USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 607 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 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 49 ASN : amide:sc= -0.125 X(o=-0.13,f=-0.13) USER MOD Set 2.1: A 2 SER OG : rot 180:sc= 0.00143 USER MOD Set 2.2: A 5 SER OG : rot 8:sc= 0.353 USER MOD Single : A 1 GLY N :NH3+ 138:sc= 0.00552 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 139:sc= -1.73! (180deg=-3.09!) USER MOD Single : A 21 THR OG1 : rot 43:sc= 0.0311 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -110:sc= 0.851 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 CYS SG : rot -120:sc= -3.47! USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.0039 X(o=-0.0039,f=-0.0039) USER MOD Single : A 61 CYS SG : rot 42:sc= -0.627 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc=-0.00443 (180deg=-0.00443) USER MOD Single : A 72 HIS : no HD1:sc= -2.71 K(o=-2.7,f=-2) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0.0685 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.234 -16.976 -10.806 1.00 0.00 N ATOM 2 CA GLY A 1 9.839 -16.428 -9.561 1.00 0.00 C ATOM 3 C GLY A 1 10.703 -17.444 -8.841 1.00 0.00 C ATOM 4 O GLY A 1 10.369 -18.628 -8.791 1.00 0.00 O ATOM 0 H1 GLY A 1 8.244 -16.666 -10.877 1.00 0.00 H new ATOM 0 H2 GLY A 1 9.765 -16.631 -11.631 1.00 0.00 H new ATOM 0 H3 GLY A 1 9.270 -18.015 -10.781 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.441 -15.553 -9.808 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.046 -16.091 -8.893 1.00 0.00 H new ATOM 10 N SER A 2 11.816 -16.981 -8.280 1.00 0.00 N ATOM 11 CA SER A 2 12.731 -17.857 -7.559 1.00 0.00 C ATOM 12 C SER A 2 12.619 -17.639 -6.053 1.00 0.00 C ATOM 13 O SER A 2 11.815 -16.829 -5.591 1.00 0.00 O ATOM 14 CB SER A 2 14.170 -17.613 -8.016 1.00 0.00 C ATOM 15 OG SER A 2 14.457 -16.227 -8.080 1.00 0.00 O ATOM 0 H SER A 2 12.105 -16.003 -8.311 1.00 0.00 H new ATOM 0 HA SER A 2 12.457 -18.889 -7.780 1.00 0.00 H new ATOM 0 HB2 SER A 2 14.861 -18.099 -7.327 1.00 0.00 H new ATOM 0 HB3 SER A 2 14.325 -18.065 -8.995 1.00 0.00 H new ATOM 0 HG SER A 2 15.383 -16.098 -8.373 1.00 0.00 H new ATOM 21 N SER A 3 13.430 -18.368 -5.293 1.00 0.00 N ATOM 22 CA SER A 3 13.421 -18.255 -3.839 1.00 0.00 C ATOM 23 C SER A 3 14.279 -17.080 -3.380 1.00 0.00 C ATOM 24 O SER A 3 15.505 -17.179 -3.322 1.00 0.00 O ATOM 25 CB SER A 3 13.928 -19.550 -3.203 1.00 0.00 C ATOM 26 OG SER A 3 13.136 -20.657 -3.599 1.00 0.00 O ATOM 0 H SER A 3 14.101 -19.043 -5.660 1.00 0.00 H new ATOM 0 HA SER A 3 12.394 -18.079 -3.519 1.00 0.00 H new ATOM 0 HB2 SER A 3 14.965 -19.719 -3.492 1.00 0.00 H new ATOM 0 HB3 SER A 3 13.911 -19.457 -2.117 1.00 0.00 H new ATOM 0 HG SER A 3 13.482 -21.473 -3.180 1.00 0.00 H new ATOM 32 N GLY A 4 13.626 -15.969 -3.056 1.00 0.00 N ATOM 33 CA GLY A 4 14.345 -14.791 -2.606 1.00 0.00 C ATOM 34 C GLY A 4 14.598 -13.802 -3.725 1.00 0.00 C ATOM 35 O GLY A 4 15.517 -13.981 -4.526 1.00 0.00 O ATOM 0 H GLY A 4 12.612 -15.863 -3.097 1.00 0.00 H new ATOM 0 HA2 GLY A 4 13.776 -14.302 -1.815 1.00 0.00 H new ATOM 0 HA3 GLY A 4 15.298 -15.095 -2.172 1.00 0.00 H new ATOM 39 N SER A 5 13.782 -12.755 -3.784 1.00 0.00 N ATOM 40 CA SER A 5 13.920 -11.733 -4.815 1.00 0.00 C ATOM 41 C SER A 5 13.397 -10.388 -4.321 1.00 0.00 C ATOM 42 O SER A 5 14.108 -9.383 -4.356 1.00 0.00 O ATOM 43 CB SER A 5 13.172 -12.151 -6.081 1.00 0.00 C ATOM 44 OG SER A 5 13.850 -13.199 -6.752 1.00 0.00 O ATOM 0 H SER A 5 13.017 -12.592 -3.129 1.00 0.00 H new ATOM 0 HA SER A 5 14.980 -11.627 -5.047 1.00 0.00 H new ATOM 0 HB2 SER A 5 12.164 -12.474 -5.821 1.00 0.00 H new ATOM 0 HB3 SER A 5 13.071 -11.294 -6.747 1.00 0.00 H new ATOM 0 HG SER A 5 14.590 -13.519 -6.195 1.00 0.00 H new ATOM 50 N SER A 6 12.150 -10.377 -3.862 1.00 0.00 N ATOM 51 CA SER A 6 11.530 -9.156 -3.360 1.00 0.00 C ATOM 52 C SER A 6 11.166 -9.297 -1.887 1.00 0.00 C ATOM 53 O SER A 6 11.378 -10.347 -1.281 1.00 0.00 O ATOM 54 CB SER A 6 10.281 -8.820 -4.178 1.00 0.00 C ATOM 55 OG SER A 6 10.628 -8.292 -5.446 1.00 0.00 O ATOM 0 H SER A 6 11.549 -11.200 -3.827 1.00 0.00 H new ATOM 0 HA SER A 6 12.250 -8.344 -3.461 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.675 -9.717 -4.308 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.670 -8.099 -3.635 1.00 0.00 H new ATOM 0 HG SER A 6 9.812 -8.087 -5.949 1.00 0.00 H new ATOM 61 N GLY A 7 10.613 -8.231 -1.314 1.00 0.00 N ATOM 62 CA GLY A 7 10.228 -8.257 0.084 1.00 0.00 C ATOM 63 C GLY A 7 10.430 -6.918 0.766 1.00 0.00 C ATOM 64 O GLY A 7 11.561 -6.519 1.043 1.00 0.00 O ATOM 0 H GLY A 7 10.425 -7.351 -1.794 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.180 -8.548 0.164 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.810 -9.018 0.604 1.00 0.00 H new ATOM 68 N LEU A 8 9.330 -6.222 1.036 1.00 0.00 N ATOM 69 CA LEU A 8 9.391 -4.921 1.689 1.00 0.00 C ATOM 70 C LEU A 8 9.190 -5.057 3.195 1.00 0.00 C ATOM 71 O LEU A 8 8.800 -6.116 3.687 1.00 0.00 O ATOM 72 CB LEU A 8 8.332 -3.983 1.105 1.00 0.00 C ATOM 73 CG LEU A 8 8.497 -3.671 -0.383 1.00 0.00 C ATOM 74 CD1 LEU A 8 7.139 -3.528 -1.054 1.00 0.00 C ATOM 75 CD2 LEU A 8 9.322 -2.406 -0.573 1.00 0.00 C ATOM 0 H LEU A 8 8.386 -6.538 0.812 1.00 0.00 H new ATOM 0 HA LEU A 8 10.380 -4.499 1.509 1.00 0.00 H new ATOM 0 HB2 LEU A 8 7.349 -4.427 1.261 1.00 0.00 H new ATOM 0 HB3 LEU A 8 8.351 -3.046 1.662 1.00 0.00 H new ATOM 0 HG LEU A 8 9.025 -4.501 -0.852 1.00 0.00 H new ATOM 0 HD11 LEU A 8 7.278 -3.306 -2.112 1.00 0.00 H new ATOM 0 HD12 LEU A 8 6.581 -4.458 -0.948 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.584 -2.717 -0.583 1.00 0.00 H new ATOM 0 HD21 LEU A 8 9.430 -2.198 -1.638 1.00 0.00 H new ATOM 0 HD22 LEU A 8 8.820 -1.568 -0.089 1.00 0.00 H new ATOM 0 HD23 LEU A 8 10.308 -2.544 -0.129 1.00 0.00 H new ATOM 87 N ARG A 9 9.458 -3.978 3.922 1.00 0.00 N ATOM 88 CA ARG A 9 9.308 -3.977 5.373 1.00 0.00 C ATOM 89 C ARG A 9 8.106 -3.137 5.794 1.00 0.00 C ATOM 90 O ARG A 9 7.535 -2.403 4.988 1.00 0.00 O ATOM 91 CB ARG A 9 10.576 -3.440 6.038 1.00 0.00 C ATOM 92 CG ARG A 9 11.851 -4.104 5.541 1.00 0.00 C ATOM 93 CD ARG A 9 12.230 -5.296 6.404 1.00 0.00 C ATOM 94 NE ARG A 9 11.410 -6.470 6.108 1.00 0.00 N ATOM 95 CZ ARG A 9 11.673 -7.692 6.564 1.00 0.00 C ATOM 96 NH1 ARG A 9 12.733 -7.907 7.333 1.00 0.00 N ATOM 97 NH2 ARG A 9 10.876 -8.703 6.247 1.00 0.00 N ATOM 0 H ARG A 9 9.780 -3.093 3.531 1.00 0.00 H new ATOM 0 HA ARG A 9 9.144 -5.005 5.697 1.00 0.00 H new ATOM 0 HB2 ARG A 9 10.642 -2.366 5.861 1.00 0.00 H new ATOM 0 HB3 ARG A 9 10.499 -3.581 7.116 1.00 0.00 H new ATOM 0 HG2 ARG A 9 11.715 -4.429 4.509 1.00 0.00 H new ATOM 0 HG3 ARG A 9 12.665 -3.379 5.542 1.00 0.00 H new ATOM 0 HD2 ARG A 9 13.281 -5.539 6.246 1.00 0.00 H new ATOM 0 HD3 ARG A 9 12.119 -5.032 7.456 1.00 0.00 H new ATOM 0 HE ARG A 9 10.588 -6.345 5.517 1.00 0.00 H new ATOM 0 HH11 ARG A 9 13.351 -7.133 7.577 1.00 0.00 H new ATOM 0 HH12 ARG A 9 12.930 -8.846 7.680 1.00 0.00 H new ATOM 0 HH21 ARG A 9 10.062 -8.544 5.654 1.00 0.00 H new ATOM 0 HH22 ARG A 9 11.077 -9.640 6.596 1.00 0.00 H new ATOM 111 N LEU A 10 7.726 -3.251 7.063 1.00 0.00 N ATOM 112 CA LEU A 10 6.591 -2.502 7.591 1.00 0.00 C ATOM 113 C LEU A 10 7.013 -1.096 8.004 1.00 0.00 C ATOM 114 O LEU A 10 7.624 -0.903 9.055 1.00 0.00 O ATOM 115 CB LEU A 10 5.982 -3.236 8.787 1.00 0.00 C ATOM 116 CG LEU A 10 5.786 -4.741 8.594 1.00 0.00 C ATOM 117 CD1 LEU A 10 6.008 -5.481 9.904 1.00 0.00 C ATOM 118 CD2 LEU A 10 4.397 -5.030 8.044 1.00 0.00 C ATOM 0 H LEU A 10 8.187 -3.854 7.744 1.00 0.00 H new ATOM 0 HA LEU A 10 5.842 -2.421 6.803 1.00 0.00 H new ATOM 0 HB2 LEU A 10 6.622 -3.077 9.655 1.00 0.00 H new ATOM 0 HB3 LEU A 10 5.016 -2.786 9.016 1.00 0.00 H new ATOM 0 HG LEU A 10 6.522 -5.095 7.872 1.00 0.00 H new ATOM 0 HD11 LEU A 10 5.864 -6.550 9.747 1.00 0.00 H new ATOM 0 HD12 LEU A 10 7.023 -5.299 10.257 1.00 0.00 H new ATOM 0 HD13 LEU A 10 5.296 -5.125 10.648 1.00 0.00 H new ATOM 0 HD21 LEU A 10 4.274 -6.105 7.913 1.00 0.00 H new ATOM 0 HD22 LEU A 10 3.645 -4.661 8.742 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.275 -4.531 7.083 1.00 0.00 H new ATOM 130 N GLY A 11 6.681 -0.116 7.170 1.00 0.00 N ATOM 131 CA GLY A 11 7.033 1.260 7.466 1.00 0.00 C ATOM 132 C GLY A 11 8.148 1.778 6.579 1.00 0.00 C ATOM 133 O GLY A 11 9.190 2.209 7.069 1.00 0.00 O ATOM 0 H GLY A 11 6.175 -0.250 6.295 1.00 0.00 H new ATOM 0 HA2 GLY A 11 6.153 1.891 7.344 1.00 0.00 H new ATOM 0 HA3 GLY A 11 7.338 1.337 8.510 1.00 0.00 H new ATOM 137 N ASP A 12 7.926 1.734 5.269 1.00 0.00 N ATOM 138 CA ASP A 12 8.920 2.202 4.310 1.00 0.00 C ATOM 139 C ASP A 12 8.285 3.124 3.274 1.00 0.00 C ATOM 140 O ASP A 12 7.146 2.913 2.856 1.00 0.00 O ATOM 141 CB ASP A 12 9.586 1.014 3.613 1.00 0.00 C ATOM 142 CG ASP A 12 10.857 0.571 4.311 1.00 0.00 C ATOM 143 OD1 ASP A 12 10.761 -0.211 5.280 1.00 0.00 O ATOM 144 OD2 ASP A 12 11.948 1.009 3.890 1.00 0.00 O ATOM 0 H ASP A 12 7.067 1.379 4.848 1.00 0.00 H new ATOM 0 HA ASP A 12 9.677 2.765 4.855 1.00 0.00 H new ATOM 0 HB2 ASP A 12 8.886 0.179 3.575 1.00 0.00 H new ATOM 0 HB3 ASP A 12 9.816 1.284 2.582 1.00 0.00 H new ATOM 149 N ARG A 13 9.028 4.147 2.864 1.00 0.00 N ATOM 150 CA ARG A 13 8.536 5.101 1.877 1.00 0.00 C ATOM 151 C ARG A 13 8.683 4.546 0.464 1.00 0.00 C ATOM 152 O ARG A 13 9.778 4.529 -0.097 1.00 0.00 O ATOM 153 CB ARG A 13 9.290 6.427 2.000 1.00 0.00 C ATOM 154 CG ARG A 13 8.540 7.480 2.801 1.00 0.00 C ATOM 155 CD ARG A 13 9.385 8.022 3.944 1.00 0.00 C ATOM 156 NE ARG A 13 9.132 9.440 4.188 1.00 0.00 N ATOM 157 CZ ARG A 13 8.021 9.907 4.751 1.00 0.00 C ATOM 158 NH1 ARG A 13 7.059 9.075 5.130 1.00 0.00 N ATOM 159 NH2 ARG A 13 7.870 11.213 4.936 1.00 0.00 N ATOM 0 H ARG A 13 9.972 4.336 3.200 1.00 0.00 H new ATOM 0 HA ARG A 13 7.477 5.274 2.070 1.00 0.00 H new ATOM 0 HB2 ARG A 13 10.256 6.244 2.470 1.00 0.00 H new ATOM 0 HB3 ARG A 13 9.490 6.816 1.002 1.00 0.00 H new ATOM 0 HG2 ARG A 13 8.249 8.299 2.143 1.00 0.00 H new ATOM 0 HG3 ARG A 13 7.622 7.049 3.199 1.00 0.00 H new ATOM 0 HD2 ARG A 13 9.174 7.455 4.851 1.00 0.00 H new ATOM 0 HD3 ARG A 13 10.441 7.876 3.715 1.00 0.00 H new ATOM 0 HE ARG A 13 9.849 10.111 3.911 1.00 0.00 H new ATOM 0 HH11 ARG A 13 7.169 8.071 4.990 1.00 0.00 H new ATOM 0 HH12 ARG A 13 6.210 9.440 5.561 1.00 0.00 H new ATOM 0 HH21 ARG A 13 8.606 11.858 4.646 1.00 0.00 H new ATOM 0 HH22 ARG A 13 7.018 11.572 5.368 1.00 0.00 H new ATOM 173 N VAL A 14 7.571 4.093 -0.105 1.00 0.00 N ATOM 174 CA VAL A 14 7.573 3.538 -1.453 1.00 0.00 C ATOM 175 C VAL A 14 6.653 4.329 -2.375 1.00 0.00 C ATOM 176 O VAL A 14 5.640 4.875 -1.938 1.00 0.00 O ATOM 177 CB VAL A 14 7.133 2.062 -1.453 1.00 0.00 C ATOM 178 CG1 VAL A 14 8.172 1.194 -0.763 1.00 0.00 C ATOM 179 CG2 VAL A 14 5.773 1.911 -0.789 1.00 0.00 C ATOM 0 H VAL A 14 6.657 4.099 0.347 1.00 0.00 H new ATOM 0 HA VAL A 14 8.597 3.605 -1.820 1.00 0.00 H new ATOM 0 HB VAL A 14 7.046 1.728 -2.487 1.00 0.00 H new ATOM 0 HG11 VAL A 14 7.843 0.155 -0.773 1.00 0.00 H new ATOM 0 HG12 VAL A 14 9.123 1.278 -1.288 1.00 0.00 H new ATOM 0 HG13 VAL A 14 8.296 1.525 0.268 1.00 0.00 H new ATOM 0 HG21 VAL A 14 5.478 0.862 -0.798 1.00 0.00 H new ATOM 0 HG22 VAL A 14 5.830 2.263 0.241 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.035 2.500 -1.333 1.00 0.00 H new ATOM 189 N LEU A 15 7.013 4.389 -3.654 1.00 0.00 N ATOM 190 CA LEU A 15 6.218 5.116 -4.637 1.00 0.00 C ATOM 191 C LEU A 15 5.184 4.199 -5.283 1.00 0.00 C ATOM 192 O LEU A 15 5.529 3.175 -5.873 1.00 0.00 O ATOM 193 CB LEU A 15 7.125 5.719 -5.712 1.00 0.00 C ATOM 194 CG LEU A 15 6.462 6.772 -6.600 1.00 0.00 C ATOM 195 CD1 LEU A 15 5.961 7.939 -5.763 1.00 0.00 C ATOM 196 CD2 LEU A 15 7.433 7.256 -7.666 1.00 0.00 C ATOM 0 H LEU A 15 7.849 3.944 -4.033 1.00 0.00 H new ATOM 0 HA LEU A 15 5.693 5.921 -4.122 1.00 0.00 H new ATOM 0 HB2 LEU A 15 7.991 6.169 -5.225 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.498 4.914 -6.345 1.00 0.00 H new ATOM 0 HG LEU A 15 5.606 6.315 -7.096 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.492 8.678 -6.413 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.232 7.579 -5.037 1.00 0.00 H new ATOM 0 HD13 LEU A 15 6.800 8.397 -5.238 1.00 0.00 H new ATOM 0 HD21 LEU A 15 6.945 8.005 -8.289 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.308 7.696 -7.188 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.742 6.414 -8.285 1.00 0.00 H new ATOM 208 N VAL A 16 3.914 4.574 -5.167 1.00 0.00 N ATOM 209 CA VAL A 16 2.829 3.785 -5.738 1.00 0.00 C ATOM 210 C VAL A 16 2.272 4.446 -6.994 1.00 0.00 C ATOM 211 O VAL A 16 1.647 5.505 -6.926 1.00 0.00 O ATOM 212 CB VAL A 16 1.685 3.588 -4.726 1.00 0.00 C ATOM 213 CG1 VAL A 16 0.658 2.604 -5.264 1.00 0.00 C ATOM 214 CG2 VAL A 16 2.233 3.119 -3.386 1.00 0.00 C ATOM 0 H VAL A 16 3.611 5.419 -4.683 1.00 0.00 H new ATOM 0 HA VAL A 16 3.247 2.812 -5.996 1.00 0.00 H new ATOM 0 HB VAL A 16 1.189 4.547 -4.575 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.142 2.478 -4.535 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.242 2.985 -6.197 1.00 0.00 H new ATOM 0 HG13 VAL A 16 1.137 1.642 -5.447 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.411 2.985 -2.683 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.755 2.171 -3.518 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.926 3.864 -2.995 1.00 0.00 H new ATOM 224 N GLY A 17 2.501 3.814 -8.140 1.00 0.00 N ATOM 225 CA GLY A 17 2.016 4.355 -9.396 1.00 0.00 C ATOM 226 C GLY A 17 3.071 5.160 -10.128 1.00 0.00 C ATOM 227 O GLY A 17 3.050 5.252 -11.356 1.00 0.00 O ATOM 0 H GLY A 17 3.014 2.936 -8.221 1.00 0.00 H new ATOM 0 HA2 GLY A 17 1.680 3.538 -10.034 1.00 0.00 H new ATOM 0 HA3 GLY A 17 1.149 4.987 -9.205 1.00 0.00 H new ATOM 231 N GLY A 18 3.997 5.744 -9.374 1.00 0.00 N ATOM 232 CA GLY A 18 5.051 6.538 -9.976 1.00 0.00 C ATOM 233 C GLY A 18 4.847 8.025 -9.769 1.00 0.00 C ATOM 234 O GLY A 18 5.290 8.838 -10.581 1.00 0.00 O ATOM 0 H GLY A 18 4.036 5.681 -8.357 1.00 0.00 H new ATOM 0 HA2 GLY A 18 6.011 6.244 -9.552 1.00 0.00 H new ATOM 0 HA3 GLY A 18 5.096 6.326 -11.044 1.00 0.00 H new ATOM 238 N THR A 19 4.174 8.383 -8.680 1.00 0.00 N ATOM 239 CA THR A 19 3.913 9.783 -8.368 1.00 0.00 C ATOM 240 C THR A 19 3.373 9.933 -6.950 1.00 0.00 C ATOM 241 O THR A 19 3.785 10.827 -6.210 1.00 0.00 O ATOM 242 CB THR A 19 2.917 10.371 -9.370 1.00 0.00 C ATOM 243 OG1 THR A 19 2.589 11.705 -9.026 1.00 0.00 O ATOM 244 CG2 THR A 19 1.625 9.589 -9.460 1.00 0.00 C ATOM 0 H THR A 19 3.800 7.722 -7.999 1.00 0.00 H new ATOM 0 HA THR A 19 4.855 10.328 -8.438 1.00 0.00 H new ATOM 0 HB THR A 19 3.418 10.324 -10.337 1.00 0.00 H new ATOM 0 HG1 THR A 19 1.953 12.064 -9.679 1.00 0.00 H new ATOM 0 HG21 THR A 19 0.965 10.060 -10.188 1.00 0.00 H new ATOM 0 HG22 THR A 19 1.839 8.567 -9.772 1.00 0.00 H new ATOM 0 HG23 THR A 19 1.139 9.576 -8.484 1.00 0.00 H new ATOM 252 N LYS A 20 2.450 9.054 -6.577 1.00 0.00 N ATOM 253 CA LYS A 20 1.855 9.089 -5.246 1.00 0.00 C ATOM 254 C LYS A 20 2.805 8.497 -4.210 1.00 0.00 C ATOM 255 O LYS A 20 3.127 7.310 -4.255 1.00 0.00 O ATOM 256 CB LYS A 20 0.531 8.322 -5.237 1.00 0.00 C ATOM 257 CG LYS A 20 -0.452 8.792 -6.299 1.00 0.00 C ATOM 258 CD LYS A 20 -0.860 7.659 -7.227 1.00 0.00 C ATOM 259 CE LYS A 20 -2.176 7.033 -6.795 1.00 0.00 C ATOM 260 NZ LYS A 20 -1.967 5.856 -5.907 1.00 0.00 N ATOM 0 H LYS A 20 2.097 8.308 -7.177 1.00 0.00 H new ATOM 0 HA LYS A 20 1.666 10.131 -4.987 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.734 7.261 -5.386 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.068 8.424 -4.255 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.338 9.205 -5.817 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.002 9.596 -6.882 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.952 8.036 -8.245 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.080 6.898 -7.239 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.779 7.778 -6.275 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.739 6.727 -7.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -2.665 5.874 -5.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.082 4.981 -6.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -1.008 5.890 -5.506 1.00 0.00 H new ATOM 274 N THR A 21 3.249 9.333 -3.277 1.00 0.00 N ATOM 275 CA THR A 21 4.163 8.892 -2.230 1.00 0.00 C ATOM 276 C THR A 21 3.393 8.372 -1.020 1.00 0.00 C ATOM 277 O THR A 21 2.523 9.057 -0.484 1.00 0.00 O ATOM 278 CB THR A 21 5.084 10.038 -1.807 1.00 0.00 C ATOM 279 OG1 THR A 21 4.349 11.236 -1.630 1.00 0.00 O ATOM 280 CG2 THR A 21 6.189 10.317 -2.806 1.00 0.00 C ATOM 0 H THR A 21 2.991 10.318 -3.225 1.00 0.00 H new ATOM 0 HA THR A 21 4.768 8.080 -2.632 1.00 0.00 H new ATOM 0 HB THR A 21 5.537 9.714 -0.870 1.00 0.00 H new ATOM 0 HG1 THR A 21 3.518 11.042 -1.148 1.00 0.00 H new ATOM 0 HG21 THR A 21 6.806 11.140 -2.446 1.00 0.00 H new ATOM 0 HG22 THR A 21 6.806 9.426 -2.924 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.751 10.585 -3.767 1.00 0.00 H new ATOM 288 N GLY A 22 3.721 7.155 -0.595 1.00 0.00 N ATOM 289 CA GLY A 22 3.052 6.564 0.548 1.00 0.00 C ATOM 290 C GLY A 22 3.929 5.570 1.283 1.00 0.00 C ATOM 291 O GLY A 22 4.773 4.910 0.677 1.00 0.00 O ATOM 0 H GLY A 22 4.438 6.569 -1.022 1.00 0.00 H new ATOM 0 HA2 GLY A 22 2.748 7.353 1.235 1.00 0.00 H new ATOM 0 HA3 GLY A 22 2.143 6.064 0.214 1.00 0.00 H new ATOM 295 N VAL A 23 3.730 5.464 2.593 1.00 0.00 N ATOM 296 CA VAL A 23 4.510 4.544 3.413 1.00 0.00 C ATOM 297 C VAL A 23 3.847 3.172 3.484 1.00 0.00 C ATOM 298 O VAL A 23 2.620 3.065 3.473 1.00 0.00 O ATOM 299 CB VAL A 23 4.698 5.086 4.841 1.00 0.00 C ATOM 300 CG1 VAL A 23 5.674 4.216 5.620 1.00 0.00 C ATOM 301 CG2 VAL A 23 5.170 6.531 4.808 1.00 0.00 C ATOM 0 H VAL A 23 3.035 6.004 3.109 1.00 0.00 H new ATOM 0 HA VAL A 23 5.486 4.448 2.938 1.00 0.00 H new ATOM 0 HB VAL A 23 3.734 5.055 5.350 1.00 0.00 H new ATOM 0 HG11 VAL A 23 5.794 4.615 6.627 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.289 3.198 5.677 1.00 0.00 H new ATOM 0 HG13 VAL A 23 6.640 4.211 5.115 1.00 0.00 H new ATOM 0 HG21 VAL A 23 5.297 6.896 5.827 1.00 0.00 H new ATOM 0 HG22 VAL A 23 6.122 6.591 4.280 1.00 0.00 H new ATOM 0 HG23 VAL A 23 4.430 7.144 4.293 1.00 0.00 H new ATOM 311 N VAL A 24 4.665 2.128 3.556 1.00 0.00 N ATOM 312 CA VAL A 24 4.157 0.764 3.630 1.00 0.00 C ATOM 313 C VAL A 24 3.517 0.487 4.986 1.00 0.00 C ATOM 314 O VAL A 24 4.165 0.610 6.025 1.00 0.00 O ATOM 315 CB VAL A 24 5.275 -0.266 3.383 1.00 0.00 C ATOM 316 CG1 VAL A 24 4.695 -1.668 3.265 1.00 0.00 C ATOM 317 CG2 VAL A 24 6.071 0.096 2.139 1.00 0.00 C ATOM 0 H VAL A 24 5.682 2.200 3.565 1.00 0.00 H new ATOM 0 HA VAL A 24 3.403 0.666 2.849 1.00 0.00 H new ATOM 0 HB VAL A 24 5.953 -0.249 4.237 1.00 0.00 H new ATOM 0 HG11 VAL A 24 5.500 -2.381 3.091 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.175 -1.926 4.188 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.993 -1.702 2.432 1.00 0.00 H new ATOM 0 HG21 VAL A 24 6.856 -0.644 1.981 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.408 0.111 1.274 1.00 0.00 H new ATOM 0 HG23 VAL A 24 6.521 1.080 2.268 1.00 0.00 H new ATOM 327 N ARG A 25 2.243 0.114 4.968 1.00 0.00 N ATOM 328 CA ARG A 25 1.513 -0.180 6.197 1.00 0.00 C ATOM 329 C ARG A 25 1.299 -1.682 6.357 1.00 0.00 C ATOM 330 O ARG A 25 1.237 -2.193 7.475 1.00 0.00 O ATOM 331 CB ARG A 25 0.166 0.543 6.200 1.00 0.00 C ATOM 332 CG ARG A 25 0.283 2.050 6.365 1.00 0.00 C ATOM 333 CD ARG A 25 0.940 2.415 7.686 1.00 0.00 C ATOM 334 NE ARG A 25 0.938 3.858 7.917 1.00 0.00 N ATOM 335 CZ ARG A 25 1.650 4.457 8.869 1.00 0.00 C ATOM 336 NH1 ARG A 25 2.422 3.743 9.679 1.00 0.00 N ATOM 337 NH2 ARG A 25 1.591 5.774 9.011 1.00 0.00 N ATOM 0 H ARG A 25 1.693 0.008 4.116 1.00 0.00 H new ATOM 0 HA ARG A 25 2.109 0.175 7.038 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -0.354 0.328 5.267 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -0.449 0.144 7.007 1.00 0.00 H new ATOM 0 HG2 ARG A 25 0.865 2.463 5.541 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -0.708 2.501 6.313 1.00 0.00 H new ATOM 0 HD2 ARG A 25 0.416 1.916 8.502 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.966 2.048 7.694 1.00 0.00 H new ATOM 0 HE ARG A 25 0.357 4.440 7.314 1.00 0.00 H new ATOM 0 HH11 ARG A 25 2.472 2.730 9.574 1.00 0.00 H new ATOM 0 HH12 ARG A 25 2.965 4.208 10.407 1.00 0.00 H new ATOM 0 HH21 ARG A 25 1.000 6.328 8.391 1.00 0.00 H new ATOM 0 HH22 ARG A 25 2.136 6.233 9.740 1.00 0.00 H new ATOM 351 N TYR A 26 1.188 -2.382 5.233 1.00 0.00 N ATOM 352 CA TYR A 26 0.980 -3.826 5.250 1.00 0.00 C ATOM 353 C TYR A 26 1.811 -4.507 4.168 1.00 0.00 C ATOM 354 O TYR A 26 1.963 -3.981 3.066 1.00 0.00 O ATOM 355 CB TYR A 26 -0.501 -4.151 5.052 1.00 0.00 C ATOM 356 CG TYR A 26 -0.897 -5.516 5.570 1.00 0.00 C ATOM 357 CD1 TYR A 26 -0.469 -5.958 6.816 1.00 0.00 C ATOM 358 CD2 TYR A 26 -1.695 -6.362 4.811 1.00 0.00 C ATOM 359 CE1 TYR A 26 -0.828 -7.205 7.291 1.00 0.00 C ATOM 360 CE2 TYR A 26 -2.059 -7.611 5.281 1.00 0.00 C ATOM 361 CZ TYR A 26 -1.622 -8.028 6.520 1.00 0.00 C ATOM 362 OH TYR A 26 -1.981 -9.270 6.991 1.00 0.00 O ATOM 0 H TYR A 26 1.238 -1.974 4.300 1.00 0.00 H new ATOM 0 HA TYR A 26 1.301 -4.203 6.221 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -1.101 -3.393 5.555 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -0.738 -4.092 3.990 1.00 0.00 H new ATOM 0 HD1 TYR A 26 0.154 -5.317 7.422 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -2.037 -6.040 3.839 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -0.488 -7.534 8.262 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -2.683 -8.256 4.680 1.00 0.00 H new ATOM 0 HH TYR A 26 -2.542 -9.722 6.327 1.00 0.00 H new ATOM 372 N VAL A 27 2.347 -5.680 4.490 1.00 0.00 N ATOM 373 CA VAL A 27 3.163 -6.432 3.546 1.00 0.00 C ATOM 374 C VAL A 27 2.889 -7.928 3.655 1.00 0.00 C ATOM 375 O VAL A 27 2.911 -8.496 4.747 1.00 0.00 O ATOM 376 CB VAL A 27 4.665 -6.178 3.774 1.00 0.00 C ATOM 377 CG1 VAL A 27 5.490 -6.821 2.671 1.00 0.00 C ATOM 378 CG2 VAL A 27 4.946 -4.686 3.861 1.00 0.00 C ATOM 0 H VAL A 27 2.230 -6.130 5.398 1.00 0.00 H new ATOM 0 HA VAL A 27 2.892 -6.087 2.548 1.00 0.00 H new ATOM 0 HB VAL A 27 4.952 -6.634 4.721 1.00 0.00 H new ATOM 0 HG11 VAL A 27 6.548 -6.630 2.850 1.00 0.00 H new ATOM 0 HG12 VAL A 27 5.311 -7.896 2.663 1.00 0.00 H new ATOM 0 HG13 VAL A 27 5.203 -6.398 1.708 1.00 0.00 H new ATOM 0 HG21 VAL A 27 6.012 -4.525 4.022 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.643 -4.204 2.932 1.00 0.00 H new ATOM 0 HG23 VAL A 27 4.385 -4.258 4.692 1.00 0.00 H new ATOM 388 N GLY A 28 2.631 -8.562 2.515 1.00 0.00 N ATOM 389 CA GLY A 28 2.356 -9.986 2.504 1.00 0.00 C ATOM 390 C GLY A 28 1.399 -10.384 1.399 1.00 0.00 C ATOM 391 O GLY A 28 1.340 -9.734 0.355 1.00 0.00 O ATOM 0 H GLY A 28 2.608 -8.114 1.599 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.292 -10.532 2.384 1.00 0.00 H new ATOM 0 HA3 GLY A 28 1.937 -10.279 3.466 1.00 0.00 H new ATOM 395 N GLU A 29 0.646 -11.455 1.628 1.00 0.00 N ATOM 396 CA GLU A 29 -0.314 -11.939 0.643 1.00 0.00 C ATOM 397 C GLU A 29 -1.743 -11.621 1.072 1.00 0.00 C ATOM 398 O GLU A 29 -2.053 -11.596 2.263 1.00 0.00 O ATOM 399 CB GLU A 29 -0.154 -13.447 0.443 1.00 0.00 C ATOM 400 CG GLU A 29 0.964 -13.819 -0.516 1.00 0.00 C ATOM 401 CD GLU A 29 0.914 -15.275 -0.933 1.00 0.00 C ATOM 402 OE1 GLU A 29 -0.197 -15.777 -1.205 1.00 0.00 O ATOM 403 OE2 GLU A 29 1.986 -15.914 -0.988 1.00 0.00 O ATOM 0 H GLU A 29 0.682 -12.004 2.487 1.00 0.00 H new ATOM 0 HA GLU A 29 -0.116 -11.430 -0.300 1.00 0.00 H new ATOM 0 HB2 GLU A 29 0.037 -13.915 1.409 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -1.093 -13.857 0.070 1.00 0.00 H new ATOM 0 HG2 GLU A 29 0.902 -13.189 -1.403 1.00 0.00 H new ATOM 0 HG3 GLU A 29 1.925 -13.613 -0.045 1.00 0.00 H new ATOM 410 N THR A 30 -2.608 -11.377 0.094 1.00 0.00 N ATOM 411 CA THR A 30 -4.005 -11.060 0.371 1.00 0.00 C ATOM 412 C THR A 30 -4.880 -12.302 0.242 1.00 0.00 C ATOM 413 O THR A 30 -4.395 -13.384 -0.088 1.00 0.00 O ATOM 414 CB THR A 30 -4.501 -9.972 -0.582 1.00 0.00 C ATOM 415 OG1 THR A 30 -4.197 -10.303 -1.925 1.00 0.00 O ATOM 416 CG2 THR A 30 -3.905 -8.610 -0.299 1.00 0.00 C ATOM 0 H THR A 30 -2.367 -11.392 -0.897 1.00 0.00 H new ATOM 0 HA THR A 30 -4.073 -10.694 1.396 1.00 0.00 H new ATOM 0 HB THR A 30 -5.578 -9.920 -0.423 1.00 0.00 H new ATOM 0 HG1 THR A 30 -3.502 -9.700 -2.261 1.00 0.00 H new ATOM 0 HG21 THR A 30 -4.299 -7.885 -1.011 1.00 0.00 H new ATOM 0 HG22 THR A 30 -4.165 -8.302 0.714 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.820 -8.660 -0.395 1.00 0.00 H new ATOM 424 N ASP A 31 -6.172 -12.140 0.505 1.00 0.00 N ATOM 425 CA ASP A 31 -7.116 -13.248 0.419 1.00 0.00 C ATOM 426 C ASP A 31 -8.083 -13.049 -0.743 1.00 0.00 C ATOM 427 O ASP A 31 -8.483 -14.009 -1.403 1.00 0.00 O ATOM 428 CB ASP A 31 -7.894 -13.387 1.729 1.00 0.00 C ATOM 429 CG ASP A 31 -8.104 -14.834 2.126 1.00 0.00 C ATOM 430 OD1 ASP A 31 -7.122 -15.605 2.105 1.00 0.00 O ATOM 431 OD2 ASP A 31 -9.252 -15.198 2.458 1.00 0.00 O ATOM 0 H ASP A 31 -6.590 -11.251 0.780 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.549 -14.163 0.244 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -7.357 -12.869 2.524 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -8.862 -12.897 1.627 1.00 0.00 H new ATOM 436 N PHE A 32 -8.457 -11.797 -0.988 1.00 0.00 N ATOM 437 CA PHE A 32 -9.378 -11.472 -2.071 1.00 0.00 C ATOM 438 C PHE A 32 -8.700 -11.630 -3.427 1.00 0.00 C ATOM 439 O PHE A 32 -9.309 -12.104 -4.386 1.00 0.00 O ATOM 440 CB PHE A 32 -9.901 -10.044 -1.911 1.00 0.00 C ATOM 441 CG PHE A 32 -8.829 -8.996 -2.007 1.00 0.00 C ATOM 442 CD1 PHE A 32 -8.105 -8.621 -0.887 1.00 0.00 C ATOM 443 CD2 PHE A 32 -8.543 -8.389 -3.219 1.00 0.00 C ATOM 444 CE1 PHE A 32 -7.118 -7.657 -0.973 1.00 0.00 C ATOM 445 CE2 PHE A 32 -7.557 -7.425 -3.311 1.00 0.00 C ATOM 446 CZ PHE A 32 -6.843 -7.059 -2.186 1.00 0.00 C ATOM 0 H PHE A 32 -8.136 -10.991 -0.451 1.00 0.00 H new ATOM 0 HA PHE A 32 -10.217 -12.166 -2.023 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -10.653 -9.854 -2.677 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -10.399 -9.955 -0.946 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -8.314 -9.087 0.064 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -9.097 -8.672 -4.102 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -6.563 -7.372 -0.092 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -7.345 -6.958 -4.261 1.00 0.00 H new ATOM 0 HZ PHE A 32 -6.071 -6.307 -2.256 1.00 0.00 H new ATOM 456 N ALA A 33 -7.434 -11.228 -3.500 1.00 0.00 N ATOM 457 CA ALA A 33 -6.672 -11.326 -4.740 1.00 0.00 C ATOM 458 C ALA A 33 -5.490 -12.276 -4.584 1.00 0.00 C ATOM 459 O ALA A 33 -4.758 -12.217 -3.597 1.00 0.00 O ATOM 460 CB ALA A 33 -6.191 -9.948 -5.171 1.00 0.00 C ATOM 0 H ALA A 33 -6.915 -10.832 -2.716 1.00 0.00 H new ATOM 0 HA ALA A 33 -7.328 -11.729 -5.512 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -5.624 -10.034 -6.098 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -7.050 -9.296 -5.331 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -5.554 -9.525 -4.394 1.00 0.00 H new ATOM 466 N LYS A 34 -5.311 -13.153 -5.566 1.00 0.00 N ATOM 467 CA LYS A 34 -4.217 -14.119 -5.538 1.00 0.00 C ATOM 468 C LYS A 34 -2.881 -13.433 -5.801 1.00 0.00 C ATOM 469 O LYS A 34 -2.820 -12.406 -6.476 1.00 0.00 O ATOM 470 CB LYS A 34 -4.453 -15.217 -6.577 1.00 0.00 C ATOM 471 CG LYS A 34 -5.816 -15.879 -6.462 1.00 0.00 C ATOM 472 CD LYS A 34 -5.924 -16.726 -5.202 1.00 0.00 C ATOM 473 CE LYS A 34 -6.039 -18.206 -5.532 1.00 0.00 C ATOM 474 NZ LYS A 34 -7.449 -18.681 -5.467 1.00 0.00 N ATOM 0 H LYS A 34 -5.908 -13.215 -6.391 1.00 0.00 H new ATOM 0 HA LYS A 34 -4.186 -14.568 -4.545 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.348 -14.790 -7.575 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -3.679 -15.977 -6.473 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -6.593 -15.114 -6.455 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.992 -16.504 -7.337 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.049 -16.559 -4.574 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.794 -16.412 -4.625 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -5.640 -18.388 -6.530 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -5.429 -18.782 -4.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -7.485 -19.694 -5.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -7.822 -18.531 -4.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -8.026 -18.149 -6.150 1.00 0.00 H new ATOM 488 N GLY A 35 -1.810 -14.008 -5.261 1.00 0.00 N ATOM 489 CA GLY A 35 -0.489 -13.439 -5.449 1.00 0.00 C ATOM 490 C GLY A 35 -0.021 -12.649 -4.242 1.00 0.00 C ATOM 491 O GLY A 35 -0.529 -12.836 -3.136 1.00 0.00 O ATOM 0 H GLY A 35 -1.834 -14.858 -4.697 1.00 0.00 H new ATOM 0 HA2 GLY A 35 0.222 -14.239 -5.654 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -0.498 -12.789 -6.324 1.00 0.00 H new ATOM 495 N GLU A 36 0.949 -11.766 -4.454 1.00 0.00 N ATOM 496 CA GLU A 36 1.485 -10.946 -3.374 1.00 0.00 C ATOM 497 C GLU A 36 0.982 -9.509 -3.482 1.00 0.00 C ATOM 498 O GLU A 36 0.819 -8.979 -4.581 1.00 0.00 O ATOM 499 CB GLU A 36 3.016 -10.970 -3.400 1.00 0.00 C ATOM 500 CG GLU A 36 3.632 -11.707 -2.221 1.00 0.00 C ATOM 501 CD GLU A 36 4.264 -13.025 -2.621 1.00 0.00 C ATOM 502 OE1 GLU A 36 3.678 -13.731 -3.470 1.00 0.00 O ATOM 503 OE2 GLU A 36 5.343 -13.353 -2.087 1.00 0.00 O ATOM 0 H GLU A 36 1.380 -11.600 -5.364 1.00 0.00 H new ATOM 0 HA GLU A 36 1.139 -11.361 -2.427 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.348 -11.440 -4.326 1.00 0.00 H new ATOM 0 HB3 GLU A 36 3.387 -9.945 -3.412 1.00 0.00 H new ATOM 0 HG2 GLU A 36 4.387 -11.073 -1.756 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.863 -11.890 -1.470 1.00 0.00 H new ATOM 510 N TRP A 37 0.738 -8.886 -2.335 1.00 0.00 N ATOM 511 CA TRP A 37 0.253 -7.511 -2.300 1.00 0.00 C ATOM 512 C TRP A 37 0.925 -6.726 -1.177 1.00 0.00 C ATOM 513 O TRP A 37 1.431 -7.306 -0.218 1.00 0.00 O ATOM 514 CB TRP A 37 -1.265 -7.488 -2.116 1.00 0.00 C ATOM 515 CG TRP A 37 -2.016 -7.960 -3.324 1.00 0.00 C ATOM 516 CD1 TRP A 37 -2.261 -9.254 -3.683 1.00 0.00 C ATOM 517 CD2 TRP A 37 -2.621 -7.142 -4.332 1.00 0.00 C ATOM 518 NE1 TRP A 37 -2.978 -9.292 -4.853 1.00 0.00 N ATOM 519 CE2 TRP A 37 -3.213 -8.008 -5.272 1.00 0.00 C ATOM 520 CE3 TRP A 37 -2.719 -5.762 -4.533 1.00 0.00 C ATOM 521 CZ2 TRP A 37 -3.893 -7.539 -6.392 1.00 0.00 C ATOM 522 CZ3 TRP A 37 -3.395 -5.298 -5.645 1.00 0.00 C ATOM 523 CH2 TRP A 37 -3.974 -6.183 -6.562 1.00 0.00 C ATOM 0 H TRP A 37 0.868 -9.311 -1.417 1.00 0.00 H new ATOM 0 HA TRP A 37 0.504 -7.039 -3.250 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -1.530 -8.114 -1.264 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -1.579 -6.473 -1.875 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -1.938 -10.122 -3.127 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -3.286 -10.138 -5.333 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -2.274 -5.071 -3.832 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -4.340 -8.220 -7.101 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -3.478 -4.234 -5.810 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -4.495 -5.788 -7.421 1.00 0.00 H new ATOM 534 N CYS A 38 0.924 -5.404 -1.305 1.00 0.00 N ATOM 535 CA CYS A 38 1.534 -4.539 -0.301 1.00 0.00 C ATOM 536 C CYS A 38 0.690 -3.287 -0.076 1.00 0.00 C ATOM 537 O CYS A 38 0.466 -2.505 -0.999 1.00 0.00 O ATOM 538 CB CYS A 38 2.948 -4.144 -0.730 1.00 0.00 C ATOM 539 SG CYS A 38 4.129 -4.034 0.635 1.00 0.00 S ATOM 0 H CYS A 38 0.508 -4.908 -2.093 1.00 0.00 H new ATOM 0 HA CYS A 38 1.587 -5.093 0.636 1.00 0.00 H new ATOM 0 HB2 CYS A 38 3.313 -4.872 -1.455 1.00 0.00 H new ATOM 0 HB3 CYS A 38 2.906 -3.181 -1.239 1.00 0.00 H new ATOM 0 HG CYS A 38 4.609 -2.828 0.697 1.00 0.00 H new ATOM 545 N GLY A 39 0.227 -3.107 1.156 1.00 0.00 N ATOM 546 CA GLY A 39 -0.586 -1.948 1.479 1.00 0.00 C ATOM 547 C GLY A 39 0.248 -0.711 1.743 1.00 0.00 C ATOM 548 O GLY A 39 0.954 -0.632 2.748 1.00 0.00 O ATOM 0 H GLY A 39 0.399 -3.741 1.936 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.274 -1.750 0.657 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.193 -2.167 2.357 1.00 0.00 H new ATOM 552 N VAL A 40 0.167 0.259 0.838 1.00 0.00 N ATOM 553 CA VAL A 40 0.919 1.500 0.977 1.00 0.00 C ATOM 554 C VAL A 40 -0.011 2.681 1.230 1.00 0.00 C ATOM 555 O VAL A 40 -0.878 2.988 0.412 1.00 0.00 O ATOM 556 CB VAL A 40 1.765 1.788 -0.278 1.00 0.00 C ATOM 557 CG1 VAL A 40 2.690 2.971 -0.039 1.00 0.00 C ATOM 558 CG2 VAL A 40 2.557 0.554 -0.682 1.00 0.00 C ATOM 0 H VAL A 40 -0.412 0.209 0.000 1.00 0.00 H new ATOM 0 HA VAL A 40 1.582 1.373 1.833 1.00 0.00 H new ATOM 0 HB VAL A 40 1.092 2.043 -1.097 1.00 0.00 H new ATOM 0 HG11 VAL A 40 3.279 3.159 -0.936 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.097 3.854 0.198 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.358 2.749 0.793 1.00 0.00 H new ATOM 0 HG21 VAL A 40 3.149 0.776 -1.570 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.221 0.265 0.133 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.870 -0.264 -0.899 1.00 0.00 H new ATOM 568 N GLU A 41 0.176 3.340 2.369 1.00 0.00 N ATOM 569 CA GLU A 41 -0.647 4.489 2.731 1.00 0.00 C ATOM 570 C GLU A 41 0.000 5.790 2.265 1.00 0.00 C ATOM 571 O GLU A 41 1.129 6.104 2.643 1.00 0.00 O ATOM 572 CB GLU A 41 -0.868 4.529 4.244 1.00 0.00 C ATOM 573 CG GLU A 41 -1.818 5.627 4.691 1.00 0.00 C ATOM 574 CD GLU A 41 -1.119 6.722 5.473 1.00 0.00 C ATOM 575 OE1 GLU A 41 -0.107 6.422 6.141 1.00 0.00 O ATOM 576 OE2 GLU A 41 -1.582 7.881 5.416 1.00 0.00 O ATOM 0 H GLU A 41 0.889 3.099 3.057 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.611 4.385 2.233 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.260 3.566 4.571 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.093 4.667 4.740 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.301 6.062 3.816 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.605 5.192 5.307 1.00 0.00 H new ATOM 583 N LEU A 42 -0.724 6.543 1.444 1.00 0.00 N ATOM 584 CA LEU A 42 -0.221 7.811 0.927 1.00 0.00 C ATOM 585 C LEU A 42 -0.333 8.909 1.979 1.00 0.00 C ATOM 586 O LEU A 42 -0.928 8.711 3.038 1.00 0.00 O ATOM 587 CB LEU A 42 -0.992 8.214 -0.332 1.00 0.00 C ATOM 588 CG LEU A 42 -0.820 7.272 -1.526 1.00 0.00 C ATOM 589 CD1 LEU A 42 -1.839 7.593 -2.608 1.00 0.00 C ATOM 590 CD2 LEU A 42 0.594 7.365 -2.077 1.00 0.00 C ATOM 0 H LEU A 42 -1.660 6.298 1.122 1.00 0.00 H new ATOM 0 HA LEU A 42 0.831 7.681 0.674 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.052 8.275 -0.086 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.676 9.214 -0.629 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.990 6.250 -1.188 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.702 6.914 -3.449 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.845 7.475 -2.206 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.701 8.620 -2.945 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.699 6.689 -2.925 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.792 8.387 -2.401 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.306 7.086 -1.300 1.00 0.00 H new ATOM 602 N ASP A 43 0.243 10.069 1.680 1.00 0.00 N ATOM 603 CA ASP A 43 0.207 11.200 2.600 1.00 0.00 C ATOM 604 C ASP A 43 -0.917 12.163 2.232 1.00 0.00 C ATOM 605 O ASP A 43 -1.500 12.814 3.099 1.00 0.00 O ATOM 606 CB ASP A 43 1.549 11.935 2.589 1.00 0.00 C ATOM 607 CG ASP A 43 2.570 11.286 3.503 1.00 0.00 C ATOM 608 OD1 ASP A 43 2.431 11.416 4.737 1.00 0.00 O ATOM 609 OD2 ASP A 43 3.511 10.647 2.983 1.00 0.00 O ATOM 0 H ASP A 43 0.740 10.250 0.808 1.00 0.00 H new ATOM 0 HA ASP A 43 0.019 10.817 3.603 1.00 0.00 H new ATOM 0 HB2 ASP A 43 1.939 11.959 1.571 1.00 0.00 H new ATOM 0 HB3 ASP A 43 1.396 12.970 2.896 1.00 0.00 H new ATOM 614 N GLU A 44 -1.216 12.249 0.939 1.00 0.00 N ATOM 615 CA GLU A 44 -2.271 13.132 0.455 1.00 0.00 C ATOM 616 C GLU A 44 -3.487 12.328 0.001 1.00 0.00 C ATOM 617 O GLU A 44 -3.366 11.160 -0.369 1.00 0.00 O ATOM 618 CB GLU A 44 -1.753 13.992 -0.699 1.00 0.00 C ATOM 619 CG GLU A 44 -0.600 14.903 -0.311 1.00 0.00 C ATOM 620 CD GLU A 44 -0.941 16.373 -0.456 1.00 0.00 C ATOM 621 OE1 GLU A 44 -1.514 16.946 0.494 1.00 0.00 O ATOM 622 OE2 GLU A 44 -0.635 16.951 -1.519 1.00 0.00 O ATOM 0 H GLU A 44 -0.742 11.718 0.208 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.574 13.782 1.276 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -1.432 13.340 -1.511 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -2.572 14.600 -1.083 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -0.314 14.701 0.721 1.00 0.00 H new ATOM 0 HG3 GLU A 44 0.265 14.672 -0.932 1.00 0.00 H new ATOM 629 N PRO A 45 -4.681 12.946 0.023 1.00 0.00 N ATOM 630 CA PRO A 45 -5.921 12.281 -0.388 1.00 0.00 C ATOM 631 C PRO A 45 -5.932 11.948 -1.877 1.00 0.00 C ATOM 632 O PRO A 45 -6.552 12.651 -2.676 1.00 0.00 O ATOM 633 CB PRO A 45 -7.008 13.308 -0.060 1.00 0.00 C ATOM 634 CG PRO A 45 -6.303 14.620 -0.050 1.00 0.00 C ATOM 635 CD PRO A 45 -4.915 14.338 0.449 1.00 0.00 C ATOM 0 HA PRO A 45 -6.057 11.326 0.119 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -7.804 13.293 -0.804 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -7.470 13.100 0.905 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -6.278 15.057 -1.048 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -6.814 15.333 0.598 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -4.184 15.020 0.015 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -4.847 14.445 1.532 1.00 0.00 H new ATOM 643 N LEU A 46 -5.242 10.873 -2.243 1.00 0.00 N ATOM 644 CA LEU A 46 -5.172 10.448 -3.636 1.00 0.00 C ATOM 645 C LEU A 46 -5.291 8.931 -3.747 1.00 0.00 C ATOM 646 O LEU A 46 -4.720 8.318 -4.649 1.00 0.00 O ATOM 647 CB LEU A 46 -3.860 10.916 -4.269 1.00 0.00 C ATOM 648 CG LEU A 46 -3.534 12.396 -4.063 1.00 0.00 C ATOM 649 CD1 LEU A 46 -2.031 12.622 -4.110 1.00 0.00 C ATOM 650 CD2 LEU A 46 -4.236 13.247 -5.110 1.00 0.00 C ATOM 0 H LEU A 46 -4.724 10.280 -1.595 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.007 10.901 -4.171 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.044 10.320 -3.861 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.898 10.714 -5.339 1.00 0.00 H new ATOM 0 HG LEU A 46 -3.895 12.695 -3.079 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.817 13.681 -3.962 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.551 12.041 -3.323 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -1.646 12.307 -5.080 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -3.993 14.297 -4.948 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.905 12.947 -6.104 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.314 13.108 -5.029 1.00 0.00 H new ATOM 662 N GLY A 47 -6.035 8.332 -2.823 1.00 0.00 N ATOM 663 CA GLY A 47 -6.215 6.892 -2.833 1.00 0.00 C ATOM 664 C GLY A 47 -7.649 6.488 -3.110 1.00 0.00 C ATOM 665 O GLY A 47 -8.306 7.061 -3.978 1.00 0.00 O ATOM 0 H GLY A 47 -6.517 8.818 -2.067 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -5.565 6.453 -3.590 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -5.905 6.484 -1.871 1.00 0.00 H new ATOM 669 N LYS A 48 -8.135 5.497 -2.369 1.00 0.00 N ATOM 670 CA LYS A 48 -9.500 5.014 -2.538 1.00 0.00 C ATOM 671 C LYS A 48 -9.872 4.039 -1.426 1.00 0.00 C ATOM 672 O LYS A 48 -10.980 4.082 -0.892 1.00 0.00 O ATOM 673 CB LYS A 48 -9.661 4.338 -3.901 1.00 0.00 C ATOM 674 CG LYS A 48 -8.818 3.083 -4.061 1.00 0.00 C ATOM 675 CD LYS A 48 -8.897 2.538 -5.478 1.00 0.00 C ATOM 676 CE LYS A 48 -10.265 1.942 -5.772 1.00 0.00 C ATOM 677 NZ LYS A 48 -10.355 0.520 -5.342 1.00 0.00 N ATOM 0 H LYS A 48 -7.603 5.013 -1.646 1.00 0.00 H new ATOM 0 HA LYS A 48 -10.171 5.871 -2.486 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -10.710 4.082 -4.049 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.393 5.048 -4.683 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.780 3.306 -3.813 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.158 2.323 -3.358 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.687 3.338 -6.188 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.130 1.777 -5.619 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -11.032 2.525 -5.262 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.469 2.012 -6.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -11.303 0.151 -5.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.640 -0.041 -5.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.185 0.456 -4.318 1.00 0.00 H new ATOM 691 N ASN A 49 -8.937 3.159 -1.081 1.00 0.00 N ATOM 692 CA ASN A 49 -9.165 2.173 -0.032 1.00 0.00 C ATOM 693 C ASN A 49 -8.755 2.725 1.330 1.00 0.00 C ATOM 694 O ASN A 49 -8.234 3.836 1.429 1.00 0.00 O ATOM 695 CB ASN A 49 -8.387 0.890 -0.330 1.00 0.00 C ATOM 696 CG ASN A 49 -8.851 0.217 -1.607 1.00 0.00 C ATOM 697 OD1 ASN A 49 -10.026 -0.115 -1.756 1.00 0.00 O ATOM 698 ND2 ASN A 49 -7.925 0.011 -2.537 1.00 0.00 N ATOM 0 H ASN A 49 -8.014 3.109 -1.513 1.00 0.00 H new ATOM 0 HA ASN A 49 -10.231 1.945 -0.007 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -7.325 1.122 -0.410 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -8.500 0.198 0.504 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -8.177 -0.439 -3.417 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -6.962 0.303 -2.371 1.00 0.00 H new ATOM 705 N ASP A 50 -8.994 1.942 2.376 1.00 0.00 N ATOM 706 CA ASP A 50 -8.649 2.354 3.732 1.00 0.00 C ATOM 707 C ASP A 50 -8.032 1.198 4.512 1.00 0.00 C ATOM 708 O ASP A 50 -8.343 0.989 5.685 1.00 0.00 O ATOM 709 CB ASP A 50 -9.890 2.873 4.460 1.00 0.00 C ATOM 710 CG ASP A 50 -10.974 1.819 4.579 1.00 0.00 C ATOM 711 OD1 ASP A 50 -11.780 1.688 3.634 1.00 0.00 O ATOM 712 OD2 ASP A 50 -11.016 1.125 5.617 1.00 0.00 O ATOM 0 H ASP A 50 -9.425 1.020 2.312 1.00 0.00 H new ATOM 0 HA ASP A 50 -7.913 3.156 3.666 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -9.608 3.214 5.456 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -10.285 3.738 3.927 1.00 0.00 H new ATOM 717 N GLY A 51 -7.154 0.448 3.853 1.00 0.00 N ATOM 718 CA GLY A 51 -6.506 -0.678 4.500 1.00 0.00 C ATOM 719 C GLY A 51 -7.498 -1.714 4.991 1.00 0.00 C ATOM 720 O GLY A 51 -7.235 -2.425 5.961 1.00 0.00 O ATOM 0 H GLY A 51 -6.880 0.600 2.882 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.813 -1.146 3.800 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.914 -0.318 5.342 1.00 0.00 H new ATOM 724 N ALA A 52 -8.642 -1.801 4.319 1.00 0.00 N ATOM 725 CA ALA A 52 -9.676 -2.757 4.692 1.00 0.00 C ATOM 726 C ALA A 52 -10.344 -3.352 3.457 1.00 0.00 C ATOM 727 O ALA A 52 -10.721 -2.631 2.534 1.00 0.00 O ATOM 728 CB ALA A 52 -10.712 -2.092 5.585 1.00 0.00 C ATOM 0 H ALA A 52 -8.875 -1.220 3.513 1.00 0.00 H new ATOM 0 HA ALA A 52 -9.203 -3.569 5.245 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -11.479 -2.818 5.856 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -10.229 -1.720 6.489 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -11.172 -1.260 5.051 1.00 0.00 H new ATOM 734 N VAL A 53 -10.486 -4.674 3.445 1.00 0.00 N ATOM 735 CA VAL A 53 -11.108 -5.366 2.324 1.00 0.00 C ATOM 736 C VAL A 53 -12.119 -6.400 2.807 1.00 0.00 C ATOM 737 O VAL A 53 -11.808 -7.237 3.654 1.00 0.00 O ATOM 738 CB VAL A 53 -10.057 -6.065 1.442 1.00 0.00 C ATOM 739 CG1 VAL A 53 -10.697 -6.609 0.174 1.00 0.00 C ATOM 740 CG2 VAL A 53 -8.920 -5.111 1.107 1.00 0.00 C ATOM 0 H VAL A 53 -10.178 -5.287 4.200 1.00 0.00 H new ATOM 0 HA VAL A 53 -11.622 -4.609 1.732 1.00 0.00 H new ATOM 0 HB VAL A 53 -9.644 -6.905 2.001 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -9.938 -7.099 -0.435 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -11.471 -7.329 0.437 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -11.141 -5.789 -0.390 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -8.187 -5.623 0.483 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -9.315 -4.249 0.570 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -8.442 -4.777 2.028 1.00 0.00 H new ATOM 750 N ALA A 54 -13.329 -6.336 2.261 1.00 0.00 N ATOM 751 CA ALA A 54 -14.386 -7.267 2.636 1.00 0.00 C ATOM 752 C ALA A 54 -14.694 -7.184 4.128 1.00 0.00 C ATOM 753 O ALA A 54 -15.158 -8.151 4.731 1.00 0.00 O ATOM 754 CB ALA A 54 -13.996 -8.688 2.255 1.00 0.00 C ATOM 0 H ALA A 54 -13.601 -5.649 1.558 1.00 0.00 H new ATOM 0 HA ALA A 54 -15.288 -6.989 2.092 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -14.794 -9.373 2.541 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -13.837 -8.745 1.178 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -13.078 -8.965 2.773 1.00 0.00 H new ATOM 760 N GLY A 55 -14.433 -6.020 4.718 1.00 0.00 N ATOM 761 CA GLY A 55 -14.689 -5.835 6.135 1.00 0.00 C ATOM 762 C GLY A 55 -13.457 -6.073 6.986 1.00 0.00 C ATOM 763 O GLY A 55 -13.304 -5.471 8.049 1.00 0.00 O ATOM 0 H GLY A 55 -14.050 -5.204 4.241 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -15.054 -4.822 6.305 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -15.480 -6.516 6.449 1.00 0.00 H new ATOM 767 N THR A 56 -12.577 -6.952 6.518 1.00 0.00 N ATOM 768 CA THR A 56 -11.353 -7.268 7.244 1.00 0.00 C ATOM 769 C THR A 56 -10.336 -6.138 7.116 1.00 0.00 C ATOM 770 O THR A 56 -9.751 -5.934 6.053 1.00 0.00 O ATOM 771 CB THR A 56 -10.749 -8.574 6.725 1.00 0.00 C ATOM 772 OG1 THR A 56 -11.765 -9.525 6.458 1.00 0.00 O ATOM 773 CG2 THR A 56 -9.770 -9.206 7.689 1.00 0.00 C ATOM 0 H THR A 56 -12.689 -7.458 5.639 1.00 0.00 H new ATOM 0 HA THR A 56 -11.607 -7.387 8.297 1.00 0.00 H new ATOM 0 HB THR A 56 -10.213 -8.303 5.815 1.00 0.00 H new ATOM 0 HG1 THR A 56 -11.359 -10.353 6.125 1.00 0.00 H new ATOM 0 HG21 THR A 56 -9.380 -10.128 7.259 1.00 0.00 H new ATOM 0 HG22 THR A 56 -8.947 -8.516 7.876 1.00 0.00 H new ATOM 0 HG23 THR A 56 -10.277 -9.430 8.628 1.00 0.00 H new ATOM 781 N ARG A 57 -10.131 -5.407 8.207 1.00 0.00 N ATOM 782 CA ARG A 57 -9.184 -4.298 8.216 1.00 0.00 C ATOM 783 C ARG A 57 -7.846 -4.730 8.805 1.00 0.00 C ATOM 784 O ARG A 57 -7.688 -4.806 10.024 1.00 0.00 O ATOM 785 CB ARG A 57 -9.751 -3.123 9.017 1.00 0.00 C ATOM 786 CG ARG A 57 -8.855 -1.896 9.012 1.00 0.00 C ATOM 787 CD ARG A 57 -9.666 -0.612 8.918 1.00 0.00 C ATOM 788 NE ARG A 57 -10.716 -0.553 9.932 1.00 0.00 N ATOM 789 CZ ARG A 57 -11.763 0.266 9.868 1.00 0.00 C ATOM 790 NH1 ARG A 57 -11.903 1.096 8.840 1.00 0.00 N ATOM 791 NH2 ARG A 57 -12.673 0.256 10.832 1.00 0.00 N ATOM 0 H ARG A 57 -10.607 -5.562 9.095 1.00 0.00 H new ATOM 0 HA ARG A 57 -9.022 -3.983 7.185 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -10.725 -2.853 8.610 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -9.913 -3.440 10.047 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -8.252 -1.881 9.920 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -8.163 -1.953 8.171 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -9.003 0.245 9.033 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -10.114 -0.538 7.927 1.00 0.00 H new ATOM 0 HE ARG A 57 -10.642 -1.176 10.736 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -11.206 1.107 8.095 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -12.707 1.722 8.796 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -12.571 -0.380 11.623 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -13.475 0.884 10.783 1.00 0.00 H new ATOM 805 N TYR A 58 -6.885 -5.014 7.932 1.00 0.00 N ATOM 806 CA TYR A 58 -5.560 -5.439 8.365 1.00 0.00 C ATOM 807 C TYR A 58 -4.883 -4.352 9.192 1.00 0.00 C ATOM 808 O TYR A 58 -4.305 -4.627 10.244 1.00 0.00 O ATOM 809 CB TYR A 58 -4.693 -5.790 7.154 1.00 0.00 C ATOM 810 CG TYR A 58 -5.393 -6.670 6.143 1.00 0.00 C ATOM 811 CD1 TYR A 58 -5.559 -8.030 6.373 1.00 0.00 C ATOM 812 CD2 TYR A 58 -5.887 -6.141 4.958 1.00 0.00 C ATOM 813 CE1 TYR A 58 -6.198 -8.836 5.452 1.00 0.00 C ATOM 814 CE2 TYR A 58 -6.528 -6.940 4.030 1.00 0.00 C ATOM 815 CZ TYR A 58 -6.681 -8.288 4.283 1.00 0.00 C ATOM 816 OH TYR A 58 -7.317 -9.088 3.362 1.00 0.00 O ATOM 0 H TYR A 58 -7.000 -4.957 6.920 1.00 0.00 H new ATOM 0 HA TYR A 58 -5.676 -6.325 8.989 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -4.377 -4.869 6.664 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -3.790 -6.294 7.498 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -5.182 -8.464 7.287 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -5.768 -5.086 4.758 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -6.319 -9.891 5.647 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -6.906 -6.512 3.113 1.00 0.00 H new ATOM 0 HH TYR A 58 -7.597 -8.545 2.595 1.00 0.00 H new ATOM 826 N PHE A 59 -4.957 -3.116 8.710 1.00 0.00 N ATOM 827 CA PHE A 59 -4.351 -1.987 9.405 1.00 0.00 C ATOM 828 C PHE A 59 -5.286 -0.781 9.406 1.00 0.00 C ATOM 829 O PHE A 59 -5.917 -0.472 8.396 1.00 0.00 O ATOM 830 CB PHE A 59 -3.020 -1.612 8.752 1.00 0.00 C ATOM 831 CG PHE A 59 -3.143 -1.260 7.297 1.00 0.00 C ATOM 832 CD1 PHE A 59 -3.178 -2.253 6.330 1.00 0.00 C ATOM 833 CD2 PHE A 59 -3.224 0.063 6.896 1.00 0.00 C ATOM 834 CE1 PHE A 59 -3.292 -1.933 4.991 1.00 0.00 C ATOM 835 CE2 PHE A 59 -3.336 0.391 5.558 1.00 0.00 C ATOM 836 CZ PHE A 59 -3.371 -0.609 4.605 1.00 0.00 C ATOM 0 H PHE A 59 -5.431 -2.871 7.841 1.00 0.00 H new ATOM 0 HA PHE A 59 -4.170 -2.285 10.438 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -2.588 -0.766 9.287 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -2.325 -2.445 8.858 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -3.115 -3.289 6.627 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -3.199 0.848 7.638 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -3.319 -2.716 4.248 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -3.396 1.427 5.258 1.00 0.00 H new ATOM 0 HZ PHE A 59 -3.460 -0.356 3.559 1.00 0.00 H new ATOM 846 N GLN A 60 -5.370 -0.105 10.548 1.00 0.00 N ATOM 847 CA GLN A 60 -6.229 1.066 10.680 1.00 0.00 C ATOM 848 C GLN A 60 -5.698 2.227 9.845 1.00 0.00 C ATOM 849 O GLN A 60 -4.542 2.627 9.984 1.00 0.00 O ATOM 850 CB GLN A 60 -6.332 1.485 12.148 1.00 0.00 C ATOM 851 CG GLN A 60 -7.246 2.678 12.377 1.00 0.00 C ATOM 852 CD GLN A 60 -8.708 2.343 12.159 1.00 0.00 C ATOM 853 OE1 GLN A 60 -9.283 1.523 12.874 1.00 0.00 O ATOM 854 NE2 GLN A 60 -9.318 2.978 11.163 1.00 0.00 N ATOM 0 H GLN A 60 -4.854 -0.348 11.394 1.00 0.00 H new ATOM 0 HA GLN A 60 -7.221 0.802 10.313 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -6.696 0.641 12.733 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -5.336 1.724 12.520 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -7.109 3.046 13.394 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -6.958 3.486 11.704 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -8.802 3.650 10.595 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -10.302 2.793 10.967 1.00 0.00 H new ATOM 863 N CYS A 61 -6.549 2.765 8.977 1.00 0.00 N ATOM 864 CA CYS A 61 -6.164 3.879 8.120 1.00 0.00 C ATOM 865 C CYS A 61 -7.397 4.576 7.545 1.00 0.00 C ATOM 866 O CYS A 61 -8.354 3.917 7.140 1.00 0.00 O ATOM 867 CB CYS A 61 -5.265 3.387 6.984 1.00 0.00 C ATOM 868 SG CYS A 61 -3.497 3.623 7.287 1.00 0.00 S ATOM 0 H CYS A 61 -7.510 2.447 8.849 1.00 0.00 H new ATOM 0 HA CYS A 61 -5.612 4.598 8.726 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -5.456 2.327 6.817 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -5.538 3.908 6.067 1.00 0.00 H new ATOM 0 HG CYS A 61 -3.222 3.309 8.518 1.00 0.00 H new ATOM 874 N PRO A 62 -7.392 5.922 7.496 1.00 0.00 N ATOM 875 CA PRO A 62 -8.520 6.693 6.962 1.00 0.00 C ATOM 876 C PRO A 62 -8.776 6.392 5.488 1.00 0.00 C ATOM 877 O PRO A 62 -7.959 5.752 4.826 1.00 0.00 O ATOM 878 CB PRO A 62 -8.085 8.155 7.137 1.00 0.00 C ATOM 879 CG PRO A 62 -6.978 8.120 8.135 1.00 0.00 C ATOM 880 CD PRO A 62 -6.299 6.795 7.954 1.00 0.00 C ATOM 0 HA PRO A 62 -9.451 6.452 7.475 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -7.749 8.581 6.192 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -8.912 8.772 7.489 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -6.280 8.941 7.972 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -7.364 8.225 9.149 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -5.494 6.851 7.222 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -5.859 6.436 8.885 1.00 0.00 H new ATOM 888 N PRO A 63 -9.918 6.854 4.951 1.00 0.00 N ATOM 889 CA PRO A 63 -10.276 6.631 3.547 1.00 0.00 C ATOM 890 C PRO A 63 -9.448 7.490 2.596 1.00 0.00 C ATOM 891 O PRO A 63 -8.986 8.569 2.964 1.00 0.00 O ATOM 892 CB PRO A 63 -11.748 7.039 3.490 1.00 0.00 C ATOM 893 CG PRO A 63 -11.902 8.043 4.579 1.00 0.00 C ATOM 894 CD PRO A 63 -10.949 7.628 5.668 1.00 0.00 C ATOM 0 HA PRO A 63 -10.092 5.603 3.236 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -12.004 7.464 2.520 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -12.403 6.182 3.645 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -11.671 9.046 4.220 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -12.928 8.065 4.947 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -10.521 8.492 6.176 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -11.447 7.025 6.428 1.00 0.00 H new ATOM 902 N LYS A 64 -9.263 7.001 1.374 1.00 0.00 N ATOM 903 CA LYS A 64 -8.489 7.725 0.371 1.00 0.00 C ATOM 904 C LYS A 64 -7.052 7.932 0.839 1.00 0.00 C ATOM 905 O LYS A 64 -6.413 8.924 0.493 1.00 0.00 O ATOM 906 CB LYS A 64 -9.139 9.078 0.072 1.00 0.00 C ATOM 907 CG LYS A 64 -10.291 8.994 -0.915 1.00 0.00 C ATOM 908 CD LYS A 64 -11.563 8.496 -0.248 1.00 0.00 C ATOM 909 CE LYS A 64 -11.807 7.024 -0.542 1.00 0.00 C ATOM 910 NZ LYS A 64 -12.600 6.831 -1.787 1.00 0.00 N ATOM 0 H LYS A 64 -9.638 6.108 1.054 1.00 0.00 H new ATOM 0 HA LYS A 64 -8.474 7.128 -0.541 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -9.501 9.512 1.004 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -8.382 9.756 -0.322 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -10.469 9.977 -1.352 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -10.022 8.325 -1.733 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -11.493 8.646 0.829 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -12.412 9.083 -0.597 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -10.851 6.509 -0.637 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -12.332 6.568 0.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -12.745 5.814 -1.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -13.523 7.300 -1.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -12.087 7.243 -2.593 1.00 0.00 H new ATOM 924 N PHE A 65 -6.551 6.987 1.629 1.00 0.00 N ATOM 925 CA PHE A 65 -5.189 7.067 2.146 1.00 0.00 C ATOM 926 C PHE A 65 -4.435 5.764 1.896 1.00 0.00 C ATOM 927 O PHE A 65 -3.284 5.775 1.463 1.00 0.00 O ATOM 928 CB PHE A 65 -5.207 7.382 3.643 1.00 0.00 C ATOM 929 CG PHE A 65 -5.170 8.853 3.946 1.00 0.00 C ATOM 930 CD1 PHE A 65 -3.976 9.554 3.894 1.00 0.00 C ATOM 931 CD2 PHE A 65 -6.330 9.533 4.281 1.00 0.00 C ATOM 932 CE1 PHE A 65 -3.940 10.907 4.171 1.00 0.00 C ATOM 933 CE2 PHE A 65 -6.299 10.886 4.559 1.00 0.00 C ATOM 934 CZ PHE A 65 -5.102 11.575 4.505 1.00 0.00 C ATOM 0 H PHE A 65 -7.067 6.158 1.925 1.00 0.00 H new ATOM 0 HA PHE A 65 -4.673 7.870 1.620 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.104 6.950 4.086 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -4.353 6.900 4.118 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.064 9.037 3.634 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -7.268 9.000 4.325 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -3.003 11.442 4.126 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -7.210 11.405 4.818 1.00 0.00 H new ATOM 0 HZ PHE A 65 -5.075 12.632 4.723 1.00 0.00 H new ATOM 944 N GLY A 66 -5.093 4.643 2.172 1.00 0.00 N ATOM 945 CA GLY A 66 -4.469 3.348 1.971 1.00 0.00 C ATOM 946 C GLY A 66 -4.745 2.779 0.593 1.00 0.00 C ATOM 947 O GLY A 66 -5.887 2.776 0.133 1.00 0.00 O ATOM 0 H GLY A 66 -6.047 4.608 2.531 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.392 3.441 2.113 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.832 2.652 2.727 1.00 0.00 H new ATOM 951 N LEU A 67 -3.697 2.298 -0.067 1.00 0.00 N ATOM 952 CA LEU A 67 -3.832 1.725 -1.401 1.00 0.00 C ATOM 953 C LEU A 67 -3.123 0.376 -1.487 1.00 0.00 C ATOM 954 O LEU A 67 -1.928 0.271 -1.210 1.00 0.00 O ATOM 955 CB LEU A 67 -3.261 2.681 -2.451 1.00 0.00 C ATOM 956 CG LEU A 67 -3.851 2.530 -3.853 1.00 0.00 C ATOM 957 CD1 LEU A 67 -5.118 3.362 -3.990 1.00 0.00 C ATOM 958 CD2 LEU A 67 -2.830 2.934 -4.905 1.00 0.00 C ATOM 0 H LEU A 67 -2.745 2.294 0.300 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.893 1.572 -1.598 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.422 3.705 -2.114 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.183 2.531 -2.509 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.110 1.483 -4.009 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.525 3.243 -4.994 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.854 3.028 -3.258 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.884 4.412 -3.816 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.266 2.821 -5.898 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.542 3.974 -4.752 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.949 2.297 -4.821 1.00 0.00 H new ATOM 970 N PHE A 68 -3.869 -0.654 -1.872 1.00 0.00 N ATOM 971 CA PHE A 68 -3.313 -1.998 -1.995 1.00 0.00 C ATOM 972 C PHE A 68 -2.813 -2.253 -3.413 1.00 0.00 C ATOM 973 O PHE A 68 -3.586 -2.213 -4.371 1.00 0.00 O ATOM 974 CB PHE A 68 -4.363 -3.043 -1.616 1.00 0.00 C ATOM 975 CG PHE A 68 -4.640 -3.108 -0.141 1.00 0.00 C ATOM 976 CD1 PHE A 68 -3.762 -3.753 0.715 1.00 0.00 C ATOM 977 CD2 PHE A 68 -5.780 -2.524 0.389 1.00 0.00 C ATOM 978 CE1 PHE A 68 -4.014 -3.814 2.072 1.00 0.00 C ATOM 979 CE2 PHE A 68 -6.038 -2.582 1.746 1.00 0.00 C ATOM 980 CZ PHE A 68 -5.154 -3.228 2.588 1.00 0.00 C ATOM 0 H PHE A 68 -4.860 -0.585 -2.104 1.00 0.00 H new ATOM 0 HA PHE A 68 -2.467 -2.078 -1.312 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -5.291 -2.821 -2.142 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.029 -4.023 -1.958 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -2.870 -4.214 0.317 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -6.474 -2.018 -0.265 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -3.321 -4.319 2.729 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -6.929 -2.123 2.147 1.00 0.00 H new ATOM 0 HZ PHE A 68 -5.354 -3.275 3.648 1.00 0.00 H new ATOM 990 N ALA A 69 -1.517 -2.515 -3.540 1.00 0.00 N ATOM 991 CA ALA A 69 -0.914 -2.776 -4.841 1.00 0.00 C ATOM 992 C ALA A 69 0.046 -3.962 -4.774 1.00 0.00 C ATOM 993 O ALA A 69 0.654 -4.220 -3.735 1.00 0.00 O ATOM 994 CB ALA A 69 -0.190 -1.538 -5.346 1.00 0.00 C ATOM 0 H ALA A 69 -0.864 -2.552 -2.757 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.713 -3.026 -5.539 1.00 0.00 H new ATOM 0 HB1 ALA A 69 0.255 -1.748 -6.318 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -0.899 -0.716 -5.442 1.00 0.00 H new ATOM 0 HB3 ALA A 69 0.593 -1.262 -4.640 1.00 0.00 H new ATOM 1000 N PRO A 70 0.196 -4.701 -5.887 1.00 0.00 N ATOM 1001 CA PRO A 70 1.088 -5.863 -5.948 1.00 0.00 C ATOM 1002 C PRO A 70 2.508 -5.525 -5.506 1.00 0.00 C ATOM 1003 O PRO A 70 2.963 -4.392 -5.662 1.00 0.00 O ATOM 1004 CB PRO A 70 1.068 -6.253 -7.428 1.00 0.00 C ATOM 1005 CG PRO A 70 -0.223 -5.721 -7.945 1.00 0.00 C ATOM 1006 CD PRO A 70 -0.490 -4.462 -7.170 1.00 0.00 C ATOM 0 HA PRO A 70 0.763 -6.661 -5.280 1.00 0.00 H new ATOM 0 HB2 PRO A 70 1.915 -5.822 -7.962 1.00 0.00 H new ATOM 0 HB3 PRO A 70 1.129 -7.334 -7.553 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -0.161 -5.516 -9.014 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -1.027 -6.444 -7.805 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -0.094 -3.584 -7.680 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -1.558 -4.295 -7.030 1.00 0.00 H new ATOM 1014 N ILE A 71 3.203 -6.514 -4.953 1.00 0.00 N ATOM 1015 CA ILE A 71 4.570 -6.320 -4.486 1.00 0.00 C ATOM 1016 C ILE A 71 5.481 -5.862 -5.623 1.00 0.00 C ATOM 1017 O ILE A 71 6.261 -4.923 -5.466 1.00 0.00 O ATOM 1018 CB ILE A 71 5.141 -7.610 -3.862 1.00 0.00 C ATOM 1019 CG1 ILE A 71 6.539 -7.356 -3.291 1.00 0.00 C ATOM 1020 CG2 ILE A 71 5.178 -8.731 -4.891 1.00 0.00 C ATOM 1021 CD1 ILE A 71 6.929 -8.324 -2.196 1.00 0.00 C ATOM 0 H ILE A 71 2.841 -7.458 -4.818 1.00 0.00 H new ATOM 0 HA ILE A 71 4.537 -5.544 -3.721 1.00 0.00 H new ATOM 0 HB ILE A 71 4.487 -7.916 -3.046 1.00 0.00 H new ATOM 0 HG12 ILE A 71 7.269 -7.419 -4.098 1.00 0.00 H new ATOM 0 HG13 ILE A 71 6.584 -6.340 -2.899 1.00 0.00 H new ATOM 0 HG21 ILE A 71 5.584 -9.633 -4.432 1.00 0.00 H new ATOM 0 HG22 ILE A 71 4.168 -8.929 -5.250 1.00 0.00 H new ATOM 0 HG23 ILE A 71 5.809 -8.435 -5.729 1.00 0.00 H new ATOM 0 HD11 ILE A 71 7.931 -8.085 -1.839 1.00 0.00 H new ATOM 0 HD12 ILE A 71 6.221 -8.245 -1.371 1.00 0.00 H new ATOM 0 HD13 ILE A 71 6.917 -9.341 -2.588 1.00 0.00 H new ATOM 1033 N HIS A 72 5.376 -6.532 -6.766 1.00 0.00 N ATOM 1034 CA HIS A 72 6.191 -6.190 -7.927 1.00 0.00 C ATOM 1035 C HIS A 72 5.861 -4.790 -8.439 1.00 0.00 C ATOM 1036 O HIS A 72 6.655 -4.178 -9.154 1.00 0.00 O ATOM 1037 CB HIS A 72 5.985 -7.217 -9.043 1.00 0.00 C ATOM 1038 CG HIS A 72 4.545 -7.474 -9.363 1.00 0.00 C ATOM 1039 ND1 HIS A 72 3.776 -8.424 -8.727 1.00 0.00 N ATOM 1040 CD2 HIS A 72 3.733 -6.886 -10.277 1.00 0.00 C ATOM 1041 CE1 HIS A 72 2.548 -8.384 -9.263 1.00 0.00 C ATOM 1042 NE2 HIS A 72 2.470 -7.466 -10.208 1.00 0.00 N ATOM 0 H HIS A 72 4.737 -7.313 -6.913 1.00 0.00 H new ATOM 0 HA HIS A 72 7.236 -6.203 -7.618 1.00 0.00 H new ATOM 0 HB2 HIS A 72 6.492 -6.870 -9.943 1.00 0.00 H new ATOM 0 HB3 HIS A 72 6.457 -8.156 -8.753 1.00 0.00 H new ATOM 0 HD2 HIS A 72 4.021 -6.093 -10.951 1.00 0.00 H new ATOM 0 HE1 HIS A 72 1.729 -9.020 -8.961 1.00 0.00 H new ATOM 0 HE2 HIS A 72 1.653 -7.230 -10.771 1.00 0.00 H new ATOM 1050 N LYS A 73 4.685 -4.286 -8.072 1.00 0.00 N ATOM 1051 CA LYS A 73 4.258 -2.958 -8.497 1.00 0.00 C ATOM 1052 C LYS A 73 4.568 -1.911 -7.430 1.00 0.00 C ATOM 1053 O LYS A 73 3.946 -0.849 -7.393 1.00 0.00 O ATOM 1054 CB LYS A 73 2.760 -2.958 -8.807 1.00 0.00 C ATOM 1055 CG LYS A 73 2.386 -3.818 -10.004 1.00 0.00 C ATOM 1056 CD LYS A 73 1.854 -2.978 -11.153 1.00 0.00 C ATOM 1057 CE LYS A 73 0.334 -2.932 -11.154 1.00 0.00 C ATOM 1058 NZ LYS A 73 -0.189 -1.862 -12.048 1.00 0.00 N ATOM 0 H LYS A 73 4.013 -4.777 -7.482 1.00 0.00 H new ATOM 0 HA LYS A 73 4.812 -2.700 -9.400 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.216 -3.313 -7.931 1.00 0.00 H new ATOM 0 HB3 LYS A 73 2.435 -1.934 -8.990 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.259 -4.379 -10.337 1.00 0.00 H new ATOM 0 HG3 LYS A 73 1.633 -4.548 -9.707 1.00 0.00 H new ATOM 0 HD2 LYS A 73 2.249 -1.965 -11.078 1.00 0.00 H new ATOM 0 HD3 LYS A 73 2.207 -3.389 -12.099 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -0.058 -3.897 -11.475 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -0.025 -2.764 -10.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -1.229 -1.864 -12.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 0.164 -0.938 -11.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 0.132 -2.036 -13.022 1.00 0.00 H new ATOM 1072 N VAL A 74 5.533 -2.213 -6.565 1.00 0.00 N ATOM 1073 CA VAL A 74 5.919 -1.292 -5.502 1.00 0.00 C ATOM 1074 C VAL A 74 7.358 -0.820 -5.681 1.00 0.00 C ATOM 1075 O VAL A 74 8.301 -1.583 -5.477 1.00 0.00 O ATOM 1076 CB VAL A 74 5.773 -1.942 -4.113 1.00 0.00 C ATOM 1077 CG1 VAL A 74 6.011 -0.916 -3.014 1.00 0.00 C ATOM 1078 CG2 VAL A 74 4.402 -2.583 -3.965 1.00 0.00 C ATOM 0 H VAL A 74 6.060 -3.086 -6.580 1.00 0.00 H new ATOM 0 HA VAL A 74 5.247 -0.436 -5.566 1.00 0.00 H new ATOM 0 HB VAL A 74 6.527 -2.724 -4.018 1.00 0.00 H new ATOM 0 HG11 VAL A 74 5.903 -1.394 -2.040 1.00 0.00 H new ATOM 0 HG12 VAL A 74 7.017 -0.508 -3.109 1.00 0.00 H new ATOM 0 HG13 VAL A 74 5.283 -0.110 -3.105 1.00 0.00 H new ATOM 0 HG21 VAL A 74 4.317 -3.037 -2.978 1.00 0.00 H new ATOM 0 HG22 VAL A 74 3.630 -1.822 -4.082 1.00 0.00 H new ATOM 0 HG23 VAL A 74 4.274 -3.350 -4.729 1.00 0.00 H new ATOM 1088 N ILE A 75 7.517 0.443 -6.063 1.00 0.00 N ATOM 1089 CA ILE A 75 8.842 1.017 -6.268 1.00 0.00 C ATOM 1090 C ILE A 75 9.394 1.600 -4.972 1.00 0.00 C ATOM 1091 O ILE A 75 8.666 2.226 -4.201 1.00 0.00 O ATOM 1092 CB ILE A 75 8.816 2.120 -7.343 1.00 0.00 C ATOM 1093 CG1 ILE A 75 8.082 1.630 -8.592 1.00 0.00 C ATOM 1094 CG2 ILE A 75 10.232 2.555 -7.690 1.00 0.00 C ATOM 1095 CD1 ILE A 75 6.607 1.967 -8.599 1.00 0.00 C ATOM 0 H ILE A 75 6.746 1.088 -6.237 1.00 0.00 H new ATOM 0 HA ILE A 75 9.489 0.207 -6.604 1.00 0.00 H new ATOM 0 HB ILE A 75 8.279 2.981 -6.945 1.00 0.00 H new ATOM 0 HG12 ILE A 75 8.550 2.068 -9.474 1.00 0.00 H new ATOM 0 HG13 ILE A 75 8.200 0.549 -8.672 1.00 0.00 H new ATOM 0 HG21 ILE A 75 10.197 3.335 -8.451 1.00 0.00 H new ATOM 0 HG22 ILE A 75 10.723 2.941 -6.797 1.00 0.00 H new ATOM 0 HG23 ILE A 75 10.792 1.701 -8.071 1.00 0.00 H new ATOM 0 HD11 ILE A 75 6.152 1.589 -9.514 1.00 0.00 H new ATOM 0 HD12 ILE A 75 6.125 1.507 -7.737 1.00 0.00 H new ATOM 0 HD13 ILE A 75 6.481 3.049 -8.551 1.00 0.00 H new ATOM 1107 N ARG A 76 10.685 1.389 -4.738 1.00 0.00 N ATOM 1108 CA ARG A 76 11.335 1.895 -3.534 1.00 0.00 C ATOM 1109 C ARG A 76 11.966 3.260 -3.789 1.00 0.00 C ATOM 1110 O ARG A 76 12.614 3.475 -4.812 1.00 0.00 O ATOM 1111 CB ARG A 76 12.400 0.908 -3.052 1.00 0.00 C ATOM 1112 CG ARG A 76 12.437 0.744 -1.541 1.00 0.00 C ATOM 1113 CD ARG A 76 13.366 -0.387 -1.126 1.00 0.00 C ATOM 1114 NE ARG A 76 12.722 -1.693 -1.243 1.00 0.00 N ATOM 1115 CZ ARG A 76 13.168 -2.796 -0.643 1.00 0.00 C ATOM 1116 NH1 ARG A 76 14.256 -2.753 0.115 1.00 0.00 N ATOM 1117 NH2 ARG A 76 12.522 -3.942 -0.802 1.00 0.00 N ATOM 0 H ARG A 76 11.301 0.872 -5.365 1.00 0.00 H new ATOM 0 HA ARG A 76 10.576 2.006 -2.760 1.00 0.00 H new ATOM 0 HB2 ARG A 76 12.217 -0.064 -3.510 1.00 0.00 H new ATOM 0 HB3 ARG A 76 13.378 1.244 -3.397 1.00 0.00 H new ATOM 0 HG2 ARG A 76 12.767 1.675 -1.081 1.00 0.00 H new ATOM 0 HG3 ARG A 76 11.431 0.545 -1.171 1.00 0.00 H new ATOM 0 HD2 ARG A 76 14.262 -0.367 -1.747 1.00 0.00 H new ATOM 0 HD3 ARG A 76 13.688 -0.232 -0.096 1.00 0.00 H new ATOM 0 HE ARG A 76 11.882 -1.765 -1.817 1.00 0.00 H new ATOM 0 HH11 ARG A 76 14.755 -1.873 0.241 1.00 0.00 H new ATOM 0 HH12 ARG A 76 14.593 -3.600 0.572 1.00 0.00 H new ATOM 0 HH21 ARG A 76 11.685 -3.979 -1.383 1.00 0.00 H new ATOM 0 HH22 ARG A 76 12.862 -4.787 -0.343 1.00 0.00 H new ATOM 1131 N ILE A 77 11.771 4.181 -2.850 1.00 0.00 N ATOM 1132 CA ILE A 77 12.320 5.526 -2.973 1.00 0.00 C ATOM 1133 C ILE A 77 12.647 6.114 -1.604 1.00 0.00 C ATOM 1134 O ILE A 77 12.576 7.326 -1.405 1.00 0.00 O ATOM 1135 CB ILE A 77 11.344 6.467 -3.703 1.00 0.00 C ATOM 1136 CG1 ILE A 77 9.981 6.464 -3.008 1.00 0.00 C ATOM 1137 CG2 ILE A 77 11.203 6.056 -5.161 1.00 0.00 C ATOM 1138 CD1 ILE A 77 9.330 7.828 -2.946 1.00 0.00 C ATOM 0 H ILE A 77 11.237 4.020 -1.996 1.00 0.00 H new ATOM 0 HA ILE A 77 13.236 5.441 -3.557 1.00 0.00 H new ATOM 0 HB ILE A 77 11.745 7.480 -3.669 1.00 0.00 H new ATOM 0 HG12 ILE A 77 9.317 5.777 -3.532 1.00 0.00 H new ATOM 0 HG13 ILE A 77 10.100 6.081 -1.994 1.00 0.00 H new ATOM 0 HG21 ILE A 77 10.510 6.731 -5.664 1.00 0.00 H new ATOM 0 HG22 ILE A 77 12.176 6.106 -5.649 1.00 0.00 H new ATOM 0 HG23 ILE A 77 10.821 5.036 -5.216 1.00 0.00 H new ATOM 0 HD11 ILE A 77 8.368 7.749 -2.440 1.00 0.00 H new ATOM 0 HD12 ILE A 77 9.974 8.514 -2.396 1.00 0.00 H new ATOM 0 HD13 ILE A 77 9.178 8.205 -3.957 1.00 0.00 H new ATOM 1150 N GLY A 78 13.008 5.247 -0.664 1.00 0.00 N ATOM 1151 CA GLY A 78 13.342 5.699 0.674 1.00 0.00 C ATOM 1152 C GLY A 78 14.835 5.878 0.870 1.00 0.00 C ATOM 1153 O GLY A 78 15.272 6.827 1.519 1.00 0.00 O ATOM 0 H GLY A 78 13.075 4.239 -0.805 1.00 0.00 H new ATOM 0 HA2 GLY A 78 12.837 6.644 0.871 1.00 0.00 H new ATOM 0 HA3 GLY A 78 12.967 4.979 1.402 1.00 0.00 H new ATOM 1157 N SER A 79 15.617 4.963 0.305 1.00 0.00 N ATOM 1158 CA SER A 79 17.070 5.020 0.418 1.00 0.00 C ATOM 1159 C SER A 79 17.512 4.846 1.869 1.00 0.00 C ATOM 1160 O SER A 79 17.941 3.764 2.271 1.00 0.00 O ATOM 1161 CB SER A 79 17.598 6.347 -0.136 1.00 0.00 C ATOM 1162 OG SER A 79 18.003 6.210 -1.487 1.00 0.00 O ATOM 0 H SER A 79 15.268 4.172 -0.236 1.00 0.00 H new ATOM 0 HA SER A 79 17.486 4.201 -0.169 1.00 0.00 H new ATOM 0 HB2 SER A 79 16.823 7.110 -0.061 1.00 0.00 H new ATOM 0 HB3 SER A 79 18.440 6.687 0.467 1.00 0.00 H new ATOM 0 HG SER A 79 18.334 7.071 -1.818 1.00 0.00 H new ATOM 1168 N GLY A 80 17.405 5.917 2.650 1.00 0.00 N ATOM 1169 CA GLY A 80 17.798 5.857 4.047 1.00 0.00 C ATOM 1170 C GLY A 80 16.619 5.617 4.972 1.00 0.00 C ATOM 1171 O GLY A 80 15.518 6.103 4.714 1.00 0.00 O ATOM 0 H GLY A 80 17.054 6.824 2.341 1.00 0.00 H new ATOM 0 HA2 GLY A 80 18.529 5.060 4.182 1.00 0.00 H new ATOM 0 HA3 GLY A 80 18.289 6.790 4.324 1.00 0.00 H new ATOM 1175 N PRO A 81 16.818 4.864 6.068 1.00 0.00 N ATOM 1176 CA PRO A 81 15.752 4.568 7.027 1.00 0.00 C ATOM 1177 C PRO A 81 15.463 5.743 7.956 1.00 0.00 C ATOM 1178 O PRO A 81 15.571 5.625 9.177 1.00 0.00 O ATOM 1179 CB PRO A 81 16.314 3.387 7.814 1.00 0.00 C ATOM 1180 CG PRO A 81 17.792 3.582 7.778 1.00 0.00 C ATOM 1181 CD PRO A 81 18.100 4.240 6.457 1.00 0.00 C ATOM 0 HA PRO A 81 14.802 4.360 6.535 1.00 0.00 H new ATOM 0 HB2 PRO A 81 15.940 3.378 8.838 1.00 0.00 H new ATOM 0 HB3 PRO A 81 16.028 2.437 7.362 1.00 0.00 H new ATOM 0 HG2 PRO A 81 18.122 4.205 8.609 1.00 0.00 H new ATOM 0 HG3 PRO A 81 18.312 2.628 7.868 1.00 0.00 H new ATOM 0 HD2 PRO A 81 18.893 4.982 6.554 1.00 0.00 H new ATOM 0 HD3 PRO A 81 18.433 3.513 5.716 1.00 0.00 H new ATOM 1189 N SER A 82 15.094 6.878 7.369 1.00 0.00 N ATOM 1190 CA SER A 82 14.788 8.075 8.145 1.00 0.00 C ATOM 1191 C SER A 82 14.371 9.223 7.232 1.00 0.00 C ATOM 1192 O SER A 82 13.212 9.640 7.232 1.00 0.00 O ATOM 1193 CB SER A 82 16.000 8.491 8.983 1.00 0.00 C ATOM 1194 OG SER A 82 17.199 8.381 8.235 1.00 0.00 O ATOM 0 H SER A 82 15.000 6.994 6.360 1.00 0.00 H new ATOM 0 HA SER A 82 13.957 7.842 8.811 1.00 0.00 H new ATOM 0 HB2 SER A 82 15.874 9.518 9.325 1.00 0.00 H new ATOM 0 HB3 SER A 82 16.064 7.864 9.872 1.00 0.00 H new ATOM 0 HG SER A 82 17.958 8.654 8.792 1.00 0.00 H new ATOM 1200 N SER A 83 15.322 9.729 6.455 1.00 0.00 N ATOM 1201 CA SER A 83 15.054 10.829 5.535 1.00 0.00 C ATOM 1202 C SER A 83 14.600 12.074 6.292 1.00 0.00 C ATOM 1203 O SER A 83 13.424 12.209 6.636 1.00 0.00 O ATOM 1204 CB SER A 83 13.990 10.422 4.515 1.00 0.00 C ATOM 1205 OG SER A 83 14.122 11.163 3.315 1.00 0.00 O ATOM 0 H SER A 83 16.286 9.395 6.444 1.00 0.00 H new ATOM 0 HA SER A 83 15.980 11.063 5.009 1.00 0.00 H new ATOM 0 HB2 SER A 83 14.077 9.357 4.300 1.00 0.00 H new ATOM 0 HB3 SER A 83 12.998 10.582 4.937 1.00 0.00 H new ATOM 0 HG SER A 83 13.431 10.882 2.679 1.00 0.00 H new ATOM 1211 N GLY A 84 15.538 12.979 6.550 1.00 0.00 N ATOM 1212 CA GLY A 84 15.215 14.199 7.265 1.00 0.00 C ATOM 1213 C GLY A 84 16.429 14.829 7.917 1.00 0.00 C ATOM 1214 O GLY A 84 16.366 16.030 8.255 1.00 0.00 O ATOM 1215 OXT GLY A 84 17.444 14.122 8.090 1.00 0.00 O ATOM 0 H GLY A 84 16.517 12.889 6.276 1.00 0.00 H new ATOM 0 HA2 GLY A 84 14.766 14.913 6.574 1.00 0.00 H new ATOM 0 HA3 GLY A 84 14.468 13.982 8.029 1.00 0.00 H new TER 1219 GLY A 84