USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 426 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 Single : A 1 LYS N :NH3+ -177:sc= -1.16 (180deg=-1.22) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.141) USER MOD Single : A 13 THR OG1 : rot -160:sc= -0.169 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -123:sc= 1.6 (180deg=0.733) USER MOD Single : A 23 ASN :FLIP amide:sc= -9.11! C(o=-10!,f=-9.1!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 89:sc= 1.23 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 ASN :FLIP amide:sc= 1.02 F(o=-0.3,f=1) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= -0.331 X(o=-0.33,f=-0.29) USER MOD Single : A 41 GLN :FLIP amide:sc= -0.72 F(o=-1.5,f=-0.72) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 168:sc= -0.0157 (180deg=-0.263) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -18.991 10.324 -0.633 1.00 0.00 N ATOM 2 CA LYS A 1 -17.912 9.980 0.340 1.00 0.00 C ATOM 3 C LYS A 1 -17.202 8.728 -0.145 1.00 0.00 C ATOM 4 O LYS A 1 -16.725 7.921 0.654 1.00 0.00 O ATOM 5 CB LYS A 1 -18.521 9.718 1.719 1.00 0.00 C ATOM 6 CG LYS A 1 -19.429 10.881 2.137 1.00 0.00 C ATOM 7 CD LYS A 1 -18.604 12.155 2.346 1.00 0.00 C ATOM 8 CE LYS A 1 -19.448 13.188 3.102 1.00 0.00 C ATOM 9 NZ LYS A 1 -18.611 14.378 3.425 1.00 0.00 N ATOM 0 H1 LYS A 1 -19.453 11.209 -0.341 1.00 0.00 H new ATOM 0 H2 LYS A 1 -18.579 10.445 -1.580 1.00 0.00 H new ATOM 0 H3 LYS A 1 -19.694 9.558 -0.657 1.00 0.00 H new ATOM 0 HA LYS A 1 -17.206 10.807 0.415 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -19.094 8.791 1.699 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -17.727 9.587 2.454 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -20.187 11.052 1.372 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -19.956 10.627 3.057 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -17.698 11.927 2.908 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -18.289 12.560 1.384 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -20.304 13.486 2.497 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -19.843 12.749 4.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -19.185 15.077 3.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -17.808 14.087 4.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -18.255 14.801 2.544 1.00 0.00 H new ATOM 25 N ASP A 2 -17.126 8.575 -1.458 1.00 0.00 N ATOM 26 CA ASP A 2 -16.460 7.421 -2.038 1.00 0.00 C ATOM 27 C ASP A 2 -14.983 7.466 -1.668 1.00 0.00 C ATOM 28 O ASP A 2 -14.227 6.535 -1.942 1.00 0.00 O ATOM 29 CB ASP A 2 -16.627 7.431 -3.561 1.00 0.00 C ATOM 30 CG ASP A 2 -16.147 6.108 -4.153 1.00 0.00 C ATOM 31 OD1 ASP A 2 -15.607 5.308 -3.408 1.00 0.00 O ATOM 32 OD2 ASP A 2 -16.329 5.916 -5.344 1.00 0.00 O ATOM 0 H ASP A 2 -17.514 9.230 -2.137 1.00 0.00 H new ATOM 0 HA ASP A 2 -16.904 6.505 -1.649 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -17.674 7.594 -3.818 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -16.060 8.257 -3.991 1.00 0.00 H new ATOM 37 N ILE A 3 -14.591 8.569 -1.033 1.00 0.00 N ATOM 38 CA ILE A 3 -13.212 8.763 -0.605 1.00 0.00 C ATOM 39 C ILE A 3 -12.781 7.656 0.350 1.00 0.00 C ATOM 40 O ILE A 3 -11.642 7.631 0.816 1.00 0.00 O ATOM 41 CB ILE A 3 -13.068 10.127 0.086 1.00 0.00 C ATOM 42 CG1 ILE A 3 -13.835 10.139 1.441 1.00 0.00 C ATOM 43 CG2 ILE A 3 -13.633 11.207 -0.842 1.00 0.00 C ATOM 44 CD1 ILE A 3 -12.862 9.928 2.615 1.00 0.00 C ATOM 0 H ILE A 3 -15.214 9.344 -0.804 1.00 0.00 H new ATOM 0 HA ILE A 3 -12.571 8.731 -1.486 1.00 0.00 H new ATOM 0 HB ILE A 3 -12.015 10.320 0.290 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -14.358 11.088 1.561 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -14.592 9.355 1.444 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -13.538 12.183 -0.365 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -13.079 11.206 -1.781 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -14.685 11.002 -1.041 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -13.416 9.939 3.553 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -12.359 8.968 2.502 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -12.121 10.727 2.622 1.00 0.00 H new ATOM 56 N ASP A 4 -13.699 6.744 0.639 1.00 0.00 N ATOM 57 CA ASP A 4 -13.408 5.648 1.548 1.00 0.00 C ATOM 58 C ASP A 4 -12.173 4.892 1.086 1.00 0.00 C ATOM 59 O ASP A 4 -11.348 4.478 1.902 1.00 0.00 O ATOM 60 CB ASP A 4 -14.603 4.697 1.598 1.00 0.00 C ATOM 61 CG ASP A 4 -14.274 3.483 2.460 1.00 0.00 C ATOM 62 OD1 ASP A 4 -13.261 3.519 3.137 1.00 0.00 O ATOM 63 OD2 ASP A 4 -15.042 2.536 2.430 1.00 0.00 O ATOM 0 H ASP A 4 -14.646 6.742 0.259 1.00 0.00 H new ATOM 0 HA ASP A 4 -13.220 6.053 2.542 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -15.472 5.215 2.003 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -14.864 4.376 0.590 1.00 0.00 H new ATOM 68 N GLY A 5 -12.049 4.716 -0.217 1.00 0.00 N ATOM 69 CA GLY A 5 -10.907 4.008 -0.760 1.00 0.00 C ATOM 70 C GLY A 5 -11.037 2.528 -0.495 1.00 0.00 C ATOM 71 O GLY A 5 -10.529 2.018 0.504 1.00 0.00 O ATOM 0 H GLY A 5 -12.718 5.050 -0.911 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -10.835 4.188 -1.833 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -9.988 4.386 -0.311 1.00 0.00 H new ATOM 75 N ARG A 6 -11.744 1.844 -1.378 1.00 0.00 N ATOM 76 CA ARG A 6 -11.977 0.415 -1.225 1.00 0.00 C ATOM 77 C ARG A 6 -11.634 -0.361 -2.493 1.00 0.00 C ATOM 78 O ARG A 6 -12.338 -1.300 -2.866 1.00 0.00 O ATOM 79 CB ARG A 6 -13.440 0.191 -0.835 1.00 0.00 C ATOM 80 CG ARG A 6 -14.371 1.100 -1.664 1.00 0.00 C ATOM 81 CD ARG A 6 -14.440 0.612 -3.116 1.00 0.00 C ATOM 82 NE ARG A 6 -15.602 1.188 -3.784 1.00 0.00 N ATOM 83 CZ ARG A 6 -15.820 0.986 -5.080 1.00 0.00 C ATOM 84 NH1 ARG A 6 -15.010 0.234 -5.775 1.00 0.00 N ATOM 85 NH2 ARG A 6 -16.848 1.539 -5.658 1.00 0.00 N ATOM 0 H ARG A 6 -12.168 2.254 -2.210 1.00 0.00 H new ATOM 0 HA ARG A 6 -11.320 0.039 -0.441 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -13.708 -0.854 -0.994 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -13.574 0.397 0.227 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -15.370 1.104 -1.227 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -14.007 2.127 -1.636 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -13.530 0.893 -3.646 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -14.500 -0.476 -3.140 1.00 0.00 H new ATOM 0 HE ARG A 6 -16.258 1.755 -3.248 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -14.206 -0.202 -5.324 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -15.182 0.082 -6.769 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -17.483 2.125 -5.117 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -17.018 1.386 -6.652 1.00 0.00 H new ATOM 99 N LYS A 7 -10.535 0.021 -3.147 1.00 0.00 N ATOM 100 CA LYS A 7 -10.083 -0.653 -4.364 1.00 0.00 C ATOM 101 C LYS A 7 -8.583 -0.955 -4.292 1.00 0.00 C ATOM 102 O LYS A 7 -7.783 -0.319 -4.975 1.00 0.00 O ATOM 103 CB LYS A 7 -10.357 0.240 -5.566 1.00 0.00 C ATOM 104 CG LYS A 7 -9.942 -0.467 -6.867 1.00 0.00 C ATOM 105 CD LYS A 7 -10.694 0.154 -8.053 1.00 0.00 C ATOM 106 CE LYS A 7 -9.962 -0.177 -9.353 1.00 0.00 C ATOM 107 NZ LYS A 7 -9.933 -1.655 -9.544 1.00 0.00 N ATOM 0 H LYS A 7 -9.941 0.796 -2.852 1.00 0.00 H new ATOM 0 HA LYS A 7 -10.625 -1.593 -4.463 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -11.417 0.493 -5.605 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -9.809 1.177 -5.463 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -8.866 -0.374 -7.016 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -10.163 -1.532 -6.801 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -11.714 -0.228 -8.090 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -10.763 1.235 -7.927 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -10.462 0.300 -10.196 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -8.946 0.216 -9.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -9.622 -1.874 -10.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -9.271 -2.080 -8.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -10.885 -2.044 -9.390 1.00 0.00 H new ATOM 121 N PRO A 8 -8.196 -1.914 -3.498 1.00 0.00 N ATOM 122 CA PRO A 8 -6.765 -2.321 -3.357 1.00 0.00 C ATOM 123 C PRO A 8 -6.264 -3.003 -4.634 1.00 0.00 C ATOM 124 O PRO A 8 -7.051 -3.591 -5.376 1.00 0.00 O ATOM 125 CB PRO A 8 -6.765 -3.305 -2.161 1.00 0.00 C ATOM 126 CG PRO A 8 -8.130 -3.205 -1.544 1.00 0.00 C ATOM 127 CD PRO A 8 -9.069 -2.712 -2.643 1.00 0.00 C ATOM 0 HA PRO A 8 -6.102 -1.471 -3.193 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -6.560 -4.323 -2.493 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -5.991 -3.043 -1.440 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -8.455 -4.173 -1.162 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -8.125 -2.515 -0.700 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -9.519 -3.541 -3.189 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -9.887 -2.117 -2.236 1.00 0.00 H new ATOM 135 N LEU A 9 -4.957 -2.929 -4.882 1.00 0.00 N ATOM 136 CA LEU A 9 -4.369 -3.554 -6.072 1.00 0.00 C ATOM 137 C LEU A 9 -3.170 -4.407 -5.660 1.00 0.00 C ATOM 138 O LEU A 9 -2.179 -3.884 -5.158 1.00 0.00 O ATOM 139 CB LEU A 9 -3.918 -2.460 -7.053 1.00 0.00 C ATOM 140 CG LEU A 9 -3.785 -3.034 -8.473 1.00 0.00 C ATOM 141 CD1 LEU A 9 -3.403 -1.909 -9.440 1.00 0.00 C ATOM 142 CD2 LEU A 9 -2.704 -4.127 -8.507 1.00 0.00 C ATOM 0 H LEU A 9 -4.288 -2.447 -4.282 1.00 0.00 H new ATOM 0 HA LEU A 9 -5.111 -4.189 -6.557 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.638 -1.642 -7.051 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -2.963 -2.045 -6.731 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.738 -3.471 -8.771 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.308 -2.312 -10.448 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.176 -1.141 -9.428 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.453 -1.472 -9.133 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.620 -4.525 -9.518 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -1.747 -3.702 -8.204 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -2.977 -4.930 -7.823 1.00 0.00 H new ATOM 154 N LEU A 10 -3.259 -5.716 -5.888 1.00 0.00 N ATOM 155 CA LEU A 10 -2.165 -6.626 -5.538 1.00 0.00 C ATOM 156 C LEU A 10 -1.207 -6.733 -6.721 1.00 0.00 C ATOM 157 O LEU A 10 -1.621 -7.045 -7.837 1.00 0.00 O ATOM 158 CB LEU A 10 -2.742 -8.001 -5.182 1.00 0.00 C ATOM 159 CG LEU A 10 -1.673 -8.883 -4.516 1.00 0.00 C ATOM 160 CD1 LEU A 10 -2.355 -10.098 -3.877 1.00 0.00 C ATOM 161 CD2 LEU A 10 -0.627 -9.354 -5.542 1.00 0.00 C ATOM 0 H LEU A 10 -4.069 -6.170 -6.310 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.619 -6.244 -4.675 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -3.592 -7.881 -4.510 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.114 -8.489 -6.083 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.159 -8.297 -3.754 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -1.604 -10.729 -3.402 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.072 -9.761 -3.128 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.875 -10.669 -4.646 1.00 0.00 H new ATOM 0 HD21 LEU A 10 0.117 -9.976 -5.044 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.119 -9.933 -6.324 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -0.137 -8.487 -5.986 1.00 0.00 H new ATOM 173 N ILE A 11 0.074 -6.449 -6.472 1.00 0.00 N ATOM 174 CA ILE A 11 1.086 -6.495 -7.531 1.00 0.00 C ATOM 175 C ILE A 11 1.919 -7.767 -7.430 1.00 0.00 C ATOM 176 O ILE A 11 2.146 -8.454 -8.428 1.00 0.00 O ATOM 177 CB ILE A 11 1.991 -5.253 -7.428 1.00 0.00 C ATOM 178 CG1 ILE A 11 2.233 -4.902 -5.957 1.00 0.00 C ATOM 179 CG2 ILE A 11 1.323 -4.057 -8.106 1.00 0.00 C ATOM 180 CD1 ILE A 11 3.293 -3.792 -5.834 1.00 0.00 C ATOM 0 H ILE A 11 0.433 -6.187 -5.554 1.00 0.00 H new ATOM 0 HA ILE A 11 0.584 -6.498 -8.499 1.00 0.00 H new ATOM 0 HB ILE A 11 2.938 -5.477 -7.920 1.00 0.00 H new ATOM 0 HG12 ILE A 11 1.301 -4.575 -5.497 1.00 0.00 H new ATOM 0 HG13 ILE A 11 2.562 -5.789 -5.415 1.00 0.00 H new ATOM 0 HG21 ILE A 11 1.972 -3.185 -8.027 1.00 0.00 H new ATOM 0 HG22 ILE A 11 1.149 -4.285 -9.157 1.00 0.00 H new ATOM 0 HG23 ILE A 11 0.371 -3.847 -7.618 1.00 0.00 H new ATOM 0 HD11 ILE A 11 3.452 -3.556 -4.782 1.00 0.00 H new ATOM 0 HD12 ILE A 11 4.230 -4.133 -6.275 1.00 0.00 H new ATOM 0 HD13 ILE A 11 2.949 -2.900 -6.358 1.00 0.00 H new ATOM 192 N GLY A 12 2.371 -8.076 -6.224 1.00 0.00 N ATOM 193 CA GLY A 12 3.176 -9.266 -6.009 1.00 0.00 C ATOM 194 C GLY A 12 3.252 -9.612 -4.532 1.00 0.00 C ATOM 195 O GLY A 12 2.263 -9.533 -3.806 1.00 0.00 O ATOM 0 H GLY A 12 2.195 -7.523 -5.385 1.00 0.00 H new ATOM 0 HA2 GLY A 12 2.748 -10.103 -6.561 1.00 0.00 H new ATOM 0 HA3 GLY A 12 4.180 -9.106 -6.401 1.00 0.00 H new ATOM 199 N THR A 13 4.447 -9.997 -4.104 1.00 0.00 N ATOM 200 CA THR A 13 4.693 -10.366 -2.711 1.00 0.00 C ATOM 201 C THR A 13 5.996 -9.751 -2.226 1.00 0.00 C ATOM 202 O THR A 13 6.860 -9.392 -3.024 1.00 0.00 O ATOM 203 CB THR A 13 4.773 -11.887 -2.585 1.00 0.00 C ATOM 204 OG1 THR A 13 5.866 -12.367 -3.356 1.00 0.00 O ATOM 205 CG2 THR A 13 3.476 -12.516 -3.089 1.00 0.00 C ATOM 0 H THR A 13 5.269 -10.063 -4.705 1.00 0.00 H new ATOM 0 HA THR A 13 3.872 -9.991 -2.100 1.00 0.00 H new ATOM 0 HB THR A 13 4.918 -12.156 -1.539 1.00 0.00 H new ATOM 0 HG1 THR A 13 5.742 -13.321 -3.541 1.00 0.00 H new ATOM 0 HG21 THR A 13 3.538 -13.600 -2.997 1.00 0.00 H new ATOM 0 HG22 THR A 13 2.639 -12.149 -2.495 1.00 0.00 H new ATOM 0 HG23 THR A 13 3.324 -12.249 -4.135 1.00 0.00 H new ATOM 213 N CYS A 14 6.137 -9.642 -0.913 1.00 0.00 N ATOM 214 CA CYS A 14 7.351 -9.076 -0.340 1.00 0.00 C ATOM 215 C CYS A 14 8.579 -9.808 -0.885 1.00 0.00 C ATOM 216 O CYS A 14 9.709 -9.352 -0.712 1.00 0.00 O ATOM 217 CB CYS A 14 7.301 -9.176 1.203 1.00 0.00 C ATOM 218 SG CYS A 14 6.966 -7.543 1.924 1.00 0.00 S ATOM 0 H CYS A 14 5.436 -9.933 -0.231 1.00 0.00 H new ATOM 0 HA CYS A 14 7.422 -8.025 -0.620 1.00 0.00 H new ATOM 0 HB2 CYS A 14 6.526 -9.881 1.505 1.00 0.00 H new ATOM 0 HB3 CYS A 14 8.248 -9.562 1.581 1.00 0.00 H new ATOM 223 N ILE A 15 8.353 -10.942 -1.544 1.00 0.00 N ATOM 224 CA ILE A 15 9.452 -11.710 -2.099 1.00 0.00 C ATOM 225 C ILE A 15 10.041 -10.998 -3.302 1.00 0.00 C ATOM 226 O ILE A 15 11.258 -10.921 -3.468 1.00 0.00 O ATOM 227 CB ILE A 15 8.972 -13.104 -2.493 1.00 0.00 C ATOM 228 CG1 ILE A 15 8.398 -13.795 -1.252 1.00 0.00 C ATOM 229 CG2 ILE A 15 10.150 -13.915 -3.038 1.00 0.00 C ATOM 230 CD1 ILE A 15 7.680 -15.081 -1.661 1.00 0.00 C ATOM 0 H ILE A 15 7.428 -11.342 -1.703 1.00 0.00 H new ATOM 0 HA ILE A 15 10.228 -11.807 -1.340 1.00 0.00 H new ATOM 0 HB ILE A 15 8.204 -13.031 -3.263 1.00 0.00 H new ATOM 0 HG12 ILE A 15 9.199 -14.023 -0.548 1.00 0.00 H new ATOM 0 HG13 ILE A 15 7.705 -13.127 -0.741 1.00 0.00 H new ATOM 0 HG21 ILE A 15 9.807 -14.911 -3.319 1.00 0.00 H new ATOM 0 HG22 ILE A 15 10.564 -13.413 -3.913 1.00 0.00 H new ATOM 0 HG23 ILE A 15 10.919 -14.000 -2.271 1.00 0.00 H new ATOM 0 HD11 ILE A 15 7.274 -15.568 -0.775 1.00 0.00 H new ATOM 0 HD12 ILE A 15 6.868 -14.842 -2.348 1.00 0.00 H new ATOM 0 HD13 ILE A 15 8.385 -15.751 -2.152 1.00 0.00 H new ATOM 242 N GLU A 16 9.156 -10.492 -4.149 1.00 0.00 N ATOM 243 CA GLU A 16 9.563 -9.794 -5.357 1.00 0.00 C ATOM 244 C GLU A 16 9.475 -8.278 -5.173 1.00 0.00 C ATOM 245 O GLU A 16 10.285 -7.534 -5.723 1.00 0.00 O ATOM 246 CB GLU A 16 8.669 -10.252 -6.505 1.00 0.00 C ATOM 247 CG GLU A 16 7.211 -10.337 -6.035 1.00 0.00 C ATOM 248 CD GLU A 16 6.274 -10.344 -7.243 1.00 0.00 C ATOM 249 OE1 GLU A 16 6.583 -9.671 -8.212 1.00 0.00 O ATOM 250 OE2 GLU A 16 5.263 -11.022 -7.179 1.00 0.00 O ATOM 0 H GLU A 16 8.146 -10.553 -4.019 1.00 0.00 H new ATOM 0 HA GLU A 16 10.603 -10.031 -5.581 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.750 -9.556 -7.340 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.000 -11.225 -6.868 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.063 -11.240 -5.444 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.978 -9.491 -5.388 1.00 0.00 H new ATOM 257 N PHE A 17 8.486 -7.827 -4.396 1.00 0.00 N ATOM 258 CA PHE A 17 8.301 -6.394 -4.134 1.00 0.00 C ATOM 259 C PHE A 17 8.484 -6.108 -2.641 1.00 0.00 C ATOM 260 O PHE A 17 7.510 -6.068 -1.889 1.00 0.00 O ATOM 261 CB PHE A 17 6.898 -5.946 -4.591 1.00 0.00 C ATOM 262 CG PHE A 17 6.921 -5.637 -6.077 1.00 0.00 C ATOM 263 CD1 PHE A 17 7.245 -6.644 -6.990 1.00 0.00 C ATOM 264 CD2 PHE A 17 6.640 -4.343 -6.538 1.00 0.00 C ATOM 265 CE1 PHE A 17 7.293 -6.369 -8.355 1.00 0.00 C ATOM 266 CE2 PHE A 17 6.686 -4.065 -7.909 1.00 0.00 C ATOM 267 CZ PHE A 17 7.013 -5.079 -8.819 1.00 0.00 C ATOM 0 H PHE A 17 7.802 -8.430 -3.938 1.00 0.00 H new ATOM 0 HA PHE A 17 9.048 -5.834 -4.696 1.00 0.00 H new ATOM 0 HB2 PHE A 17 6.169 -6.730 -4.384 1.00 0.00 H new ATOM 0 HB3 PHE A 17 6.586 -5.065 -4.031 1.00 0.00 H new ATOM 0 HD1 PHE A 17 7.459 -7.641 -6.635 1.00 0.00 H new ATOM 0 HD2 PHE A 17 6.388 -3.562 -5.836 1.00 0.00 H new ATOM 0 HE1 PHE A 17 7.546 -7.152 -9.055 1.00 0.00 H new ATOM 0 HE2 PHE A 17 6.469 -3.069 -8.265 1.00 0.00 H new ATOM 0 HZ PHE A 17 7.049 -4.865 -9.877 1.00 0.00 H new ATOM 277 N PRO A 18 9.708 -5.914 -2.199 1.00 0.00 N ATOM 278 CA PRO A 18 10.007 -5.637 -0.762 1.00 0.00 C ATOM 279 C PRO A 18 9.118 -4.521 -0.209 1.00 0.00 C ATOM 280 O PRO A 18 8.262 -4.004 -0.916 1.00 0.00 O ATOM 281 CB PRO A 18 11.490 -5.243 -0.762 1.00 0.00 C ATOM 282 CG PRO A 18 12.067 -5.886 -1.984 1.00 0.00 C ATOM 283 CD PRO A 18 10.937 -5.933 -3.016 1.00 0.00 C ATOM 0 HA PRO A 18 9.809 -6.494 -0.119 1.00 0.00 H new ATOM 0 HB2 PRO A 18 11.610 -4.160 -0.793 1.00 0.00 H new ATOM 0 HB3 PRO A 18 11.990 -5.593 0.141 1.00 0.00 H new ATOM 0 HG2 PRO A 18 12.915 -5.314 -2.361 1.00 0.00 H new ATOM 0 HG3 PRO A 18 12.432 -6.888 -1.761 1.00 0.00 H new ATOM 0 HD2 PRO A 18 10.979 -5.080 -3.694 1.00 0.00 H new ATOM 0 HD3 PRO A 18 10.994 -6.832 -3.630 1.00 0.00 H new ATOM 291 N THR A 19 9.312 -4.166 1.056 1.00 0.00 N ATOM 292 CA THR A 19 8.490 -3.127 1.672 1.00 0.00 C ATOM 293 C THR A 19 8.610 -1.801 0.921 1.00 0.00 C ATOM 294 O THR A 19 7.603 -1.194 0.558 1.00 0.00 O ATOM 295 CB THR A 19 8.925 -2.929 3.127 1.00 0.00 C ATOM 296 OG1 THR A 19 8.724 -4.138 3.848 1.00 0.00 O ATOM 297 CG2 THR A 19 8.102 -1.809 3.767 1.00 0.00 C ATOM 0 H THR A 19 10.019 -4.574 1.668 1.00 0.00 H new ATOM 0 HA THR A 19 7.449 -3.448 1.630 1.00 0.00 H new ATOM 0 HB THR A 19 9.980 -2.658 3.154 1.00 0.00 H new ATOM 0 HG1 THR A 19 9.003 -4.014 4.779 1.00 0.00 H new ATOM 0 HG21 THR A 19 8.416 -1.673 4.802 1.00 0.00 H new ATOM 0 HG22 THR A 19 8.258 -0.882 3.215 1.00 0.00 H new ATOM 0 HG23 THR A 19 7.045 -2.073 3.740 1.00 0.00 H new ATOM 305 N GLU A 20 9.838 -1.360 0.695 1.00 0.00 N ATOM 306 CA GLU A 20 10.081 -0.103 -0.007 1.00 0.00 C ATOM 307 C GLU A 20 9.510 -0.118 -1.426 1.00 0.00 C ATOM 308 O GLU A 20 8.823 0.818 -1.834 1.00 0.00 O ATOM 309 CB GLU A 20 11.589 0.154 -0.071 1.00 0.00 C ATOM 310 CG GLU A 20 12.258 -0.947 -0.901 1.00 0.00 C ATOM 311 CD GLU A 20 13.748 -1.026 -0.573 1.00 0.00 C ATOM 312 OE1 GLU A 20 14.349 0.018 -0.385 1.00 0.00 O ATOM 313 OE2 GLU A 20 14.260 -2.131 -0.511 1.00 0.00 O ATOM 0 H GLU A 20 10.683 -1.851 0.986 1.00 0.00 H new ATOM 0 HA GLU A 20 9.578 0.691 0.545 1.00 0.00 H new ATOM 0 HB2 GLU A 20 11.784 1.130 -0.516 1.00 0.00 H new ATOM 0 HB3 GLU A 20 12.009 0.173 0.935 1.00 0.00 H new ATOM 0 HG2 GLU A 20 11.782 -1.906 -0.696 1.00 0.00 H new ATOM 0 HG3 GLU A 20 12.123 -0.744 -1.963 1.00 0.00 H new ATOM 320 N LYS A 21 9.825 -1.162 -2.188 1.00 0.00 N ATOM 321 CA LYS A 21 9.357 -1.246 -3.567 1.00 0.00 C ATOM 322 C LYS A 21 7.834 -1.355 -3.602 1.00 0.00 C ATOM 323 O LYS A 21 7.164 -0.679 -4.381 1.00 0.00 O ATOM 324 CB LYS A 21 9.995 -2.468 -4.267 1.00 0.00 C ATOM 325 CG LYS A 21 10.289 -2.146 -5.744 1.00 0.00 C ATOM 326 CD LYS A 21 11.087 -3.296 -6.395 1.00 0.00 C ATOM 327 CE LYS A 21 10.140 -4.397 -6.905 1.00 0.00 C ATOM 328 NZ LYS A 21 9.925 -4.221 -8.370 1.00 0.00 N ATOM 0 H LYS A 21 10.394 -1.950 -1.880 1.00 0.00 H new ATOM 0 HA LYS A 21 9.654 -0.340 -4.096 1.00 0.00 H new ATOM 0 HB2 LYS A 21 10.918 -2.746 -3.758 1.00 0.00 H new ATOM 0 HB3 LYS A 21 9.324 -3.324 -4.201 1.00 0.00 H new ATOM 0 HG2 LYS A 21 9.354 -1.993 -6.283 1.00 0.00 H new ATOM 0 HG3 LYS A 21 10.854 -1.217 -5.815 1.00 0.00 H new ATOM 0 HD2 LYS A 21 11.682 -2.909 -7.223 1.00 0.00 H new ATOM 0 HD3 LYS A 21 11.784 -3.717 -5.671 1.00 0.00 H new ATOM 0 HE2 LYS A 21 10.565 -5.380 -6.704 1.00 0.00 H new ATOM 0 HE3 LYS A 21 9.188 -4.347 -6.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 8.908 -4.122 -8.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 10.423 -3.368 -8.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 10.294 -5.051 -8.877 1.00 0.00 H new ATOM 342 N CYS A 22 7.311 -2.222 -2.752 1.00 0.00 N ATOM 343 CA CYS A 22 5.877 -2.451 -2.667 1.00 0.00 C ATOM 344 C CYS A 22 5.104 -1.139 -2.650 1.00 0.00 C ATOM 345 O CYS A 22 4.286 -0.872 -3.532 1.00 0.00 O ATOM 346 CB CYS A 22 5.573 -3.234 -1.393 1.00 0.00 C ATOM 347 SG CYS A 22 3.783 -3.434 -1.207 1.00 0.00 S ATOM 0 H CYS A 22 7.863 -2.784 -2.105 1.00 0.00 H new ATOM 0 HA CYS A 22 5.566 -3.015 -3.546 1.00 0.00 H new ATOM 0 HB2 CYS A 22 6.055 -4.211 -1.432 1.00 0.00 H new ATOM 0 HB3 CYS A 22 5.981 -2.711 -0.528 1.00 0.00 H new ATOM 352 N ASN A 23 5.359 -0.331 -1.631 1.00 0.00 N ATOM 353 CA ASN A 23 4.677 0.943 -1.496 1.00 0.00 C ATOM 354 C ASN A 23 5.042 1.870 -2.639 1.00 0.00 C ATOM 355 O ASN A 23 4.169 2.436 -3.280 1.00 0.00 O ATOM 356 CB ASN A 23 5.060 1.594 -0.167 1.00 0.00 C ATOM 357 CG ASN A 23 6.544 1.892 -0.159 1.00 0.00 C ATOM 358 OD1 ASN A 23 6.984 2.941 -0.783 1.00 0.00 O flip ATOM 359 ND2 ASN A 23 7.326 1.150 0.434 1.00 0.00 N flip ATOM 0 H ASN A 23 6.030 -0.535 -0.890 1.00 0.00 H new ATOM 0 HA ASN A 23 3.602 0.765 -1.521 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.493 2.514 -0.024 1.00 0.00 H new ATOM 0 HB3 ASN A 23 4.807 0.931 0.661 1.00 0.00 H new ATOM 0 HD21 ASN A 23 6.976 0.326 0.923 1.00 0.00 H new ATOM 0 HD22 ASN A 23 8.324 1.359 0.436 1.00 0.00 H new ATOM 366 N LYS A 24 6.331 2.010 -2.910 1.00 0.00 N ATOM 367 CA LYS A 24 6.769 2.881 -3.989 1.00 0.00 C ATOM 368 C LYS A 24 5.963 2.595 -5.241 1.00 0.00 C ATOM 369 O LYS A 24 5.541 3.504 -5.934 1.00 0.00 O ATOM 370 CB LYS A 24 8.257 2.652 -4.270 1.00 0.00 C ATOM 371 CG LYS A 24 9.117 3.517 -3.347 1.00 0.00 C ATOM 372 CD LYS A 24 10.593 3.196 -3.582 1.00 0.00 C ATOM 373 CE LYS A 24 11.462 4.081 -2.687 1.00 0.00 C ATOM 374 NZ LYS A 24 12.898 3.758 -2.918 1.00 0.00 N ATOM 0 H LYS A 24 7.082 1.539 -2.406 1.00 0.00 H new ATOM 0 HA LYS A 24 6.615 3.919 -3.693 1.00 0.00 H new ATOM 0 HB2 LYS A 24 8.503 1.600 -4.125 1.00 0.00 H new ATOM 0 HB3 LYS A 24 8.477 2.890 -5.311 1.00 0.00 H new ATOM 0 HG2 LYS A 24 8.928 4.573 -3.539 1.00 0.00 H new ATOM 0 HG3 LYS A 24 8.854 3.330 -2.306 1.00 0.00 H new ATOM 0 HD2 LYS A 24 10.785 2.145 -3.367 1.00 0.00 H new ATOM 0 HD3 LYS A 24 10.848 3.359 -4.629 1.00 0.00 H new ATOM 0 HE2 LYS A 24 11.275 5.133 -2.904 1.00 0.00 H new ATOM 0 HE3 LYS A 24 11.206 3.921 -1.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 13.491 4.359 -2.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 13.070 2.758 -2.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 13.137 3.932 -3.915 1.00 0.00 H new ATOM 388 N THR A 25 5.744 1.333 -5.522 1.00 0.00 N ATOM 389 CA THR A 25 4.991 0.975 -6.704 1.00 0.00 C ATOM 390 C THR A 25 3.572 1.529 -6.629 1.00 0.00 C ATOM 391 O THR A 25 3.051 2.051 -7.615 1.00 0.00 O ATOM 392 CB THR A 25 4.939 -0.539 -6.861 1.00 0.00 C ATOM 393 OG1 THR A 25 6.249 -1.081 -6.741 1.00 0.00 O ATOM 394 CG2 THR A 25 4.354 -0.885 -8.234 1.00 0.00 C ATOM 0 H THR A 25 6.070 0.547 -4.960 1.00 0.00 H new ATOM 0 HA THR A 25 5.494 1.409 -7.568 1.00 0.00 H new ATOM 0 HB THR A 25 4.308 -0.965 -6.081 1.00 0.00 H new ATOM 0 HG1 THR A 25 6.433 -1.287 -5.801 1.00 0.00 H new ATOM 0 HG21 THR A 25 4.315 -1.968 -8.350 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.347 -0.475 -8.314 1.00 0.00 H new ATOM 0 HG23 THR A 25 4.983 -0.458 -9.015 1.00 0.00 H new ATOM 402 N CYS A 26 2.958 1.423 -5.457 1.00 0.00 N ATOM 403 CA CYS A 26 1.601 1.935 -5.275 1.00 0.00 C ATOM 404 C CYS A 26 1.613 3.448 -5.421 1.00 0.00 C ATOM 405 O CYS A 26 0.676 4.054 -5.925 1.00 0.00 O ATOM 406 CB CYS A 26 1.098 1.555 -3.876 1.00 0.00 C ATOM 407 SG CYS A 26 -0.430 2.457 -3.455 1.00 0.00 S ATOM 0 H CYS A 26 3.369 0.994 -4.628 1.00 0.00 H new ATOM 0 HA CYS A 26 0.940 1.503 -6.026 1.00 0.00 H new ATOM 0 HB2 CYS A 26 0.913 0.482 -3.833 1.00 0.00 H new ATOM 0 HB3 CYS A 26 1.869 1.776 -3.137 1.00 0.00 H new ATOM 412 N ILE A 27 2.704 4.042 -4.979 1.00 0.00 N ATOM 413 CA ILE A 27 2.875 5.481 -5.039 1.00 0.00 C ATOM 414 C ILE A 27 2.953 5.941 -6.480 1.00 0.00 C ATOM 415 O ILE A 27 2.388 6.970 -6.854 1.00 0.00 O ATOM 416 CB ILE A 27 4.145 5.874 -4.271 1.00 0.00 C ATOM 417 CG1 ILE A 27 4.068 5.294 -2.834 1.00 0.00 C ATOM 418 CG2 ILE A 27 4.281 7.403 -4.247 1.00 0.00 C ATOM 419 CD1 ILE A 27 3.567 6.331 -1.829 1.00 0.00 C ATOM 0 H ILE A 27 3.494 3.544 -4.570 1.00 0.00 H new ATOM 0 HA ILE A 27 2.017 5.969 -4.577 1.00 0.00 H new ATOM 0 HB ILE A 27 5.026 5.465 -4.765 1.00 0.00 H new ATOM 0 HG12 ILE A 27 3.404 4.430 -2.826 1.00 0.00 H new ATOM 0 HG13 ILE A 27 5.054 4.941 -2.531 1.00 0.00 H new ATOM 0 HG21 ILE A 27 5.183 7.680 -3.701 1.00 0.00 H new ATOM 0 HG22 ILE A 27 4.345 7.779 -5.268 1.00 0.00 H new ATOM 0 HG23 ILE A 27 3.411 7.838 -3.754 1.00 0.00 H new ATOM 0 HD11 ILE A 27 3.528 5.885 -0.835 1.00 0.00 H new ATOM 0 HD12 ILE A 27 4.246 7.184 -1.817 1.00 0.00 H new ATOM 0 HD13 ILE A 27 2.570 6.665 -2.117 1.00 0.00 H new ATOM 431 N GLU A 28 3.669 5.170 -7.277 1.00 0.00 N ATOM 432 CA GLU A 28 3.841 5.489 -8.679 1.00 0.00 C ATOM 433 C GLU A 28 2.508 5.432 -9.405 1.00 0.00 C ATOM 434 O GLU A 28 2.253 6.204 -10.329 1.00 0.00 O ATOM 435 CB GLU A 28 4.811 4.493 -9.312 1.00 0.00 C ATOM 436 CG GLU A 28 6.191 4.626 -8.654 1.00 0.00 C ATOM 437 CD GLU A 28 6.976 5.785 -9.263 1.00 0.00 C ATOM 438 OE1 GLU A 28 6.662 6.182 -10.373 1.00 0.00 O ATOM 439 OE2 GLU A 28 7.888 6.262 -8.605 1.00 0.00 O ATOM 0 H GLU A 28 4.141 4.317 -6.975 1.00 0.00 H new ATOM 0 HA GLU A 28 4.242 6.499 -8.763 1.00 0.00 H new ATOM 0 HB2 GLU A 28 4.435 3.477 -9.190 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.889 4.677 -10.383 1.00 0.00 H new ATOM 0 HG2 GLU A 28 6.073 4.785 -7.582 1.00 0.00 H new ATOM 0 HG3 GLU A 28 6.749 3.698 -8.779 1.00 0.00 H new ATOM 446 N SER A 29 1.662 4.512 -8.970 1.00 0.00 N ATOM 447 CA SER A 29 0.348 4.347 -9.570 1.00 0.00 C ATOM 448 C SER A 29 -0.520 5.561 -9.265 1.00 0.00 C ATOM 449 O SER A 29 -1.674 5.630 -9.680 1.00 0.00 O ATOM 450 CB SER A 29 -0.317 3.085 -9.025 1.00 0.00 C ATOM 451 OG SER A 29 0.322 1.941 -9.579 1.00 0.00 O ATOM 0 H SER A 29 1.862 3.869 -8.204 1.00 0.00 H new ATOM 0 HA SER A 29 0.461 4.253 -10.650 1.00 0.00 H new ATOM 0 HB2 SER A 29 -0.247 3.064 -7.937 1.00 0.00 H new ATOM 0 HB3 SER A 29 -1.378 3.081 -9.277 1.00 0.00 H new ATOM 0 HG SER A 29 -0.101 1.129 -9.230 1.00 0.00 H new ATOM 457 N ASN A 30 0.056 6.511 -8.533 1.00 0.00 N ATOM 458 CA ASN A 30 -0.651 7.733 -8.159 1.00 0.00 C ATOM 459 C ASN A 30 -1.555 7.480 -6.955 1.00 0.00 C ATOM 460 O ASN A 30 -2.435 8.284 -6.650 1.00 0.00 O ATOM 461 CB ASN A 30 -1.487 8.254 -9.347 1.00 0.00 C ATOM 462 CG ASN A 30 -1.669 9.770 -9.258 1.00 0.00 C ATOM 463 OD1 ASN A 30 -1.069 10.540 -10.124 1.00 0.00 O flip ATOM 464 ND2 ASN A 30 -2.380 10.261 -8.380 1.00 0.00 N flip ATOM 0 H ASN A 30 1.014 6.458 -8.186 1.00 0.00 H new ATOM 0 HA ASN A 30 0.087 8.488 -7.889 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -0.995 7.997 -10.285 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -2.462 7.766 -9.354 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -2.847 9.656 -7.705 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -2.501 11.272 -8.328 1.00 0.00 H new ATOM 471 N PHE A 31 -1.341 6.352 -6.268 1.00 0.00 N ATOM 472 CA PHE A 31 -2.151 6.010 -5.107 1.00 0.00 C ATOM 473 C PHE A 31 -1.458 6.474 -3.821 1.00 0.00 C ATOM 474 O PHE A 31 -0.498 7.245 -3.865 1.00 0.00 O ATOM 475 CB PHE A 31 -2.374 4.498 -5.081 1.00 0.00 C ATOM 476 CG PHE A 31 -3.527 4.097 -5.988 1.00 0.00 C ATOM 477 CD1 PHE A 31 -3.628 4.612 -7.292 1.00 0.00 C ATOM 478 CD2 PHE A 31 -4.492 3.193 -5.525 1.00 0.00 C ATOM 479 CE1 PHE A 31 -4.691 4.226 -8.119 1.00 0.00 C ATOM 480 CE2 PHE A 31 -5.554 2.808 -6.352 1.00 0.00 C ATOM 481 CZ PHE A 31 -5.654 3.324 -7.649 1.00 0.00 C ATOM 0 H PHE A 31 -0.619 5.670 -6.498 1.00 0.00 H new ATOM 0 HA PHE A 31 -3.115 6.515 -5.173 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.464 3.988 -5.398 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -2.581 4.176 -4.061 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -2.885 5.306 -7.657 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -4.416 2.791 -4.525 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -4.768 4.624 -9.120 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -6.296 2.113 -5.989 1.00 0.00 H new ATOM 0 HZ PHE A 31 -6.473 3.027 -8.287 1.00 0.00 H new ATOM 491 N ALA A 32 -1.965 6.017 -2.681 1.00 0.00 N ATOM 492 CA ALA A 32 -1.405 6.412 -1.383 1.00 0.00 C ATOM 493 C ALA A 32 -0.101 5.685 -1.068 1.00 0.00 C ATOM 494 O ALA A 32 0.899 6.305 -0.705 1.00 0.00 O ATOM 495 CB ALA A 32 -2.419 6.138 -0.273 1.00 0.00 C ATOM 0 H ALA A 32 -2.757 5.377 -2.624 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.185 7.478 -1.439 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -1.996 6.434 0.687 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.328 6.710 -0.461 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -2.657 5.075 -0.252 1.00 0.00 H new ATOM 501 N GLY A 33 -0.137 4.367 -1.186 1.00 0.00 N ATOM 502 CA GLY A 33 1.021 3.537 -0.897 1.00 0.00 C ATOM 503 C GLY A 33 0.585 2.093 -0.717 1.00 0.00 C ATOM 504 O GLY A 33 -0.595 1.779 -0.846 1.00 0.00 O ATOM 0 H GLY A 33 -0.963 3.846 -1.482 1.00 0.00 H new ATOM 0 HA2 GLY A 33 1.744 3.610 -1.709 1.00 0.00 H new ATOM 0 HA3 GLY A 33 1.518 3.892 0.006 1.00 0.00 H new ATOM 508 N GLY A 34 1.534 1.211 -0.431 1.00 0.00 N ATOM 509 CA GLY A 34 1.218 -0.206 -0.258 1.00 0.00 C ATOM 510 C GLY A 34 2.057 -0.829 0.842 1.00 0.00 C ATOM 511 O GLY A 34 2.986 -0.215 1.355 1.00 0.00 O ATOM 0 H GLY A 34 2.520 1.445 -0.314 1.00 0.00 H new ATOM 0 HA2 GLY A 34 0.160 -0.318 -0.019 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.391 -0.736 -1.195 1.00 0.00 H new ATOM 515 N LYS A 35 1.712 -2.054 1.214 1.00 0.00 N ATOM 516 CA LYS A 35 2.441 -2.749 2.266 1.00 0.00 C ATOM 517 C LYS A 35 2.271 -4.259 2.139 1.00 0.00 C ATOM 518 O LYS A 35 1.554 -4.746 1.266 1.00 0.00 O ATOM 519 CB LYS A 35 1.925 -2.301 3.634 1.00 0.00 C ATOM 520 CG LYS A 35 0.395 -2.184 3.587 1.00 0.00 C ATOM 521 CD LYS A 35 -0.170 -2.319 4.999 1.00 0.00 C ATOM 522 CE LYS A 35 -1.687 -2.138 4.970 1.00 0.00 C ATOM 523 NZ LYS A 35 -2.226 -2.276 6.350 1.00 0.00 N ATOM 0 H LYS A 35 0.940 -2.583 0.808 1.00 0.00 H new ATOM 0 HA LYS A 35 3.498 -2.504 2.167 1.00 0.00 H new ATOM 0 HB2 LYS A 35 2.223 -3.017 4.400 1.00 0.00 H new ATOM 0 HB3 LYS A 35 2.366 -1.342 3.905 1.00 0.00 H new ATOM 0 HG2 LYS A 35 0.106 -1.224 3.159 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.020 -2.959 2.942 1.00 0.00 H new ATOM 0 HD2 LYS A 35 0.081 -3.297 5.409 1.00 0.00 H new ATOM 0 HD3 LYS A 35 0.282 -1.574 5.654 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -1.940 -1.158 4.565 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.141 -2.881 4.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -3.259 -2.153 6.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -1.996 -3.220 6.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -1.801 -1.551 6.963 1.00 0.00 H new ATOM 537 N CYS A 36 2.927 -4.988 3.037 1.00 0.00 N ATOM 538 CA CYS A 36 2.850 -6.446 3.054 1.00 0.00 C ATOM 539 C CYS A 36 1.950 -6.910 4.199 1.00 0.00 C ATOM 540 O CYS A 36 2.125 -6.500 5.347 1.00 0.00 O ATOM 541 CB CYS A 36 4.262 -7.029 3.206 1.00 0.00 C ATOM 542 SG CYS A 36 5.005 -7.224 1.565 1.00 0.00 S ATOM 0 H CYS A 36 3.520 -4.591 3.766 1.00 0.00 H new ATOM 0 HA CYS A 36 2.420 -6.799 2.117 1.00 0.00 H new ATOM 0 HB2 CYS A 36 4.876 -6.371 3.821 1.00 0.00 H new ATOM 0 HB3 CYS A 36 4.218 -7.992 3.715 1.00 0.00 H new ATOM 547 N VAL A 37 0.978 -7.764 3.875 1.00 0.00 N ATOM 548 CA VAL A 37 0.039 -8.283 4.875 1.00 0.00 C ATOM 549 C VAL A 37 -0.171 -9.781 4.686 1.00 0.00 C ATOM 550 O VAL A 37 0.146 -10.334 3.635 1.00 0.00 O ATOM 551 CB VAL A 37 -1.307 -7.564 4.756 1.00 0.00 C ATOM 552 CG1 VAL A 37 -1.120 -6.072 5.028 1.00 0.00 C ATOM 553 CG2 VAL A 37 -1.869 -7.759 3.347 1.00 0.00 C ATOM 0 H VAL A 37 0.819 -8.112 2.929 1.00 0.00 H new ATOM 0 HA VAL A 37 0.461 -8.105 5.864 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.002 -7.980 5.485 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.080 -5.563 4.942 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -0.724 -5.932 6.034 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.422 -5.654 4.302 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.827 -7.247 3.263 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.172 -7.347 2.617 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.008 -8.823 3.155 1.00 0.00 H new ATOM 563 N HIS A 38 -0.716 -10.433 5.714 1.00 0.00 N ATOM 564 CA HIS A 38 -0.979 -11.875 5.663 1.00 0.00 C ATOM 565 C HIS A 38 -2.480 -12.132 5.571 1.00 0.00 C ATOM 566 O HIS A 38 -3.293 -11.290 5.955 1.00 0.00 O ATOM 567 CB HIS A 38 -0.412 -12.559 6.914 1.00 0.00 C ATOM 568 CG HIS A 38 -0.555 -11.637 8.093 1.00 0.00 C ATOM 569 ND1 HIS A 38 -1.711 -11.590 8.858 1.00 0.00 N ATOM 570 CD2 HIS A 38 0.298 -10.715 8.647 1.00 0.00 C ATOM 571 CE1 HIS A 38 -1.524 -10.668 9.818 1.00 0.00 C ATOM 572 NE2 HIS A 38 -0.316 -10.103 9.735 1.00 0.00 N ATOM 0 H HIS A 38 -0.984 -9.988 6.592 1.00 0.00 H new ATOM 0 HA HIS A 38 -0.492 -12.288 4.779 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -0.940 -13.494 7.102 1.00 0.00 H new ATOM 0 HB3 HIS A 38 0.637 -12.811 6.760 1.00 0.00 H new ATOM 0 HD2 HIS A 38 1.295 -10.498 8.292 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -2.261 -10.415 10.566 1.00 0.00 H new ATOM 0 HE2 HIS A 38 0.072 -9.379 10.339 1.00 0.00 H new ATOM 580 N ILE A 39 -2.834 -13.301 5.045 1.00 0.00 N ATOM 581 CA ILE A 39 -4.236 -13.683 4.880 1.00 0.00 C ATOM 582 C ILE A 39 -4.524 -14.990 5.605 1.00 0.00 C ATOM 583 O ILE A 39 -3.802 -15.975 5.440 1.00 0.00 O ATOM 584 CB ILE A 39 -4.529 -13.849 3.394 1.00 0.00 C ATOM 585 CG1 ILE A 39 -4.318 -12.505 2.696 1.00 0.00 C ATOM 586 CG2 ILE A 39 -5.973 -14.312 3.200 1.00 0.00 C ATOM 587 CD1 ILE A 39 -4.346 -12.700 1.181 1.00 0.00 C ATOM 0 H ILE A 39 -2.168 -14.004 4.724 1.00 0.00 H new ATOM 0 HA ILE A 39 -4.871 -12.906 5.305 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.860 -14.596 2.967 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.096 -11.803 2.996 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.364 -12.073 2.999 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -6.178 -14.429 2.136 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -6.120 -15.267 3.705 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -6.652 -13.571 3.621 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -4.195 -11.740 0.688 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.552 -13.387 0.888 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -5.311 -13.112 0.885 1.00 0.00 H new ATOM 599 N GLY A 40 -5.580 -14.997 6.408 1.00 0.00 N ATOM 600 CA GLY A 40 -5.950 -16.196 7.149 1.00 0.00 C ATOM 601 C GLY A 40 -4.735 -16.793 7.848 1.00 0.00 C ATOM 602 O GLY A 40 -4.238 -16.245 8.831 1.00 0.00 O ATOM 0 H GLY A 40 -6.190 -14.194 6.562 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -6.716 -15.953 7.885 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.382 -16.931 6.470 1.00 0.00 H new ATOM 606 N GLN A 41 -4.262 -17.928 7.335 1.00 0.00 N ATOM 607 CA GLN A 41 -3.104 -18.608 7.913 1.00 0.00 C ATOM 608 C GLN A 41 -2.156 -19.080 6.811 1.00 0.00 C ATOM 609 O GLN A 41 -1.492 -20.107 6.953 1.00 0.00 O ATOM 610 CB GLN A 41 -3.570 -19.815 8.732 1.00 0.00 C ATOM 611 CG GLN A 41 -4.469 -19.344 9.881 1.00 0.00 C ATOM 612 CD GLN A 41 -3.676 -18.480 10.858 1.00 0.00 C ATOM 613 OE1 GLN A 41 -4.127 -17.299 11.184 1.00 0.00 O flip ATOM 614 NE2 GLN A 41 -2.620 -18.892 11.338 1.00 0.00 N flip ATOM 0 H GLN A 41 -4.662 -18.395 6.521 1.00 0.00 H new ATOM 0 HA GLN A 41 -2.575 -17.907 8.559 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -4.114 -20.511 8.094 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -2.708 -20.352 9.128 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -5.310 -18.776 9.484 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -4.885 -20.206 10.403 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -2.269 -19.815 11.082 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -2.096 -18.310 11.992 1.00 0.00 H new ATOM 623 N SER A 42 -2.093 -18.326 5.714 1.00 0.00 N ATOM 624 CA SER A 42 -1.216 -18.691 4.604 1.00 0.00 C ATOM 625 C SER A 42 0.204 -18.215 4.875 1.00 0.00 C ATOM 626 O SER A 42 1.148 -18.606 4.189 1.00 0.00 O ATOM 627 CB SER A 42 -1.733 -18.062 3.312 1.00 0.00 C ATOM 628 OG SER A 42 -2.823 -18.832 2.821 1.00 0.00 O ATOM 0 H SER A 42 -2.631 -17.471 5.571 1.00 0.00 H new ATOM 0 HA SER A 42 -1.210 -19.776 4.502 1.00 0.00 H new ATOM 0 HB2 SER A 42 -2.051 -17.035 3.495 1.00 0.00 H new ATOM 0 HB3 SER A 42 -0.937 -18.022 2.569 1.00 0.00 H new ATOM 0 HG SER A 42 -3.160 -18.431 1.992 1.00 0.00 H new ATOM 634 N LEU A 43 0.338 -17.376 5.886 1.00 0.00 N ATOM 635 CA LEU A 43 1.632 -16.843 6.268 1.00 0.00 C ATOM 636 C LEU A 43 2.357 -16.292 5.045 1.00 0.00 C ATOM 637 O LEU A 43 3.586 -16.283 4.985 1.00 0.00 O ATOM 638 CB LEU A 43 2.452 -17.966 6.937 1.00 0.00 C ATOM 639 CG LEU A 43 3.281 -17.430 8.119 1.00 0.00 C ATOM 640 CD1 LEU A 43 4.246 -16.339 7.632 1.00 0.00 C ATOM 641 CD2 LEU A 43 2.347 -16.873 9.218 1.00 0.00 C ATOM 0 H LEU A 43 -0.439 -17.048 6.460 1.00 0.00 H new ATOM 0 HA LEU A 43 1.504 -16.023 6.974 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.780 -18.749 7.288 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.116 -18.421 6.202 1.00 0.00 H new ATOM 0 HG LEU A 43 3.863 -18.248 8.542 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.828 -15.966 8.475 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.919 -16.756 6.883 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.677 -15.520 7.193 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.945 -16.497 10.048 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.746 -16.062 8.808 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.691 -17.667 9.574 1.00 0.00 H new ATOM 653 N ASP A 44 1.577 -15.831 4.072 1.00 0.00 N ATOM 654 CA ASP A 44 2.129 -15.270 2.845 1.00 0.00 C ATOM 655 C ASP A 44 1.990 -13.750 2.847 1.00 0.00 C ATOM 656 O ASP A 44 0.921 -13.216 3.145 1.00 0.00 O ATOM 657 CB ASP A 44 1.384 -15.855 1.650 1.00 0.00 C ATOM 658 CG ASP A 44 1.757 -17.323 1.476 1.00 0.00 C ATOM 659 OD1 ASP A 44 2.731 -17.741 2.080 1.00 0.00 O ATOM 660 OD2 ASP A 44 1.065 -18.007 0.741 1.00 0.00 O ATOM 0 H ASP A 44 0.558 -15.835 4.111 1.00 0.00 H new ATOM 0 HA ASP A 44 3.188 -15.521 2.779 1.00 0.00 H new ATOM 0 HB2 ASP A 44 0.308 -15.759 1.798 1.00 0.00 H new ATOM 0 HB3 ASP A 44 1.633 -15.298 0.747 1.00 0.00 H new ATOM 665 N PHE A 45 3.075 -13.055 2.506 1.00 0.00 N ATOM 666 CA PHE A 45 3.062 -11.594 2.468 1.00 0.00 C ATOM 667 C PHE A 45 2.736 -11.114 1.061 1.00 0.00 C ATOM 668 O PHE A 45 3.482 -11.372 0.114 1.00 0.00 O ATOM 669 CB PHE A 45 4.431 -11.054 2.889 1.00 0.00 C ATOM 670 CG PHE A 45 4.609 -11.219 4.384 1.00 0.00 C ATOM 671 CD1 PHE A 45 3.845 -10.448 5.269 1.00 0.00 C ATOM 672 CD2 PHE A 45 5.537 -12.141 4.885 1.00 0.00 C ATOM 673 CE1 PHE A 45 4.007 -10.598 6.652 1.00 0.00 C ATOM 674 CE2 PHE A 45 5.701 -12.290 6.267 1.00 0.00 C ATOM 675 CZ PHE A 45 4.936 -11.519 7.151 1.00 0.00 C ATOM 0 H PHE A 45 3.968 -13.477 2.254 1.00 0.00 H new ATOM 0 HA PHE A 45 2.301 -11.228 3.157 1.00 0.00 H new ATOM 0 HB2 PHE A 45 5.221 -11.586 2.358 1.00 0.00 H new ATOM 0 HB3 PHE A 45 4.517 -10.002 2.617 1.00 0.00 H new ATOM 0 HD1 PHE A 45 3.130 -9.736 4.884 1.00 0.00 H new ATOM 0 HD2 PHE A 45 6.126 -12.737 4.204 1.00 0.00 H new ATOM 0 HE1 PHE A 45 3.416 -10.004 7.333 1.00 0.00 H new ATOM 0 HE2 PHE A 45 6.418 -13.000 6.652 1.00 0.00 H new ATOM 0 HZ PHE A 45 5.063 -11.635 8.217 1.00 0.00 H new ATOM 685 N VAL A 46 1.616 -10.409 0.931 1.00 0.00 N ATOM 686 CA VAL A 46 1.172 -9.891 -0.360 1.00 0.00 C ATOM 687 C VAL A 46 1.285 -8.381 -0.379 1.00 0.00 C ATOM 688 O VAL A 46 0.937 -7.709 0.592 1.00 0.00 O ATOM 689 CB VAL A 46 -0.277 -10.305 -0.616 1.00 0.00 C ATOM 690 CG1 VAL A 46 -0.335 -11.816 -0.854 1.00 0.00 C ATOM 691 CG2 VAL A 46 -1.136 -9.948 0.600 1.00 0.00 C ATOM 0 H VAL A 46 0.996 -10.182 1.708 1.00 0.00 H new ATOM 0 HA VAL A 46 1.806 -10.305 -1.144 1.00 0.00 H new ATOM 0 HB VAL A 46 -0.656 -9.780 -1.493 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.367 -12.116 -1.037 1.00 0.00 H new ATOM 0 HG12 VAL A 46 0.276 -12.072 -1.719 1.00 0.00 H new ATOM 0 HG13 VAL A 46 0.044 -12.338 0.025 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.169 -10.244 0.415 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.760 -10.473 1.478 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.092 -8.873 0.773 1.00 0.00 H new ATOM 701 N CYS A 47 1.779 -7.852 -1.491 1.00 0.00 N ATOM 702 CA CYS A 47 1.944 -6.412 -1.639 1.00 0.00 C ATOM 703 C CYS A 47 0.714 -5.821 -2.300 1.00 0.00 C ATOM 704 O CYS A 47 0.372 -6.178 -3.429 1.00 0.00 O ATOM 705 CB CYS A 47 3.170 -6.112 -2.504 1.00 0.00 C ATOM 706 SG CYS A 47 3.200 -4.350 -2.911 1.00 0.00 S ATOM 0 H CYS A 47 2.072 -8.397 -2.302 1.00 0.00 H new ATOM 0 HA CYS A 47 2.079 -5.970 -0.652 1.00 0.00 H new ATOM 0 HB2 CYS A 47 4.080 -6.390 -1.973 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.139 -6.707 -3.417 1.00 0.00 H new ATOM 711 N VAL A 48 0.039 -4.920 -1.584 1.00 0.00 N ATOM 712 CA VAL A 48 -1.171 -4.292 -2.109 1.00 0.00 C ATOM 713 C VAL A 48 -1.080 -2.772 -2.011 1.00 0.00 C ATOM 714 O VAL A 48 -0.415 -2.238 -1.126 1.00 0.00 O ATOM 715 CB VAL A 48 -2.394 -4.808 -1.339 1.00 0.00 C ATOM 716 CG1 VAL A 48 -2.441 -4.193 0.061 1.00 0.00 C ATOM 717 CG2 VAL A 48 -3.670 -4.440 -2.098 1.00 0.00 C ATOM 0 H VAL A 48 0.307 -4.612 -0.649 1.00 0.00 H new ATOM 0 HA VAL A 48 -1.274 -4.554 -3.162 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.319 -5.892 -1.247 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -3.314 -4.569 0.594 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.538 -4.463 0.608 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -2.505 -3.108 -0.020 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.538 -4.807 -1.550 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -3.735 -3.356 -2.197 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -3.648 -4.894 -3.089 1.00 0.00 H new ATOM 727 N CYS A 49 -1.758 -2.088 -2.934 1.00 0.00 N ATOM 728 CA CYS A 49 -1.763 -0.621 -2.967 1.00 0.00 C ATOM 729 C CYS A 49 -3.019 -0.116 -2.260 1.00 0.00 C ATOM 730 O CYS A 49 -3.934 -0.895 -1.992 1.00 0.00 O ATOM 731 CB CYS A 49 -1.749 -0.137 -4.424 1.00 0.00 C ATOM 732 SG CYS A 49 -1.971 1.641 -4.499 1.00 0.00 S ATOM 0 H CYS A 49 -2.312 -2.525 -3.670 1.00 0.00 H new ATOM 0 HA CYS A 49 -0.878 -0.235 -2.461 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -0.805 -0.412 -4.895 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -2.541 -0.632 -4.985 1.00 0.00 H new ATOM 737 N PHE A 50 -3.054 1.179 -1.926 1.00 0.00 N ATOM 738 CA PHE A 50 -4.209 1.750 -1.211 1.00 0.00 C ATOM 739 C PHE A 50 -4.750 3.003 -1.933 1.00 0.00 C ATOM 740 O PHE A 50 -4.004 3.956 -2.151 1.00 0.00 O ATOM 741 CB PHE A 50 -3.786 2.123 0.223 1.00 0.00 C ATOM 742 CG PHE A 50 -3.884 0.901 1.117 1.00 0.00 C ATOM 743 CD1 PHE A 50 -5.107 0.564 1.706 1.00 0.00 C ATOM 744 CD2 PHE A 50 -2.760 0.101 1.336 1.00 0.00 C ATOM 745 CE1 PHE A 50 -5.204 -0.572 2.519 1.00 0.00 C ATOM 746 CE2 PHE A 50 -2.856 -1.037 2.146 1.00 0.00 C ATOM 747 CZ PHE A 50 -4.079 -1.373 2.738 1.00 0.00 C ATOM 0 H PHE A 50 -2.310 1.845 -2.134 1.00 0.00 H new ATOM 0 HA PHE A 50 -5.003 1.003 -1.186 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.765 2.506 0.224 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -4.425 2.919 0.606 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -5.977 1.180 1.534 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.816 0.361 0.880 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -6.148 -0.829 2.977 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.987 -1.655 2.314 1.00 0.00 H new ATOM 0 HZ PHE A 50 -4.154 -2.250 3.363 1.00 0.00 H new ATOM 757 N PRO A 51 -6.025 3.038 -2.291 1.00 0.00 N ATOM 758 CA PRO A 51 -6.625 4.228 -2.977 1.00 0.00 C ATOM 759 C PRO A 51 -6.347 5.546 -2.244 1.00 0.00 C ATOM 760 O PRO A 51 -6.451 5.624 -1.019 1.00 0.00 O ATOM 761 CB PRO A 51 -8.137 3.939 -2.954 1.00 0.00 C ATOM 762 CG PRO A 51 -8.279 2.462 -2.813 1.00 0.00 C ATOM 763 CD PRO A 51 -7.019 1.953 -2.115 1.00 0.00 C ATOM 0 HA PRO A 51 -6.205 4.356 -3.975 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -8.619 4.457 -2.125 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -8.614 4.290 -3.869 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -9.168 2.214 -2.232 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -8.395 1.991 -3.789 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -7.204 1.754 -1.060 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -6.670 1.021 -2.559 1.00 0.00 H new ATOM 771 N LYS A 52 -6.015 6.585 -3.016 1.00 0.00 N ATOM 772 CA LYS A 52 -5.748 7.909 -2.467 1.00 0.00 C ATOM 773 C LYS A 52 -6.836 8.892 -2.900 1.00 0.00 C ATOM 774 O LYS A 52 -7.382 9.628 -2.080 1.00 0.00 O ATOM 775 CB LYS A 52 -4.379 8.386 -2.961 1.00 0.00 C ATOM 776 CG LYS A 52 -4.128 9.821 -2.505 1.00 0.00 C ATOM 777 CD LYS A 52 -2.720 10.239 -2.924 1.00 0.00 C ATOM 778 CE LYS A 52 -2.580 11.742 -2.725 1.00 0.00 C ATOM 779 NZ LYS A 52 -2.718 12.072 -1.277 1.00 0.00 N ATOM 0 H LYS A 52 -5.925 6.529 -4.031 1.00 0.00 H new ATOM 0 HA LYS A 52 -5.747 7.858 -1.378 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.597 7.732 -2.576 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.336 8.329 -4.049 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -4.866 10.491 -2.947 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -4.236 9.896 -1.423 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -1.975 9.708 -2.331 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -2.542 9.977 -3.967 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -1.611 12.079 -3.094 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -3.341 12.267 -3.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -2.424 13.056 -1.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -3.710 11.955 -0.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -2.117 11.435 -0.717 1.00 0.00 H new ATOM 793 N TYR A 53 -7.140 8.907 -4.204 1.00 0.00 N ATOM 794 CA TYR A 53 -8.160 9.815 -4.745 1.00 0.00 C ATOM 795 C TYR A 53 -9.159 9.052 -5.614 1.00 0.00 C ATOM 796 O TYR A 53 -9.579 9.536 -6.664 1.00 0.00 O ATOM 797 CB TYR A 53 -7.492 10.917 -5.578 1.00 0.00 C ATOM 798 CG TYR A 53 -6.940 10.335 -6.863 1.00 0.00 C ATOM 799 CD1 TYR A 53 -5.752 9.595 -6.846 1.00 0.00 C ATOM 800 CD2 TYR A 53 -7.623 10.534 -8.072 1.00 0.00 C ATOM 801 CE1 TYR A 53 -5.247 9.055 -8.035 1.00 0.00 C ATOM 802 CE2 TYR A 53 -7.118 9.993 -9.259 1.00 0.00 C ATOM 803 CZ TYR A 53 -5.931 9.253 -9.240 1.00 0.00 C ATOM 804 OH TYR A 53 -5.434 8.720 -10.413 1.00 0.00 O ATOM 0 H TYR A 53 -6.698 8.306 -4.900 1.00 0.00 H new ATOM 0 HA TYR A 53 -8.696 10.264 -3.909 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -8.215 11.701 -5.805 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -6.689 11.381 -5.005 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -5.225 9.441 -5.916 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -8.539 11.105 -8.086 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -4.329 8.486 -8.022 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -7.644 10.147 -10.190 1.00 0.00 H new ATOM 0 HH TYR A 53 -6.031 8.950 -11.156 1.00 0.00 H new ATOM 814 N TYR A 54 -9.538 7.860 -5.172 1.00 0.00 N ATOM 815 CA TYR A 54 -10.485 7.046 -5.919 1.00 0.00 C ATOM 816 C TYR A 54 -11.904 7.473 -5.596 1.00 0.00 C ATOM 817 O TYR A 54 -12.477 7.056 -4.589 1.00 0.00 O ATOM 818 CB TYR A 54 -10.299 5.579 -5.551 1.00 0.00 C ATOM 819 CG TYR A 54 -11.319 4.745 -6.279 1.00 0.00 C ATOM 820 CD1 TYR A 54 -11.089 4.359 -7.602 1.00 0.00 C ATOM 821 CD2 TYR A 54 -12.495 4.362 -5.628 1.00 0.00 C ATOM 822 CE1 TYR A 54 -12.038 3.587 -8.278 1.00 0.00 C ATOM 823 CE2 TYR A 54 -13.446 3.589 -6.303 1.00 0.00 C ATOM 824 CZ TYR A 54 -13.218 3.200 -7.629 1.00 0.00 C ATOM 825 OH TYR A 54 -14.153 2.438 -8.295 1.00 0.00 O ATOM 0 H TYR A 54 -9.206 7.438 -4.305 1.00 0.00 H new ATOM 0 HA TYR A 54 -10.306 7.180 -6.986 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -9.293 5.252 -5.813 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -10.407 5.447 -4.474 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -10.179 4.657 -8.102 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -12.669 4.662 -4.605 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -11.862 3.289 -9.301 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -14.356 3.292 -5.802 1.00 0.00 H new ATOM 0 HH TYR A 54 -14.911 2.257 -7.701 1.00 0.00 H new ATOM 835 N ILE A 55 -12.467 8.318 -6.452 1.00 0.00 N ATOM 836 CA ILE A 55 -13.821 8.816 -6.249 1.00 0.00 C ATOM 837 C ILE A 55 -14.803 8.077 -7.152 1.00 0.00 C ATOM 838 O ILE A 55 -15.953 7.948 -6.765 1.00 0.00 O ATOM 839 CB ILE A 55 -13.863 10.310 -6.560 1.00 0.00 C ATOM 840 CG1 ILE A 55 -12.668 11.004 -5.895 1.00 0.00 C ATOM 841 CG2 ILE A 55 -15.164 10.903 -6.021 1.00 0.00 C ATOM 842 CD1 ILE A 55 -12.619 10.666 -4.400 1.00 0.00 C ATOM 843 OXT ILE A 55 -14.392 7.650 -8.218 1.00 0.00 O ATOM 0 H ILE A 55 -12.008 8.672 -7.291 1.00 0.00 H new ATOM 0 HA ILE A 55 -14.107 8.647 -5.211 1.00 0.00 H new ATOM 0 HB ILE A 55 -13.814 10.460 -7.638 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -11.742 10.689 -6.376 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -12.745 12.083 -6.028 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -15.196 11.970 -6.242 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -16.013 10.409 -6.494 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -15.212 10.754 -4.942 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -11.766 11.166 -3.942 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -13.538 11.004 -3.920 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -12.519 9.588 -4.274 1.00 0.00 H new TER 855 ILE A 55