HB VAL A 59 7.796 -2.231 -2.970 1.00 0.00 H new ATOM 0 HG11 VAL A 59 8.283 -0.549 -1.242 1.00 0.00 H new ATOM 0 HG12 VAL A 59 9.697 -0.863 -2.277 1.00 0.00 H new ATOM 0 HG13 VAL A 59 8.735 0.616 -2.509 1.00 0.00 H new ATOM 0 HG21 VAL A 59 5.996 -0.761 -2.156 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.354 0.394 -3.462 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.747 -1.232 -3.854 1.00 0.00 H new ATOM 865 N VAL A 60 7.442 -1.562 -6.851 1.00 0.00 N ATOM 866 CA VAL A 60 6.726 -2.361 -7.838 1.00 0.00 C ATOM 867 C VAL A 60 7.406 -3.709 -8.052 1.00 0.00 C ATOM 868 O VAL A 60 6.747 -4.714 -8.316 1.00 0.00 O ATOM 869 CB VAL A 60 6.627 -1.629 -9.189 1.00 0.00 C ATOM 870 CG1 VAL A 60 7.993 -1.119 -9.622 1.00 0.00 C ATOM 871 CG2 VAL A 60 6.030 -2.543 -10.248 1.00 0.00 C ATOM 0 H VAL A 60 7.811 -0.681 -7.209 1.00 0.00 H new ATOM 0 HA VAL A 60 5.722 -2.522 -7.446 1.00 0.00 H new ATOM 0 HB VAL A 60 5.967 -0.770 -9.069 1.00 0.00 H new ATOM 0 HG11 VAL A 60 7.903 -0.605 -10.579 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.377 -0.427 -8.873 1.00 0.00 H new ATOM 0 HG13 VAL A 60 8.679 -1.960 -9.725 1.00 0.00 H new ATOM 0 HG21 VAL A 60 5.968 -2.009 -11.196 1.00 0.00 H new ATOM 0 HG22 VAL A 60 6.662 -3.423 -10.368 1.00 0.00 H new ATOM 0 HG23 VAL A 60 5.032 -2.853 -9.940 1.00 0.00 H new ATOM 881 N ALA A 61 8.730 -3.722 -7.935 1.00 0.00 N ATOM 882 CA ALA A 61 9.500 -4.947 -8.113 1.00 0.00 C ATOM 883 C ALA A 61 10.006 -5.477 -6.775 1.00 0.00 C ATOM 884 O ALA A 61 10.053 -6.687 -6.551 1.00 0.00 O ATOM 885 CB ALA A 61 10.665 -4.705 -9.061 1.00 0.00 C ATOM 0 H ALA A 61 9.291 -2.898 -7.718 1.00 0.00 H new ATOM 0 HA ALA A 61 8.842 -5.700 -8.547 1.00 0.00 H new ATOM 0 HB1 ALA A 61 11.231 -5.628 -9.185 1.00 0.00 H new ATOM 0 HB2 ALA A 61 10.285 -4.380 -10.029 1.00 0.00 H new ATOM 0 HB3 ALA A 61 11.315 -3.933 -8.649 1.00 0.00 H new ATOM 891 N THR A 62 10.385 -4.563 -5.887 1.00 0.00 N ATOM 892 CA THR A 62 10.890 -4.938 -4.572 1.00 0.00 C ATOM 893 C THR A 62 10.084 -6.090 -3.982 1.00 0.00 C ATOM 894 O THR A 62 8.857 -6.132 -4.075 1.00 0.00 O ATOM 895 CB THR A 62 10.852 -3.747 -3.596 1.00 0.00 C ATOM 896 OG1 THR A 62 11.635 -2.665 -4.112 1.00 0.00 O ATOM 897 CG2 THR A 62 11.379 -4.153 -2.227 1.00 0.00 C ATOM 0 H THR A 62 10.352 -3.557 -6.055 1.00 0.00 H new ATOM 0 HA THR A 62 11.924 -5.254 -4.708 1.00 0.00 H new ATOM 0 HB THR A 62 9.816 -3.426 -3.489 1.00 0.00 H new ATOM 0 HG1 THR A 62 11.604 -1.911 -3.486 1.00 0.00 H new ATOM 0 HG21 THR A 62 11.343 -3.296 -1.554 1.00 0.00 H new ATOM 0 HG22 THR A 62 10.763 -4.957 -1.824 1.00 0.00 H new ATOM 0 HG23 THR A 62 12.409 -4.497 -2.321 1.00 0.00 H new ATOM 905 N PRO A 63 10.787 -7.047 -3.359 1.00 0.00 N ATOM 906 CA PRO A 63 10.157 -8.217 -2.741 1.00 0.00 C ATOM 907 C PRO A 63 9.360 -7.853 -1.492 1.00 0.00 C ATOM 908 O PRO A 63 9.738 -6.952 -0.743 1.00 0.00 O ATOM 909 CB PRO A 63 11.346 -9.109 -2.375 1.00 0.00 C ATOM 910 CG PRO A 63 12.492 -8.169 -2.223 1.00 0.00 C ATOM 911 CD PRO A 63 12.252 -7.060 -3.211 1.00 0.00 C ATOM 0 HA PRO A 63 9.439 -8.694 -3.408 1.00 0.00 H new ATOM 0 HB2 PRO A 63 11.160 -9.658 -1.452 1.00 0.00 H new ATOM 0 HB3 PRO A 63 11.541 -9.848 -3.152 1.00 0.00 H new ATOM 0 HG2 PRO A 63 12.546 -7.781 -1.206 1.00 0.00 H new ATOM 0 HG3 PRO A 63 13.438 -8.672 -2.423 1.00 0.00 H new ATOM 0 HD2 PRO A 63 12.627 -6.105 -2.843 1.00 0.00 H new ATOM 0 HD3 PRO A 63 12.750 -7.253 -4.161 1.00 0.00 H new ATOM 919 N HIS A 64 8.255 -8.560 -1.274 1.00 0.00 N ATOM 920 CA HIS A 64 7.405 -8.312 -0.115 1.00 0.00 C ATOM 921 C HIS A 64 8.244 -8.145 1.148 1.00 0.00 C ATOM 922 O HIS A 64 8.118 -7.150 1.862 1.00 0.00 O ATOM 923 CB HIS A 64 6.410 -9.458 0.068 1.00 0.00 C ATOM 924 CG HIS A 64 5.651 -9.392 1.358 1.00 0.00 C ATOM 925 ND1 HIS A 64 4.402 -8.818 1.468 1.00 0.00 N ATOM 926 CD2 HIS A 64 5.971 -9.833 2.597 1.00 0.00 C ATOM 927 CE1 HIS A 64 3.987 -8.908 2.719 1.00 0.00 C ATOM 928 NE2 HIS A 64 4.921 -9.521 3.424 1.00 0.00 N ATOM 0 H HIS A 64 7.928 -9.309 -1.885 1.00 0.00 H new ATOM 0 HA HIS A 64 6.855 -7.387 -0.290 1.00 0.00 H new ATOM 0 HB2 HIS A 64 5.703 -9.450 -0.761 1.00 0.00 H new ATOM 0 HB3 HIS A 64 6.947 -10.405 0.020 1.00 0.00 H new ATOM 0 HD2 HIS A 64 6.883 -10.337 2.882 1.00 0.00 H new ATOM 0 HE1 HIS A 64 3.045 -8.543 3.100 1.00 0.00 H new ATOM 0 HE2 HIS A 64 4.870 -9.729 4.421 1.00 0.00 H new ATOM 936 N ALA A 65 9.101 -9.125 1.418 1.00 0.00 N ATOM 937 CA ALA A 65 9.961 -9.085 2.594 1.00 0.00 C ATOM 938 C ALA A 65 10.433 -7.664 2.881 1.00 0.00 C ATOM 939 O ALA A 65 10.252 -7.150 3.985 1.00 0.00 O ATOM 940 CB ALA A 65 11.153 -10.012 2.407 1.00 0.00 C ATOM 0 H ALA A 65 9.218 -9.956 0.838 1.00 0.00 H new ATOM 0 HA ALA A 65 9.380 -9.426 3.451 1.00 0.00 H new ATOM 0 HB1 ALA A 65 11.787 -9.972 3.293 1.00 0.00 H new ATOM 0 HB2 ALA A 65 10.800 -11.033 2.258 1.00 0.00 H new ATOM 0 HB3 ALA A 65 11.727 -9.696 1.536 1.00 0.00 H new ATOM 946 N ARG A 66 11.041 -7.034 1.881 1.00 0.00 N ATOM 947 CA ARG A 66 11.541 -5.673 2.027 1.00 0.00 C ATOM 948 C ARG A 66 10.391 -4.688 2.212 1.00 0.00 C ATOM 949 O ARG A 66 10.450 -3.803 3.067 1.00 0.00 O ATOM 950 CB ARG A 66 12.373 -5.278 0.805 1.00 0.00 C ATOM 951 CG ARG A 66 12.689 -3.793 0.737 1.00 0.00 C ATOM 952 CD ARG A 66 13.512 -3.343 1.933 1.00 0.00 C ATOM 953 NE ARG A 66 14.385 -2.219 1.605 1.00 0.00 N ATOM 954 CZ ARG A 66 15.246 -1.682 2.463 1.00 0.00 C ATOM 955 NH1 ARG A 66 15.350 -2.166 3.693 1.00 0.00 N ATOM 956 NH2 ARG A 66 16.006 -0.660 2.090 1.00 0.00 N ATOM 0 H ARG A 66 11.199 -7.445 0.961 1.00 0.00 H new ATOM 0 HA ARG A 66 12.173 -5.639 2.915 1.00 0.00 H new ATOM 0 HB2 ARG A 66 13.307 -5.839 0.815 1.00 0.00 H new ATOM 0 HB3 ARG A 66 11.837 -5.568 -0.098 1.00 0.00 H new ATOM 0 HG2 ARG A 66 13.233 -3.578 -0.182 1.00 0.00 H new ATOM 0 HG3 ARG A 66 11.760 -3.224 0.698 1.00 0.00 H new ATOM 0 HD2 ARG A 66 12.844 -3.058 2.746 1.00 0.00 H new ATOM 0 HD3 ARG A 66 14.115 -4.177 2.293 1.00 0.00 H new ATOM 0 HE ARG A 66 14.331 -1.825 0.666 1.00 0.00 H new ATOM 0 HH11 ARG A 66 14.768 -2.952 3.983 1.00 0.00 H new ATOM 0 HH12 ARG A 66 16.012 -1.752 4.350 1.00 0.00 H new ATOM 0 HH21 ARG A 66 15.929 -0.286 1.144 1.00 0.00 H new ATOM 0 HH22 ARG A 66 16.667 -0.248 2.749 1.00 0.00 H new ATOM 970 N ILE A 67 9.347 -4.847 1.406 1.00 0.00 N ATOM 971 CA ILE A 67 8.183 -3.972 1.482 1.00 0.00 C ATOM 972 C ILE A 67 7.672 -3.860 2.914 1.00 0.00 C ATOM 973 O ILE A 67 7.340 -2.770 3.382 1.00 0.00 O ATOM 974 CB ILE A 67 7.041 -4.475 0.579 1.00 0.00 C ATOM 975 CG1 ILE A 67 7.448 -4.387 -0.893 1.00 0.00 C ATOM 976 CG2 ILE A 67 5.773 -3.673 0.833 1.00 0.00 C ATOM 977 CD1 ILE A 67 6.797 -5.437 -1.764 1.00 0.00 C ATOM 0 H ILE A 67 9.283 -5.573 0.693 1.00 0.00 H new ATOM 0 HA ILE A 67 8.504 -2.990 1.135 1.00 0.00 H new ATOM 0 HB ILE A 67 6.841 -5.519 0.819 1.00 0.00 H new ATOM 0 HG12 ILE A 67 7.190 -3.399 -1.274 1.00 0.00 H new ATOM 0 HG13 ILE A 67 8.531 -4.485 -0.968 1.00 0.00 H new ATOM 0 HG21 ILE A 67 4.975 -4.040 0.188 1.00 0.00 H new ATOM 0 HG22 ILE A 67 5.476 -3.783 1.876 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.959 -2.621 0.618 1.00 0.00 H new ATOM 0 HD11 ILE A 67 7.132 -5.314 -2.794 1.00 0.00 H new ATOM 0 HD12 ILE A 67 7.076 -6.429 -1.408 1.00 0.00 H new ATOM 0 HD13 ILE A 67 5.714 -5.327 -1.719 1.00 0.00 H new ATOM 989 N ILE A 68 7.614 -4.993 3.606 1.00 0.00 N ATOM 990 CA ILE A 68 7.147 -5.021 4.987 1.00 0.00 C ATOM 991 C ILE A 68 8.060 -4.201 5.893 1.00 0.00 C ATOM 992 O ILE A 68 7.593 -3.366 6.667 1.00 0.00 O ATOM 993 CB ILE A 68 7.068 -6.462 5.525 1.00 0.00 C ATOM 994 CG1 ILE A 68 6.149 -7.309 4.642 1.00 0.00 C ATOM 995 CG2 ILE A 68 6.576 -6.463 6.965 1.00 0.00 C ATOM 996 CD1 ILE A 68 4.692 -6.913 4.731 1.00 0.00 C ATOM 0 H ILE A 68 7.884 -5.903 3.233 1.00 0.00 H new ATOM 0 HA ILE A 68 6.148 -4.585 4.991 1.00 0.00 H new ATOM 0 HB ILE A 68 8.067 -6.898 5.502 1.00 0.00 H new ATOM 0 HG12 ILE A 68 6.477 -7.226 3.606 1.00 0.00 H new ATOM 0 HG13 ILE A 68 6.250 -8.357 4.926 1.00 0.00 H new ATOM 0 HG21 ILE A 68 6.525 -7.488 7.331 1.00 0.00 H new ATOM 0 HG22 ILE A 68 7.265 -5.890 7.585 1.00 0.00 H new ATOM 0 HG23 ILE A 68 5.585 -6.012 7.011 1.00 0.00 H new ATOM 0 HD11 ILE A 68 4.100 -7.555 4.079 1.00 0.00 H new ATOM 0 HD12 ILE A 68 4.347 -7.023 5.759 1.00 0.00 H new ATOM 0 HD13 ILE A 68 4.577 -5.875 4.419 1.00 0.00 H new ATOM 1008 N GLU A 69 9.362 -4.446 5.789 1.00 0.00 N ATOM 1009 CA GLU A 69 10.340 -3.729 6.599 1.00 0.00 C ATOM 1010 C GLU A 69 10.188 -2.220 6.427 1.00 0.00 C ATOM 1011 O GLU A 69 10.393 -1.453 7.368 1.00 0.00 O ATOM 1012 CB GLU A 69 11.760 -4.156 6.221 1.00 0.00 C ATOM 1013 CG GLU A 69 12.244 -5.389 6.967 1.00 0.00 C ATOM 1014 CD GLU A 69 12.372 -5.155 8.459 1.00 0.00 C ATOM 1015 OE1 GLU A 69 13.291 -4.415 8.868 1.00 0.00 O ATOM 1016 OE2 GLU A 69 11.552 -5.712 9.219 1.00 0.00 O ATOM 0 H GLU A 69 9.764 -5.135 5.153 1.00 0.00 H new ATOM 0 HA GLU A 69 10.160 -3.978 7.645 1.00 0.00 H new ATOM 0 HB2 GLU A 69 11.798 -4.352 5.149 1.00 0.00 H new ATOM 0 HB3 GLU A 69 12.443 -3.330 6.419 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.551 -6.211 6.790 1.00 0.00 H new ATOM 0 HG3 GLU A 69 13.211 -5.695 6.567 1.00 0.00 H new ATOM 1023 N LEU A 70 9.828 -1.802 5.219 1.00 0.00 N ATOM 1024 CA LEU A 70 9.649 -0.385 4.922 1.00 0.00 C ATOM 1025 C LEU A 70 8.384 0.154 5.582 1.00 0.00 C ATOM 1026 O LEU A 70 8.450 0.977 6.496 1.00 0.00 O ATOM 1027 CB LEU A 70 9.582 -0.166 3.409 1.00 0.00 C ATOM 1028 CG LEU A 70 10.925 -0.064 2.685 1.00 0.00 C ATOM 1029 CD1 LEU A 70 10.714 0.237 1.210 1.00 0.00 C ATOM 1030 CD2 LEU A 70 11.798 1.003 3.330 1.00 0.00 C ATOM 0 H LEU A 70 9.654 -2.424 4.429 1.00 0.00 H new ATOM 0 HA LEU A 70 10.505 0.157 5.324 1.00 0.00 H new ATOM 0 HB2 LEU A 70 9.016 -0.986 2.968 1.00 0.00 H new ATOM 0 HB3 LEU A 70 9.019 0.748 3.219 1.00 0.00 H new ATOM 0 HG LEU A 70 11.436 -1.023 2.769 1.00 0.00 H new ATOM 0 HD11 LEU A 70 11.681 0.306 0.711 1.00 0.00 H new ATOM 0 HD12 LEU A 70 10.127 -0.562 0.756 1.00 0.00 H new ATOM 0 HD13 LEU A 70 10.183 1.183 1.104 1.00 0.00 H new ATOM 0 HD21 LEU A 70 12.750 1.062 2.802 1.00 0.00 H new ATOM 0 HD22 LEU A 70 11.293 1.967 3.277 1.00 0.00 H new ATOM 0 HD23 LEU A 70 11.977 0.745 4.374 1.00 0.00 H new ATOM 1042 N LEU A 71 7.233 -0.317 5.115 1.00 0.00 N ATOM 1043 CA LEU A 71 5.951 0.116 5.662 1.00 0.00 C ATOM 1044 C LEU A 71 6.014 0.215 7.182 1.00 0.00 C ATOM 1045 O LEU A 71 5.517 1.175 7.774 1.00 0.00 O ATOM 1046 CB LEU A 71 4.844 -0.854 5.247 1.00 0.00 C ATOM 1047 CG LEU A 71 4.260 -0.649 3.849 1.00 0.00 C ATOM 1048 CD1 LEU A 71 3.420 -1.849 3.440 1.00 0.00 C ATOM 1049 CD2 LEU A 71 3.430 0.626 3.800 1.00 0.00 C ATOM 0 H LEU A 71 7.161 -0.998 4.359 1.00 0.00 H new ATOM 0 HA LEU A 71 5.727 1.105 5.261 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.236 -1.869 5.310 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.033 -0.780 5.972 1.00 0.00 H new ATOM 0 HG LEU A 71 5.084 -0.551 3.143 1.00 0.00 H new ATOM 0 HD11 LEU A 71 3.013 -1.685 2.442 1.00 0.00 H new ATOM 0 HD12 LEU A 71 4.042 -2.744 3.435 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.602 -1.979 4.149 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.022 0.756 2.798 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.613 0.556 4.518 1.00 0.00 H new ATOM 0 HD23 LEU A 71 4.060 1.480 4.049 1.00 0.00 H new ATOM 1061 N THR A 72 6.629 -0.781 7.811 1.00 0.00 N ATOM 1062 CA THR A 72 6.758 -0.806 9.262 1.00 0.00 C ATOM 1063 C THR A 72 7.661 0.319 9.753 1.00 0.00 C ATOM 1064 O THR A 72 7.325 1.026 10.703 1.00 0.00 O ATOM 1065 CB THR A 72 7.322 -2.153 9.753 1.00 0.00 C ATOM 1066 OG1 THR A 72 6.472 -3.224 9.328 1.00 0.00 O ATOM 1067 CG2 THR A 72 7.445 -2.168 11.269 1.00 0.00 C ATOM 0 H THR A 72 7.046 -1.582 7.337 1.00 0.00 H new ATOM 0 HA THR A 72 5.757 -0.669 9.671 1.00 0.00 H new ATOM 0 HB THR A 72 8.315 -2.285 9.322 1.00 0.00 H new ATOM 0 HG1 THR A 72 6.691 -3.468 8.405 1.00 0.00 H new ATOM 0 HG21 THR A 72 7.845 -3.129 11.592 1.00 0.00 H new ATOM 0 HG22 THR A 72 8.116 -1.370 11.588 1.00 0.00 H new ATOM 0 HG23 THR A 72 6.462 -2.016 11.715 1.00 0.00 H new ATOM 1075 N GLU A 73 8.808 0.480 9.100 1.00 0.00 N ATOM 1076 CA GLU A 73 9.759 1.520 9.472 1.00 0.00 C ATOM 1077 C GLU A 73 9.123 2.903 9.361 1.00 0.00 C ATOM 1078 O GLU A 73 9.655 3.886 9.877 1.00 0.00 O ATOM 1079 CB GLU A 73 11.003 1.446 8.585 1.00 0.00 C ATOM 1080 CG GLU A 73 11.980 0.358 8.997 1.00 0.00 C ATOM 1081 CD GLU A 73 13.032 0.088 7.939 1.00 0.00 C ATOM 1082 OE1 GLU A 73 12.701 0.167 6.738 1.00 0.00 O ATOM 1083 OE2 GLU A 73 14.188 -0.203 8.313 1.00 0.00 O ATOM 0 H GLU A 73 9.101 -0.097 8.311 1.00 0.00 H new ATOM 0 HA GLU A 73 10.051 1.355 10.509 1.00 0.00 H new ATOM 0 HB2 GLU A 73 10.694 1.274 7.554 1.00 0.00 H new ATOM 0 HB3 GLU A 73 11.513 2.409 8.608 1.00 0.00 H new ATOM 0 HG2 GLU A 73 12.471 0.648 9.926 1.00 0.00 H new ATOM 0 HG3 GLU A 73 11.430 -0.561 9.200 1.00 0.00 H new ATOM 1090 N ALA A 74 7.982 2.971 8.683 1.00 0.00 N ATOM 1091 CA ALA A 74 7.273 4.232 8.504 1.00 0.00 C ATOM 1092 C ALA A 74 6.057 4.312 9.421 1.00 0.00 C ATOM 1093 O ALA A 74 5.156 3.476 9.348 1.00 0.00 O ATOM 1094 CB ALA A 74 6.853 4.400 7.052 1.00 0.00 C ATOM 0 H ALA A 74 7.529 2.167 8.248 1.00 0.00 H new ATOM 0 HA ALA A 74 7.951 5.043 8.770 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.325 5.346 6.933 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.737 4.396 6.415 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.196 3.579 6.766 1.00 0.00 H new ATOM 1100 N TYR A 75 6.039 5.322 10.284 1.00 0.00 N ATOM 1101 CA TYR A 75 4.935 5.509 11.218 1.00 0.00 C ATOM 1102 C TYR A 75 4.178 6.799 10.915 1.00 0.00 C ATOM 1103 O TYR A 75 4.679 7.676 10.212 1.00 0.00 O ATOM 1104 CB TYR A 75 5.455 5.536 12.656 1.00 0.00 C ATOM 1105 CG TYR A 75 6.671 4.666 12.876 1.00 0.00 C ATOM 1106 CD1 TYR A 75 7.936 5.096 12.492 1.00 0.00 C ATOM 1107 CD2 TYR A 75 6.557 3.415 13.469 1.00 0.00 C ATOM 1108 CE1 TYR A 75 9.050 4.304 12.691 1.00 0.00 C ATOM 1109 CE2 TYR A 75 7.666 2.616 13.673 1.00 0.00 C ATOM 1110 CZ TYR A 75 8.910 3.065 13.282 1.00 0.00 C ATOM 1111 OH TYR A 75 10.018 2.274 13.483 1.00 0.00 O ATOM 0 H TYR A 75 6.776 6.023 10.356 1.00 0.00 H new ATOM 0 HA TYR A 75 4.249 4.670 11.102 1.00 0.00 H new ATOM 0 HB2 TYR A 75 5.700 6.563 12.926 1.00 0.00 H new ATOM 0 HB3 TYR A 75 4.660 5.211 13.327 1.00 0.00 H new ATOM 0 HD1 TYR A 75 8.050 6.066 12.030 1.00 0.00 H new ATOM 0 HD2 TYR A 75 5.584 3.060 13.776 1.00 0.00 H new ATOM 0 HE1 TYR A 75 10.025 4.653 12.386 1.00 0.00 H new ATOM 0 HE2 TYR A 75 7.559 1.646 14.136 1.00 0.00 H new ATOM 0 HH TYR A 75 9.748 1.435 13.911 1.00 0.00 H new ATOM 1121 N GLY A 76 2.966 6.907 11.452 1.00 0.00 N ATOM 1122 CA GLY A 76 2.159 8.092 11.229 1.00 0.00 C ATOM 1123 C GLY A 76 1.652 8.189 9.803 1.00 0.00 C ATOM 1124 O GLY A 76 0.952 7.297 9.326 1.00 0.00 O ATOM 0 H GLY A 76 2.529 6.195 12.037 1.00 0.00 H new ATOM 0 HA2 GLY A 76 1.311 8.084 11.913 1.00 0.00 H new ATOM 0 HA3 GLY A 76 2.749 8.979 11.463 1.00 0.00 H new ATOM 1128 N GLU A 77 2.006 9.275 9.124 1.00 0.00 N ATOM 1129 CA GLU A 77 1.580 9.485 7.745 1.00 0.00 C ATOM 1130 C GLU A 77 2.343 8.567 6.794 1.00 0.00 C ATOM 1131 O GLU A 77 3.557 8.689 6.636 1.00 0.00 O ATOM 1132 CB GLU A 77 1.790 10.946 7.340 1.00 0.00 C ATOM 1133 CG GLU A 77 1.411 11.238 5.898 1.00 0.00 C ATOM 1134 CD GLU A 77 2.572 11.050 4.940 1.00 0.00 C ATOM 1135 OE1 GLU A 77 2.904 9.887 4.631 1.00 0.00 O ATOM 1136 OE2 GLU A 77 3.148 12.067 4.500 1.00 0.00 O ATOM 0 H GLU A 77 2.586 10.022 9.505 1.00 0.00 H new ATOM 0 HA GLU A 77 0.519 9.246 7.679 1.00 0.00 H new ATOM 0 HB2 GLU A 77 1.201 11.585 7.998 1.00 0.00 H new ATOM 0 HB3 GLU A 77 2.837 11.210 7.492 1.00 0.00 H new ATOM 0 HG2 GLU A 77 0.591 10.584 5.602 1.00 0.00 H new ATOM 0 HG3 GLU A 77 1.045 12.262 5.823 1.00 0.00 H new ATOM 1143 N VAL A 78 1.620 7.647 6.163 1.00 0.00 N ATOM 1144 CA VAL A 78 2.227 6.709 5.226 1.00 0.00 C ATOM 1145 C VAL A 78 1.557 6.786 3.859 1.00 0.00 C ATOM 1146 O VAL A 78 0.446 6.290 3.671 1.00 0.00 O ATOM 1147 CB VAL A 78 2.140 5.262 5.747 1.00 0.00 C ATOM 1148 CG1 VAL A 78 2.953 4.327 4.864 1.00 0.00 C ATOM 1149 CG2 VAL A 78 2.611 5.187 7.192 1.00 0.00 C ATOM 0 H VAL A 78 0.614 7.531 6.284 1.00 0.00 H new ATOM 0 HA VAL A 78 3.275 6.991 5.129 1.00 0.00 H new ATOM 0 HB VAL A 78 1.098 4.943 5.711 1.00 0.00 H new ATOM 0 HG11 VAL A 78 2.880 3.309 5.247 1.00 0.00 H new ATOM 0 HG12 VAL A 78 2.566 4.360 3.846 1.00 0.00 H new ATOM 0 HG13 VAL A 78 3.997 4.641 4.866 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.543 4.158 7.544 1.00 0.00 H new ATOM 0 HG22 VAL A 78 3.646 5.524 7.255 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.982 5.825 7.813 1.00 0.00 H new ATOM 1159 N HIS A 79 2.241 7.411 2.906 1.00 0.00 N ATOM 1160 CA HIS A 79 1.713 7.553 1.554 1.00 0.00 C ATOM 1161 C HIS A 79 1.831 6.240 0.784 1.00 0.00 C ATOM 1162 O HIS A 79 2.907 5.889 0.299 1.00 0.00 O ATOM 1163 CB HIS A 79 2.454 8.663 0.808 1.00 0.00 C ATOM 1164 CG HIS A 79 1.892 10.029 1.055 1.00 0.00 C ATOM 1165 ND1 HIS A 79 1.825 11.003 0.081 1.00 0.00 N ATOM 1166 CD2 HIS A 79 1.366 10.581 2.173 1.00 0.00 C ATOM 1167 CE1 HIS A 79 1.284 12.095 0.590 1.00 0.00 C ATOM 1168 NE2 HIS A 79 0.996 11.865 1.859 1.00 0.00 N ATOM 0 H HIS A 79 3.162 7.827 3.045 1.00 0.00 H new ATOM 0 HA HIS A 79 0.658 7.817 1.628 1.00 0.00 H new ATOM 0 HB2 HIS A 79 3.503 8.651 1.105 1.00 0.00 H new ATOM 0 HB3 HIS A 79 2.423 8.454 -0.261 1.00 0.00 H new ATOM 0 HD2 HIS A 79 1.257 10.100 3.134 1.00 0.00 H new ATOM 0 HE1 HIS A 79 1.107 13.019 0.059 1.00 0.00 H new ATOM 0 HE2 HIS A 79 0.568 12.533 2.501 1.00 0.00 H new ATOM 1176 N ILE A 80 0.719 5.521 0.677 1.00 0.00 N ATOM 1177 CA ILE A 80 0.699 4.248 -0.033 1.00 0.00 C ATOM 1178 C ILE A 80 0.045 4.394 -1.403 1.00 0.00 C ATOM 1179 O ILE A 80 -1.116 4.788 -1.511 1.00 0.00 O ATOM 1180 CB ILE A 80 -0.051 3.168 0.768 1.00 0.00 C ATOM 1181 CG1 ILE A 80 0.775 2.737 1.982 1.00 0.00 C ATOM 1182 CG2 ILE A 80 -0.364 1.972 -0.118 1.00 0.00 C ATOM 1183 CD1 ILE A 80 0.030 1.818 2.925 1.00 0.00 C ATOM 0 H ILE A 80 -0.179 5.798 1.073 1.00 0.00 H new ATOM 0 HA ILE A 80 1.737 3.940 -0.158 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.992 3.588 1.123 1.00 0.00 H new ATOM 0 HG12 ILE A 80 1.679 2.235 1.637 1.00 0.00 H new ATOM 0 HG13 ILE A 80 1.093 3.625 2.529 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -0.894 1.218 0.463 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -0.988 2.291 -0.953 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.565 1.549 -0.500 1.00 0.00 H new ATOM 0 HD11 ILE A 80 0.677 1.553 3.762 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -0.859 2.325 3.300 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -0.265 0.913 2.394 1.00 0.00 H new ATOM 1195 N LYS A 81 0.798 4.072 -2.449 1.00 0.00 N ATOM 1196 CA LYS A 81 0.293 4.163 -3.814 1.00 0.00 C ATOM 1197 C LYS A 81 -0.215 2.809 -4.298 1.00 0.00 C ATOM 1198 O LYS A 81 0.569 1.892 -4.545 1.00 0.00 O ATOM 1199 CB LYS A 81 1.389 4.674 -4.752 1.00 0.00 C ATOM 1200 CG LYS A 81 0.853 5.318 -6.019 1.00 0.00 C ATOM 1201 CD LYS A 81 1.919 6.146 -6.718 1.00 0.00 C ATOM 1202 CE LYS A 81 1.997 7.552 -6.144 1.00 0.00 C ATOM 1203 NZ LYS A 81 0.975 8.454 -6.744 1.00 0.00 N ATOM 0 H LYS A 81 1.762 3.745 -2.378 1.00 0.00 H new ATOM 0 HA LYS A 81 -0.539 4.867 -3.821 1.00 0.00 H new ATOM 0 HB2 LYS A 81 2.004 5.399 -4.218 1.00 0.00 H new ATOM 0 HB3 LYS A 81 2.040 3.843 -5.024 1.00 0.00 H new ATOM 0 HG2 LYS A 81 0.490 4.545 -6.696 1.00 0.00 H new ATOM 0 HG3 LYS A 81 0.001 5.952 -5.774 1.00 0.00 H new ATOM 0 HD2 LYS A 81 2.887 5.656 -6.616 1.00 0.00 H new ATOM 0 HD3 LYS A 81 1.699 6.199 -7.784 1.00 0.00 H new ATOM 0 HE2 LYS A 81 1.856 7.512 -5.064 1.00 0.00 H new ATOM 0 HE3 LYS A 81 2.991 7.962 -6.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 1.061 9.403 -6.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 1.125 8.513 -7.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 0.025 8.077 -6.554 1.00 0.00 H new ATOM 1217 N THR A 82 -1.532 2.689 -4.433 1.00 0.00 N ATOM 1218 CA THR A 82 -2.144 1.447 -4.888 1.00 0.00 C ATOM 1219 C THR A 82 -2.419 1.486 -6.386 1.00 0.00 C ATOM 1220 O THR A 82 -2.747 2.536 -6.939 1.00 0.00 O ATOM 1221 CB THR A 82 -3.462 1.165 -4.143 1.00 0.00 C ATOM 1222 OG1 THR A 82 -4.275 2.343 -4.122 1.00 0.00 O ATOM 1223 CG2 THR A 82 -3.191 0.705 -2.718 1.00 0.00 C ATOM 0 H THR A 82 -2.196 3.438 -4.234 1.00 0.00 H new ATOM 0 HA THR A 82 -1.435 0.648 -4.673 1.00 0.00 H new ATOM 0 HB THR A 82 -3.988 0.370 -4.671 1.00 0.00 H new ATOM 0 HG1 THR A 82 -4.030 2.923 -4.873 1.00 0.00 H new ATOM 0 HG21 THR A 82 -4.137 0.512 -2.212 1.00 0.00 H new ATOM 0 HG22 THR A 82 -2.597 -0.209 -2.737 1.00 0.00 H new ATOM 0 HG23 THR A 82 -2.645 1.482 -2.183 1.00 0.00 H new ATOM 1231 N MET A 83 -2.284 0.336 -7.038 1.00 0.00 N ATOM 1232 CA MET A 83 -2.520 0.240 -8.474 1.00 0.00 C ATOM 1233 C MET A 83 -2.899 -1.184 -8.869 1.00 0.00 C ATOM 1234 O MET A 83 -2.298 -2.159 -8.418 1.00 0.00 O ATOM 1235 CB MET A 83 -1.276 0.682 -9.248 1.00 0.00 C ATOM 1236 CG MET A 83 -1.431 0.579 -10.757 1.00 0.00 C ATOM 1237 SD MET A 83 0.095 0.956 -11.639 1.00 0.00 S ATOM 1238 CE MET A 83 -0.467 2.239 -12.755 1.00 0.00 C ATOM 0 H MET A 83 -2.013 -0.542 -6.595 1.00 0.00 H new ATOM 0 HA MET A 83 -3.349 0.901 -8.725 1.00 0.00 H new ATOM 0 HB2 MET A 83 -1.042 1.713 -8.985 1.00 0.00 H new ATOM 0 HB3 MET A 83 -0.428 0.073 -8.936 1.00 0.00 H new ATOM 0 HG2 MET A 83 -1.757 -0.428 -11.017 1.00 0.00 H new ATOM 0 HG3 MET A 83 -2.214 1.262 -11.085 1.00 0.00 H new ATOM 0 HE1 MET A 83 0.305 2.439 -13.498 1.00 0.00 H new ATOM 0 HE2 MET A 83 -1.377 1.911 -13.257 1.00 0.00 H new ATOM 0 HE3 MET A 83 -0.672 3.148 -12.190 1.00 0.00 H new ATOM 1248 N PRO A 84 -3.921 -1.309 -9.729 1.00 0.00 N ATOM 1249 CA PRO A 84 -4.403 -2.610 -10.202 1.00 0.00 C ATOM 1250 C PRO A 84 -3.407 -3.293 -11.133 1.00 0.00 C ATOM 1251 O PRO A 84 -2.966 -2.708 -12.122 1.00 0.00 O ATOM 1252 CB PRO A 84 -5.688 -2.259 -10.957 1.00 0.00 C ATOM 1253 CG PRO A 84 -5.501 -0.844 -11.385 1.00 0.00 C ATOM 1254 CD PRO A 84 -4.684 -0.189 -10.306 1.00 0.00 C ATOM 0 HA PRO A 84 -4.553 -3.312 -9.382 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -5.835 -2.916 -11.814 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -6.565 -2.367 -10.318 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -4.991 -0.792 -12.347 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -6.461 -0.343 -11.506 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -4.026 0.579 -10.711 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -5.316 0.293 -9.560 1.00 0.00 H new ATOM 1262 N ALA A 85 -3.059 -4.534 -10.811 1.00 0.00 N ATOM 1263 CA ALA A 85 -2.117 -5.298 -11.621 1.00 0.00 C ATOM 1264 C ALA A 85 -2.485 -5.231 -13.099 1.00 0.00 C ATOM 1265 O ALA A 85 -1.627 -5.006 -13.952 1.00 0.00 O ATOM 1266 CB ALA A 85 -2.070 -6.744 -11.152 1.00 0.00 C ATOM 0 H ALA A 85 -3.415 -5.032 -9.995 1.00 0.00 H new ATOM 0 HA ALA A 85 -1.128 -4.856 -11.499 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -1.363 -7.303 -11.765 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -1.753 -6.778 -10.110 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -3.061 -7.189 -11.244 1.00 0.00 H new ATOM 1272 N ALA A 86 -3.765 -5.429 -13.396 1.00 0.00 N ATOM 1273 CA ALA A 86 -4.246 -5.390 -14.771 1.00 0.00 C ATOM 1274 C ALA A 86 -3.703 -4.170 -15.508 1.00 0.00 C ATOM 1275 O ALA A 86 -2.910 -4.298 -16.442 1.00 0.00 O ATOM 1276 CB ALA A 86 -5.767 -5.392 -14.799 1.00 0.00 C ATOM 0 H ALA A 86 -4.488 -5.618 -12.702 1.00 0.00 H new ATOM 0 HA ALA A 86 -3.883 -6.282 -15.282 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -6.112 -5.363 -15.833 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.139 -6.297 -14.318 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -6.142 -4.518 -14.266 1.00 0.00 H new ATOM 1282 N THR A 87 -4.136 -2.987 -15.084 1.00 0.00 N ATOM 1283 CA THR A 87 -3.695 -1.745 -15.704 1.00 0.00 C ATOM 1284 C THR A 87 -2.189 -1.753 -15.943 1.00 0.00 C ATOM 1285 O THR A 87 -1.730 -1.610 -17.077 1.00 0.00 O ATOM 1286 CB THR A 87 -4.058 -0.524 -14.838 1.00 0.00 C ATOM 1287 OG1 THR A 87 -5.481 -0.377 -14.771 1.00 0.00 O ATOM 1288 CG2 THR A 87 -3.439 0.745 -15.403 1.00 0.00 C ATOM 0 H THR A 87 -4.792 -2.863 -14.313 1.00 0.00 H new ATOM 0 HA THR A 87 -4.212 -1.670 -16.661 1.00 0.00 H new ATOM 0 HB THR A 87 -3.662 -0.687 -13.836 1.00 0.00 H new ATOM 0 HG1 THR A 87 -5.704 0.400 -14.217 1.00 0.00 H new ATOM 0 HG21 THR A 87 -3.710 1.593 -14.774 1.00 0.00 H new ATOM 0 HG22 THR A 87 -2.354 0.642 -15.426 1.00 0.00 H new ATOM 0 HG23 THR A 87 -3.809 0.911 -16.415 1.00 0.00 H new ATOM 1296 N TYR A 88 -1.426 -1.923 -14.870 1.00 0.00 N ATOM 1297 CA TYR A 88 0.029 -1.949 -14.963 1.00 0.00 C ATOM 1298 C TYR A 88 0.486 -2.852 -16.105 1.00 0.00 C ATOM 1299 O TYR A 88 1.070 -2.388 -17.083 1.00 0.00 O ATOM 1300 CB TYR A 88 0.637 -2.428 -13.644 1.00 0.00 C ATOM 1301 CG TYR A 88 2.026 -1.888 -13.386 1.00 0.00 C ATOM 1302 CD1 TYR A 88 2.971 -1.831 -14.403 1.00 0.00 C ATOM 1303 CD2 TYR A 88 2.393 -1.434 -12.125 1.00 0.00 C ATOM 1304 CE1 TYR A 88 4.241 -1.339 -14.172 1.00 0.00 C ATOM 1305 CE2 TYR A 88 3.660 -0.939 -11.885 1.00 0.00 C ATOM 1306 CZ TYR A 88 4.581 -0.894 -12.911 1.00 0.00 C ATOM 1307 OH TYR A 88 5.844 -0.402 -12.677 1.00 0.00 O ATOM 0 H TYR A 88 -1.790 -2.045 -13.925 1.00 0.00 H new ATOM 0 HA TYR A 88 0.373 -0.935 -15.166 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -0.017 -2.132 -12.824 1.00 0.00 H new ATOM 0 HB3 TYR A 88 0.674 -3.517 -13.645 1.00 0.00 H new ATOM 0 HD1 TYR A 88 2.708 -2.177 -15.392 1.00 0.00 H new ATOM 0 HD2 TYR A 88 1.675 -1.469 -11.319 1.00 0.00 H new ATOM 0 HE1 TYR A 88 4.964 -1.303 -14.974 1.00 0.00 H new ATOM 0 HE2 TYR A 88 3.928 -0.589 -10.899 1.00 0.00 H new ATOM 0 HH TYR A 88 5.891 -0.042 -11.767 1.00 0.00 H new ATOM 1317 N ARG A 89 0.214 -4.146 -15.971 1.00 0.00 N ATOM 1318 CA ARG A 89 0.597 -5.117 -16.989 1.00 0.00 C ATOM 1319 C ARG A 89 0.251 -4.606 -18.385 1.00 0.00 C ATOM 1320 O ARG A 89 0.999 -4.820 -19.340 1.00 0.00 O ATOM 1321 CB ARG A 89 -0.100 -6.455 -16.737 1.00 0.00 C ATOM 1322 CG ARG A 89 0.248 -7.080 -15.396 1.00 0.00 C ATOM 1323 CD ARG A 89 0.192 -8.598 -15.457 1.00 0.00 C ATOM 1324 NE ARG A 89 1.478 -9.179 -15.832 1.00 0.00 N ATOM 1325 CZ ARG A 89 1.611 -10.383 -16.376 1.00 0.00 C ATOM 1326 NH1 ARG A 89 0.541 -11.131 -16.607 1.00 0.00 N ATOM 1327 NH2 ARG A 89 2.816 -10.842 -16.689 1.00 0.00 N ATOM 0 H ARG A 89 -0.270 -4.546 -15.167 1.00 0.00 H new ATOM 0 HA ARG A 89 1.676 -5.261 -16.930 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -1.179 -6.309 -16.791 1.00 0.00 H new ATOM 0 HB3 ARG A 89 0.168 -7.150 -17.533 1.00 0.00 H new ATOM 0 HG2 ARG A 89 1.246 -6.764 -15.094 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -0.444 -6.720 -14.635 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -0.113 -8.989 -14.486 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -0.567 -8.904 -16.176 1.00 0.00 H new ATOM 0 HE ARG A 89 2.321 -8.629 -15.667 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -0.387 -10.782 -16.367 1.00 0.00 H new ATOM 0 HH12 ARG A 89 0.646 -12.056 -17.025 1.00 0.00 H new ATOM 0 HH21 ARG A 89 3.642 -10.270 -16.512 1.00 0.00 H new ATOM 0 HH22 ARG A 89 2.917 -11.767 -17.107 1.00 0.00 H new ATOM 1341 N LEU A 90 -0.887 -3.929 -18.496 1.00 0.00 N ATOM 1342 CA LEU A 90 -1.334 -3.387 -19.774 1.00 0.00 C ATOM 1343 C LEU A 90 -0.501 -2.173 -20.171 1.00 0.00 C ATOM 1344 O LEU A 90 -0.280 -1.918 -21.356 1.00 0.00 O ATOM 1345 CB LEU A 90 -2.813 -3.004 -19.700 1.00 0.00 C ATOM 1346 CG LEU A 90 -3.810 -4.101 -20.076 1.00 0.00 C ATOM 1347 CD1 LEU A 90 -5.228 -3.672 -19.733 1.00 0.00 C ATOM 1348 CD2 LEU A 90 -3.697 -4.440 -21.554 1.00 0.00 C ATOM 0 H LEU A 90 -1.517 -3.742 -17.716 1.00 0.00 H new ATOM 0 HA LEU A 90 -1.204 -4.158 -20.533 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -3.032 -2.674 -18.684 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -2.980 -2.149 -20.355 1.00 0.00 H new ATOM 0 HG LEU A 90 -3.573 -4.995 -19.500 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -5.924 -4.465 -20.007 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -5.301 -3.479 -18.663 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -5.477 -2.764 -20.283 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -4.414 -5.222 -21.804 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.908 -3.551 -22.148 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.688 -4.790 -21.771 1.00 0.00 H new ATOM 1360 N LEU A 91 -0.040 -1.427 -19.174 1.00 0.00 N ATOM 1361 CA LEU A 91 0.771 -0.239 -19.418 1.00 0.00 C ATOM 1362 C LEU A 91 2.143 -0.619 -19.966 1.00 0.00 C ATOM 1363 O LEU A 91 2.644 0.002 -20.904 1.00 0.00 O ATOM 1364 CB LEU A 91 0.930 0.568 -18.129 1.00 0.00 C ATOM 1365 CG LEU A 91 -0.359 1.118 -17.517 1.00 0.00 C ATOM 1366 CD1 LEU A 91 -0.230 1.223 -16.006 1.00 0.00 C ATOM 1367 CD2 LEU A 91 -0.701 2.472 -18.121 1.00 0.00 C ATOM 0 H LEU A 91 -0.214 -1.623 -18.188 1.00 0.00 H new ATOM 0 HA LEU A 91 0.260 0.373 -20.161 1.00 0.00 H new ATOM 0 HB2 LEU A 91 1.420 -0.063 -17.387 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.600 1.405 -18.328 1.00 0.00 H new ATOM 0 HG LEU A 91 -1.170 0.426 -17.744 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -1.157 1.616 -15.588 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.034 0.236 -15.588 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.593 1.893 -15.757 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -1.621 2.848 -17.674 1.00 0.00 H new ATOM 0 HD22 LEU A 91 0.110 3.173 -17.925 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -0.838 2.366 -19.197 1.00 0.00 H new ATOM 1379 N THR A 92 2.746 -1.647 -19.376 1.00 0.00 N ATOM 1380 CA THR A 92 4.059 -2.112 -19.805 1.00 0.00 C ATOM 1381 C THR A 92 3.939 -3.161 -20.905 1.00 0.00 C ATOM 1382 O THR A 92 4.843 -3.971 -21.105 1.00 0.00 O ATOM 1383 CB THR A 92 4.856 -2.706 -18.629 1.00 0.00 C ATOM 1384 OG1 THR A 92 4.272 -3.947 -18.218 1.00 0.00 O ATOM 1385 CG2 THR A 92 4.888 -1.741 -17.454 1.00 0.00 C ATOM 0 H THR A 92 2.345 -2.173 -18.599 1.00 0.00 H new ATOM 0 HA THR A 92 4.591 -1.243 -20.193 1.00 0.00 H new ATOM 0 HB THR A 92 5.879 -2.880 -18.964 1.00 0.00 H new ATOM 0 HG1 THR A 92 4.786 -4.319 -17.471 1.00 0.00 H new ATOM 0 HG21 THR A 92 5.457 -2.183 -16.636 1.00 0.00 H new ATOM 0 HG22 THR A 92 5.360 -0.808 -17.762 1.00 0.00 H new ATOM 0 HG23 THR A 92 3.870 -1.539 -17.121 1.00 0.00 H new ATOM 1393 N GLY A 93 2.816 -3.139 -21.617 1.00 0.00 N ATOM 1394 CA GLY A 93 2.599 -4.094 -22.688 1.00 0.00 C ATOM 1395 C GLY A 93 3.564 -3.901 -23.841 1.00 0.00 C ATOM 1396 O GLY A 93 3.548 -2.865 -24.505 1.00 0.00 O ATOM 0 H GLY A 93 2.053 -2.477 -21.471 1.00 0.00 H new ATOM 0 HA2 GLY A 93 2.704 -5.105 -22.296 1.00 0.00 H new ATOM 0 HA3 GLY A 93 1.577 -3.999 -23.054 1.00 0.00 H new ATOM 1400 N GLN A 94 4.407 -4.900 -24.078 1.00 0.00 N ATOM 1401 CA GLN A 94 5.386 -4.834 -25.157 1.00 0.00 C ATOM 1402 C GLN A 94 4.696 -4.672 -26.508 1.00 0.00 C ATOM 1403 O GLN A 94 3.499 -4.931 -26.641 1.00 0.00 O ATOM 1404 CB GLN A 94 6.256 -6.091 -25.163 1.00 0.00 C ATOM 1405 CG GLN A 94 5.545 -7.321 -25.704 1.00 0.00 C ATOM 1406 CD GLN A 94 5.624 -7.424 -27.214 1.00 0.00 C ATOM 1407 OE1 GLN A 94 4.762 -6.912 -27.929 1.00 0.00 O ATOM 1408 NE2 GLN A 94 6.662 -8.089 -27.709 1.00 0.00 N ATOM 0 H GLN A 94 4.432 -5.765 -23.538 1.00 0.00 H new ATOM 0 HA GLN A 94 6.020 -3.964 -24.986 1.00 0.00 H new ATOM 0 HB2 GLN A 94 7.147 -5.903 -25.763 1.00 0.00 H new ATOM 0 HB3 GLN A 94 6.593 -6.294 -24.147 1.00 0.00 H new ATOM 0 HG2 GLN A 94 5.984 -8.214 -25.259 1.00 0.00 H new ATOM 0 HG3 GLN A 94 4.499 -7.294 -25.400 1.00 0.00 H new ATOM 0 HE21 GLN A 94 7.353 -8.497 -27.080 1.00 0.00 H new ATOM 0 HE22 GLN A 94 6.768 -8.191 -28.718 1.00 0.00 H new TER 1417 GLN A 94