USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 625 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 NoAdj-H: A 39 HIS HD1 : A 39 HIS ND1 : A 400 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 178:sc= 0 (180deg=-0.00501) USER MOD Single : A 2 SER OG : rot 180:sc= -0.025 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 44:sc= 0.485 USER MOD Single : A 8 SER OG : rot 41:sc= 0.839 USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -0.491 K(o=-0.49,f=-1.7) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 75:sc= 0.463 USER MOD Single : A 19 THR OG1 : rot -94:sc= 0.746 USER MOD Single : A 22 HIS : no HD1:sc= -0.0944 X(o=-0.094,f=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 HIS : no HD1:sc=-0.00166 X(o=-0.0017,f=-0.0039) USER MOD Single : A 32 GLN : amide:sc= -1.9! X(o=-1.9!,f=-1.9) USER MOD Single : A 35 SER OG : rot -135:sc= -0.444 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 156:sc= 0.917 (180deg=-0.57!) USER MOD Single : A 46 SER OG : rot 94:sc= -0.312 USER MOD Single : A 49 SER OG : rot 90:sc= -0.0458 USER MOD Single : A 51 LYS NZ :NH3+ -137:sc= 0 (180deg=-0.699) USER MOD Single : A 53 GLN : amide:sc= -9.2! C(o=-9.2!,f=-17!) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 30:sc= 0.0156 USER MOD Single : A 63 SER OG : rot -91:sc= 0.923 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 36:sc= 0.691 USER MOD Single : A 73 ASN : amide:sc= -1.1! C(o=-1.1!,f=-1.1!) USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= -0.678 X(o=-0.68,f=-0.52) USER MOD Single : A 85 THR OG1 : rot 67:sc= 0.42 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -26.347 12.673 -1.921 1.00 0.00 N ATOM 2 CA GLY A 1 -25.900 12.555 -0.546 1.00 0.00 C ATOM 3 C GLY A 1 -26.978 12.007 0.369 1.00 0.00 C ATOM 4 O GLY A 1 -27.199 12.530 1.461 1.00 0.00 O ATOM 0 H1 GLY A 1 -25.586 13.083 -2.499 1.00 0.00 H new ATOM 0 H2 GLY A 1 -26.592 11.731 -2.288 1.00 0.00 H new ATOM 0 H3 GLY A 1 -27.184 13.289 -1.962 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -25.027 11.903 -0.506 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -25.584 13.534 -0.185 1.00 0.00 H new ATOM 8 N SER A 2 -27.651 10.952 -0.078 1.00 0.00 N ATOM 9 CA SER A 2 -28.715 10.336 0.706 1.00 0.00 C ATOM 10 C SER A 2 -28.157 9.698 1.974 1.00 0.00 C ATOM 11 O SER A 2 -28.709 9.864 3.061 1.00 0.00 O ATOM 12 CB SER A 2 -29.448 9.283 -0.129 1.00 0.00 C ATOM 13 OG SER A 2 -28.564 8.258 -0.547 1.00 0.00 O ATOM 0 H SER A 2 -27.478 10.506 -0.979 1.00 0.00 H new ATOM 0 HA SER A 2 -29.419 11.117 0.993 1.00 0.00 H new ATOM 0 HB2 SER A 2 -30.260 8.851 0.456 1.00 0.00 H new ATOM 0 HB3 SER A 2 -29.900 9.756 -1.001 1.00 0.00 H new ATOM 0 HG SER A 2 -29.057 7.597 -1.077 1.00 0.00 H new ATOM 19 N SER A 3 -27.056 8.967 1.825 1.00 0.00 N ATOM 20 CA SER A 3 -26.423 8.300 2.957 1.00 0.00 C ATOM 21 C SER A 3 -25.245 9.116 3.479 1.00 0.00 C ATOM 22 O SER A 3 -24.093 8.854 3.134 1.00 0.00 O ATOM 23 CB SER A 3 -25.952 6.902 2.553 1.00 0.00 C ATOM 24 OG SER A 3 -25.325 6.241 3.639 1.00 0.00 O ATOM 0 H SER A 3 -26.585 8.822 0.932 1.00 0.00 H new ATOM 0 HA SER A 3 -27.161 8.211 3.754 1.00 0.00 H new ATOM 0 HB2 SER A 3 -26.802 6.314 2.207 1.00 0.00 H new ATOM 0 HB3 SER A 3 -25.256 6.977 1.718 1.00 0.00 H new ATOM 0 HG SER A 3 -25.034 5.349 3.355 1.00 0.00 H new ATOM 30 N GLY A 4 -25.542 10.107 4.313 1.00 0.00 N ATOM 31 CA GLY A 4 -24.498 10.947 4.870 1.00 0.00 C ATOM 32 C GLY A 4 -23.604 10.197 5.837 1.00 0.00 C ATOM 33 O GLY A 4 -23.429 8.984 5.719 1.00 0.00 O ATOM 0 H GLY A 4 -26.488 10.344 4.613 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -23.892 11.353 4.060 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -24.953 11.794 5.383 1.00 0.00 H new ATOM 37 N SER A 5 -23.035 10.919 6.797 1.00 0.00 N ATOM 38 CA SER A 5 -22.150 10.315 7.786 1.00 0.00 C ATOM 39 C SER A 5 -22.583 10.686 9.201 1.00 0.00 C ATOM 40 O SER A 5 -22.428 11.829 9.630 1.00 0.00 O ATOM 41 CB SER A 5 -20.706 10.761 7.549 1.00 0.00 C ATOM 42 OG SER A 5 -19.811 10.063 8.397 1.00 0.00 O ATOM 0 H SER A 5 -23.171 11.923 6.911 1.00 0.00 H new ATOM 0 HA SER A 5 -22.211 9.232 7.678 1.00 0.00 H new ATOM 0 HB2 SER A 5 -20.435 10.588 6.508 1.00 0.00 H new ATOM 0 HB3 SER A 5 -20.619 11.833 7.727 1.00 0.00 H new ATOM 0 HG SER A 5 -18.895 10.365 8.225 1.00 0.00 H new ATOM 48 N SER A 6 -23.127 9.711 9.921 1.00 0.00 N ATOM 49 CA SER A 6 -23.587 9.934 11.287 1.00 0.00 C ATOM 50 C SER A 6 -22.654 9.263 12.291 1.00 0.00 C ATOM 51 O SER A 6 -22.595 8.037 12.378 1.00 0.00 O ATOM 52 CB SER A 6 -25.010 9.401 11.462 1.00 0.00 C ATOM 53 OG SER A 6 -25.089 8.031 11.111 1.00 0.00 O ATOM 0 H SER A 6 -23.260 8.758 9.581 1.00 0.00 H new ATOM 0 HA SER A 6 -23.583 11.008 11.474 1.00 0.00 H new ATOM 0 HB2 SER A 6 -25.326 9.533 12.497 1.00 0.00 H new ATOM 0 HB3 SER A 6 -25.696 9.978 10.843 1.00 0.00 H new ATOM 0 HG SER A 6 -24.319 7.553 11.483 1.00 0.00 H new ATOM 59 N GLY A 7 -21.924 10.078 13.048 1.00 0.00 N ATOM 60 CA GLY A 7 -21.003 9.546 14.035 1.00 0.00 C ATOM 61 C GLY A 7 -19.556 9.843 13.697 1.00 0.00 C ATOM 62 O GLY A 7 -18.683 8.993 13.875 1.00 0.00 O ATOM 0 H GLY A 7 -21.954 11.096 12.995 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -21.239 9.968 15.012 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -21.141 8.468 14.112 1.00 0.00 H new ATOM 66 N SER A 8 -19.300 11.051 13.206 1.00 0.00 N ATOM 67 CA SER A 8 -17.949 11.456 12.836 1.00 0.00 C ATOM 68 C SER A 8 -17.412 12.507 13.804 1.00 0.00 C ATOM 69 O SER A 8 -17.643 13.706 13.648 1.00 0.00 O ATOM 70 CB SER A 8 -17.931 12.004 11.408 1.00 0.00 C ATOM 71 OG SER A 8 -18.778 13.133 11.285 1.00 0.00 O ATOM 0 H SER A 8 -20.011 11.767 13.055 1.00 0.00 H new ATOM 0 HA SER A 8 -17.306 10.577 12.888 1.00 0.00 H new ATOM 0 HB2 SER A 8 -16.912 12.278 11.133 1.00 0.00 H new ATOM 0 HB3 SER A 8 -18.251 11.228 10.713 1.00 0.00 H new ATOM 0 HG SER A 8 -18.680 13.703 12.076 1.00 0.00 H new ATOM 77 N PRO A 9 -16.679 12.047 14.828 1.00 0.00 N ATOM 78 CA PRO A 9 -16.093 12.929 15.841 1.00 0.00 C ATOM 79 C PRO A 9 -14.958 13.781 15.283 1.00 0.00 C ATOM 80 O PRO A 9 -14.918 14.993 15.492 1.00 0.00 O ATOM 81 CB PRO A 9 -15.562 11.955 16.896 1.00 0.00 C ATOM 82 CG PRO A 9 -15.315 10.689 16.151 1.00 0.00 C ATOM 83 CD PRO A 9 -16.364 10.630 15.075 1.00 0.00 C ATOM 0 HA PRO A 9 -16.820 13.643 16.228 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -14.647 12.329 17.356 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -16.285 11.808 17.699 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -14.314 10.679 15.721 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -15.386 9.826 16.813 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -15.991 10.139 14.176 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -17.243 10.074 15.401 1.00 0.00 H new ATOM 91 N MET A 10 -14.038 13.138 14.570 1.00 0.00 N ATOM 92 CA MET A 10 -12.903 13.838 13.980 1.00 0.00 C ATOM 93 C MET A 10 -13.351 14.715 12.815 1.00 0.00 C ATOM 94 O MET A 10 -14.232 14.336 12.044 1.00 0.00 O ATOM 95 CB MET A 10 -11.850 12.836 13.504 1.00 0.00 C ATOM 96 CG MET A 10 -12.339 11.925 12.389 1.00 0.00 C ATOM 97 SD MET A 10 -13.084 10.406 13.010 1.00 0.00 S ATOM 98 CE MET A 10 -12.743 9.283 11.656 1.00 0.00 C ATOM 0 H MET A 10 -14.057 12.135 14.387 1.00 0.00 H new ATOM 0 HA MET A 10 -12.465 14.478 14.746 1.00 0.00 H new ATOM 0 HB2 MET A 10 -10.972 13.381 13.158 1.00 0.00 H new ATOM 0 HB3 MET A 10 -11.533 12.225 14.349 1.00 0.00 H new ATOM 0 HG2 MET A 10 -13.068 12.461 11.781 1.00 0.00 H new ATOM 0 HG3 MET A 10 -11.503 11.675 11.737 1.00 0.00 H new ATOM 0 HE1 MET A 10 -13.144 8.297 11.891 1.00 0.00 H new ATOM 0 HE2 MET A 10 -13.211 9.658 10.746 1.00 0.00 H new ATOM 0 HE3 MET A 10 -11.666 9.210 11.506 1.00 0.00 H new ATOM 108 N ALA A 11 -12.740 15.889 12.694 1.00 0.00 N ATOM 109 CA ALA A 11 -13.075 16.818 11.622 1.00 0.00 C ATOM 110 C ALA A 11 -12.786 16.207 10.255 1.00 0.00 C ATOM 111 O ALA A 11 -12.194 15.133 10.158 1.00 0.00 O ATOM 112 CB ALA A 11 -12.307 18.120 11.793 1.00 0.00 C ATOM 0 H ALA A 11 -12.010 16.219 13.325 1.00 0.00 H new ATOM 0 HA ALA A 11 -14.143 17.029 11.678 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -12.567 18.804 10.985 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -12.567 18.573 12.750 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -11.236 17.917 11.766 1.00 0.00 H new ATOM 118 N ASN A 12 -13.208 16.899 9.202 1.00 0.00 N ATOM 119 CA ASN A 12 -12.994 16.423 7.840 1.00 0.00 C ATOM 120 C ASN A 12 -11.569 16.713 7.379 1.00 0.00 C ATOM 121 O ASN A 12 -11.352 17.200 6.269 1.00 0.00 O ATOM 122 CB ASN A 12 -13.994 17.079 6.886 1.00 0.00 C ATOM 123 CG ASN A 12 -13.926 16.497 5.487 1.00 0.00 C ATOM 124 OD1 ASN A 12 -13.357 15.426 5.275 1.00 0.00 O ATOM 125 ND2 ASN A 12 -14.508 17.203 4.524 1.00 0.00 N ATOM 0 H ASN A 12 -13.700 17.790 9.265 1.00 0.00 H new ATOM 0 HA ASN A 12 -13.147 15.344 7.831 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -15.003 16.955 7.280 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -13.799 18.151 6.841 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -14.495 16.862 3.563 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -14.968 18.086 4.746 1.00 0.00 H new ATOM 132 N SER A 13 -10.602 16.410 8.239 1.00 0.00 N ATOM 133 CA SER A 13 -9.197 16.641 7.921 1.00 0.00 C ATOM 134 C SER A 13 -8.642 15.511 7.059 1.00 0.00 C ATOM 135 O SER A 13 -7.552 15.001 7.310 1.00 0.00 O ATOM 136 CB SER A 13 -8.377 16.767 9.206 1.00 0.00 C ATOM 137 OG SER A 13 -8.524 18.054 9.781 1.00 0.00 O ATOM 0 H SER A 13 -10.765 16.004 9.161 1.00 0.00 H new ATOM 0 HA SER A 13 -9.125 17.572 7.359 1.00 0.00 H new ATOM 0 HB2 SER A 13 -8.696 16.008 9.920 1.00 0.00 H new ATOM 0 HB3 SER A 13 -7.325 16.580 8.990 1.00 0.00 H new ATOM 0 HG SER A 13 -7.991 18.108 10.602 1.00 0.00 H new ATOM 143 N GLY A 14 -9.403 15.125 6.039 1.00 0.00 N ATOM 144 CA GLY A 14 -8.972 14.059 5.154 1.00 0.00 C ATOM 145 C GLY A 14 -8.382 12.883 5.907 1.00 0.00 C ATOM 146 O GLY A 14 -7.168 12.774 6.078 1.00 0.00 O ATOM 0 H GLY A 14 -10.310 15.532 5.810 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -9.821 13.718 4.561 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -8.231 14.448 4.456 1.00 0.00 H new ATOM 150 N PRO A 15 -9.254 11.977 6.374 1.00 0.00 N ATOM 151 CA PRO A 15 -8.835 10.788 7.122 1.00 0.00 C ATOM 152 C PRO A 15 -8.106 9.777 6.244 1.00 0.00 C ATOM 153 O PRO A 15 -7.968 9.975 5.036 1.00 0.00 O ATOM 154 CB PRO A 15 -10.157 10.202 7.626 1.00 0.00 C ATOM 155 CG PRO A 15 -11.179 10.685 6.657 1.00 0.00 C ATOM 156 CD PRO A 15 -10.716 12.043 6.208 1.00 0.00 C ATOM 0 HA PRO A 15 -8.131 11.034 7.917 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -10.122 9.113 7.654 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -10.380 10.540 8.638 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -11.267 10.003 5.811 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -12.162 10.743 7.124 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -10.994 12.241 5.173 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -11.154 12.837 6.813 1.00 0.00 H new ATOM 164 N LEU A 16 -7.640 8.695 6.857 1.00 0.00 N ATOM 165 CA LEU A 16 -6.925 7.652 6.129 1.00 0.00 C ATOM 166 C LEU A 16 -7.605 7.352 4.798 1.00 0.00 C ATOM 167 O LEU A 16 -8.786 7.003 4.757 1.00 0.00 O ATOM 168 CB LEU A 16 -6.844 6.378 6.973 1.00 0.00 C ATOM 169 CG LEU A 16 -5.813 6.384 8.101 1.00 0.00 C ATOM 170 CD1 LEU A 16 -6.093 5.260 9.087 1.00 0.00 C ATOM 171 CD2 LEU A 16 -4.405 6.263 7.538 1.00 0.00 C ATOM 0 H LEU A 16 -7.744 8.517 7.856 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.916 8.011 5.926 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -7.826 6.191 7.407 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -6.623 5.541 6.311 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.890 7.333 8.632 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.349 5.280 9.883 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -7.086 5.391 9.516 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -6.045 4.302 8.570 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.684 6.269 8.356 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.315 5.330 6.982 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.206 7.103 6.873 1.00 0.00 H new ATOM 183 N CYS A 17 -6.853 7.488 3.711 1.00 0.00 N ATOM 184 CA CYS A 17 -7.383 7.230 2.377 1.00 0.00 C ATOM 185 C CYS A 17 -6.304 6.655 1.465 1.00 0.00 C ATOM 186 O CYS A 17 -5.219 7.223 1.334 1.00 0.00 O ATOM 187 CB CYS A 17 -7.947 8.516 1.772 1.00 0.00 C ATOM 188 SG CYS A 17 -9.526 9.036 2.483 1.00 0.00 S ATOM 0 H CYS A 17 -5.874 7.775 3.728 1.00 0.00 H new ATOM 0 HA CYS A 17 -8.185 6.498 2.467 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -7.220 9.317 1.905 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -8.073 8.375 0.699 1.00 0.00 H new ATOM 0 HG CYS A 17 -9.326 9.536 3.666 1.00 0.00 H new ATOM 194 N CYS A 18 -6.608 5.523 0.838 1.00 0.00 N ATOM 195 CA CYS A 18 -5.664 4.869 -0.060 1.00 0.00 C ATOM 196 C CYS A 18 -5.088 5.865 -1.063 1.00 0.00 C ATOM 197 O CYS A 18 -5.742 6.841 -1.432 1.00 0.00 O ATOM 198 CB CYS A 18 -6.348 3.719 -0.802 1.00 0.00 C ATOM 199 SG CYS A 18 -5.202 2.645 -1.726 1.00 0.00 S ATOM 0 H CYS A 18 -7.501 5.040 0.936 1.00 0.00 H new ATOM 0 HA CYS A 18 -4.846 4.470 0.540 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -6.897 3.112 -0.082 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -7.080 4.133 -1.495 1.00 0.00 H new ATOM 204 N THR A 19 -3.860 5.611 -1.502 1.00 0.00 N ATOM 205 CA THR A 19 -3.195 6.484 -2.461 1.00 0.00 C ATOM 206 C THR A 19 -3.652 6.186 -3.885 1.00 0.00 C ATOM 207 O THR A 19 -3.602 7.054 -4.757 1.00 0.00 O ATOM 208 CB THR A 19 -1.663 6.339 -2.386 1.00 0.00 C ATOM 209 OG1 THR A 19 -1.199 6.713 -1.083 1.00 0.00 O ATOM 210 CG2 THR A 19 -0.985 7.202 -3.438 1.00 0.00 C ATOM 0 H THR A 19 -3.305 4.807 -1.208 1.00 0.00 H new ATOM 0 HA THR A 19 -3.469 7.506 -2.200 1.00 0.00 H new ATOM 0 HB THR A 19 -1.409 5.296 -2.577 1.00 0.00 H new ATOM 0 HG1 THR A 19 -0.932 7.656 -1.089 1.00 0.00 H new ATOM 0 HG21 THR A 19 0.096 7.083 -3.365 1.00 0.00 H new ATOM 0 HG22 THR A 19 -1.318 6.896 -4.430 1.00 0.00 H new ATOM 0 HG23 THR A 19 -1.246 8.248 -3.275 1.00 0.00 H new ATOM 218 N ILE A 20 -4.098 4.955 -4.113 1.00 0.00 N ATOM 219 CA ILE A 20 -4.566 4.545 -5.431 1.00 0.00 C ATOM 220 C ILE A 20 -6.075 4.727 -5.560 1.00 0.00 C ATOM 221 O ILE A 20 -6.570 5.184 -6.590 1.00 0.00 O ATOM 222 CB ILE A 20 -4.211 3.075 -5.721 1.00 0.00 C ATOM 223 CG1 ILE A 20 -2.698 2.914 -5.879 1.00 0.00 C ATOM 224 CG2 ILE A 20 -4.934 2.593 -6.971 1.00 0.00 C ATOM 225 CD1 ILE A 20 -2.257 1.477 -6.045 1.00 0.00 C ATOM 0 H ILE A 20 -4.145 4.225 -3.402 1.00 0.00 H new ATOM 0 HA ILE A 20 -4.062 5.183 -6.158 1.00 0.00 H new ATOM 0 HB ILE A 20 -4.536 2.465 -4.878 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -2.368 3.489 -6.744 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -2.203 3.339 -5.006 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -4.673 1.552 -7.164 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -6.011 2.676 -6.823 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -4.636 3.205 -7.822 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -1.173 1.439 -6.152 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -2.556 0.901 -5.169 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -2.724 1.054 -6.934 1.00 0.00 H new ATOM 237 N CYS A 21 -6.801 4.369 -4.506 1.00 0.00 N ATOM 238 CA CYS A 21 -8.253 4.494 -4.499 1.00 0.00 C ATOM 239 C CYS A 21 -8.677 5.898 -4.080 1.00 0.00 C ATOM 240 O CYS A 21 -9.518 6.524 -4.727 1.00 0.00 O ATOM 241 CB CYS A 21 -8.870 3.460 -3.555 1.00 0.00 C ATOM 242 SG CYS A 21 -8.162 1.789 -3.717 1.00 0.00 S ATOM 0 H CYS A 21 -6.407 3.990 -3.645 1.00 0.00 H new ATOM 0 HA CYS A 21 -8.613 4.313 -5.512 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -8.741 3.800 -2.527 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -9.943 3.408 -3.741 1.00 0.00 H new ATOM 247 N HIS A 22 -8.088 6.389 -2.994 1.00 0.00 N ATOM 248 CA HIS A 22 -8.403 7.720 -2.488 1.00 0.00 C ATOM 249 C HIS A 22 -9.858 7.799 -2.036 1.00 0.00 C ATOM 250 O HIS A 22 -10.545 8.786 -2.297 1.00 0.00 O ATOM 251 CB HIS A 22 -8.132 8.774 -3.562 1.00 0.00 C ATOM 252 CG HIS A 22 -6.739 9.322 -3.527 1.00 0.00 C ATOM 253 ND1 HIS A 22 -5.931 9.397 -4.642 1.00 0.00 N ATOM 254 CD2 HIS A 22 -6.011 9.824 -2.502 1.00 0.00 C ATOM 255 CE1 HIS A 22 -4.766 9.921 -4.304 1.00 0.00 C ATOM 256 NE2 HIS A 22 -4.789 10.189 -3.011 1.00 0.00 N ATOM 0 H HIS A 22 -7.390 5.885 -2.448 1.00 0.00 H new ATOM 0 HA HIS A 22 -7.763 7.916 -1.628 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -8.317 8.337 -4.543 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -8.839 9.594 -3.441 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -6.332 9.920 -1.475 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -3.936 10.100 -4.972 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -4.023 10.600 -2.477 1.00 0.00 H new ATOM 264 N GLU A 23 -10.320 6.753 -1.358 1.00 0.00 N ATOM 265 CA GLU A 23 -11.694 6.705 -0.872 1.00 0.00 C ATOM 266 C GLU A 23 -11.733 6.758 0.653 1.00 0.00 C ATOM 267 O GLU A 23 -12.120 7.768 1.239 1.00 0.00 O ATOM 268 CB GLU A 23 -12.389 5.435 -1.367 1.00 0.00 C ATOM 269 CG GLU A 23 -12.813 5.503 -2.825 1.00 0.00 C ATOM 270 CD GLU A 23 -14.147 6.199 -3.012 1.00 0.00 C ATOM 271 OE1 GLU A 23 -15.023 6.051 -2.135 1.00 0.00 O ATOM 272 OE2 GLU A 23 -14.314 6.893 -4.037 1.00 0.00 O ATOM 0 H GLU A 23 -9.764 5.928 -1.133 1.00 0.00 H new ATOM 0 HA GLU A 23 -12.222 7.575 -1.263 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -11.718 4.587 -1.232 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -13.268 5.248 -0.750 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -12.049 6.029 -3.398 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -12.875 4.493 -3.229 1.00 0.00 H new ATOM 279 N ARG A 24 -11.331 5.661 1.288 1.00 0.00 N ATOM 280 CA ARG A 24 -11.322 5.581 2.743 1.00 0.00 C ATOM 281 C ARG A 24 -10.672 4.283 3.213 1.00 0.00 C ATOM 282 O ARG A 24 -10.775 3.250 2.550 1.00 0.00 O ATOM 283 CB ARG A 24 -12.748 5.677 3.289 1.00 0.00 C ATOM 284 CG ARG A 24 -13.666 4.572 2.793 1.00 0.00 C ATOM 285 CD ARG A 24 -13.621 3.358 3.707 1.00 0.00 C ATOM 286 NE ARG A 24 -14.532 2.306 3.265 1.00 0.00 N ATOM 287 CZ ARG A 24 -14.369 1.021 3.560 1.00 0.00 C ATOM 288 NH1 ARG A 24 -13.337 0.632 4.295 1.00 0.00 N ATOM 289 NH2 ARG A 24 -15.241 0.122 3.120 1.00 0.00 N ATOM 0 H ARG A 24 -11.008 4.816 0.817 1.00 0.00 H new ATOM 0 HA ARG A 24 -10.737 6.418 3.124 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -12.714 5.648 4.378 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -13.171 6.642 3.009 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -14.688 4.946 2.733 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -13.374 4.280 1.784 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -12.604 2.967 3.740 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -13.880 3.659 4.722 1.00 0.00 H new ATOM 0 HE ARG A 24 -15.338 2.572 2.699 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -12.665 1.320 4.636 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -13.214 -0.355 4.520 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -16.037 0.418 2.555 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -15.115 -0.864 3.347 1.00 0.00 H new ATOM 303 N LEU A 25 -10.004 4.343 4.359 1.00 0.00 N ATOM 304 CA LEU A 25 -9.337 3.172 4.918 1.00 0.00 C ATOM 305 C LEU A 25 -9.618 3.046 6.411 1.00 0.00 C ATOM 306 O LEU A 25 -8.779 3.393 7.242 1.00 0.00 O ATOM 307 CB LEU A 25 -7.829 3.256 4.676 1.00 0.00 C ATOM 308 CG LEU A 25 -7.375 3.147 3.220 1.00 0.00 C ATOM 309 CD1 LEU A 25 -5.864 3.289 3.120 1.00 0.00 C ATOM 310 CD2 LEU A 25 -7.829 1.825 2.618 1.00 0.00 C ATOM 0 H LEU A 25 -9.910 5.190 4.920 1.00 0.00 H new ATOM 0 HA LEU A 25 -9.730 2.287 4.418 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -7.469 4.203 5.078 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -7.345 2.463 5.247 1.00 0.00 H new ATOM 0 HG LEU A 25 -7.834 3.958 2.654 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.559 3.209 2.077 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.563 4.260 3.512 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.385 2.500 3.699 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.497 1.764 1.581 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -7.399 1.000 3.186 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -8.917 1.763 2.655 1.00 0.00 H new ATOM 322 N GLU A 26 -10.803 2.544 6.745 1.00 0.00 N ATOM 323 CA GLU A 26 -11.193 2.371 8.139 1.00 0.00 C ATOM 324 C GLU A 26 -10.549 1.122 8.734 1.00 0.00 C ATOM 325 O GLU A 26 -11.207 0.335 9.414 1.00 0.00 O ATOM 326 CB GLU A 26 -12.716 2.279 8.258 1.00 0.00 C ATOM 327 CG GLU A 26 -13.322 1.147 7.446 1.00 0.00 C ATOM 328 CD GLU A 26 -14.668 0.700 7.982 1.00 0.00 C ATOM 329 OE1 GLU A 26 -15.660 1.431 7.777 1.00 0.00 O ATOM 330 OE2 GLU A 26 -14.730 -0.380 8.607 1.00 0.00 O ATOM 0 H GLU A 26 -11.509 2.250 6.070 1.00 0.00 H new ATOM 0 HA GLU A 26 -10.844 3.240 8.697 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -12.983 2.146 9.306 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -13.155 3.223 7.934 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -13.436 1.468 6.411 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -12.637 0.299 7.443 1.00 0.00 H new ATOM 337 N ASP A 27 -9.259 0.947 8.471 1.00 0.00 N ATOM 338 CA ASP A 27 -8.524 -0.205 8.979 1.00 0.00 C ATOM 339 C ASP A 27 -7.020 0.000 8.830 1.00 0.00 C ATOM 340 O ASP A 27 -6.571 1.001 8.270 1.00 0.00 O ATOM 341 CB ASP A 27 -8.953 -1.476 8.243 1.00 0.00 C ATOM 342 CG ASP A 27 -8.629 -1.425 6.763 1.00 0.00 C ATOM 343 OD1 ASP A 27 -7.432 -1.323 6.421 1.00 0.00 O ATOM 344 OD2 ASP A 27 -9.572 -1.489 5.947 1.00 0.00 O ATOM 0 H ASP A 27 -8.700 1.589 7.909 1.00 0.00 H new ATOM 0 HA ASP A 27 -8.754 -0.312 10.039 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -8.457 -2.337 8.691 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -10.025 -1.623 8.372 1.00 0.00 H new ATOM 349 N THR A 28 -6.244 -0.954 9.335 1.00 0.00 N ATOM 350 CA THR A 28 -4.791 -0.878 9.261 1.00 0.00 C ATOM 351 C THR A 28 -4.232 -1.935 8.315 1.00 0.00 C ATOM 352 O THR A 28 -3.203 -1.725 7.672 1.00 0.00 O ATOM 353 CB THR A 28 -4.147 -1.055 10.648 1.00 0.00 C ATOM 354 OG1 THR A 28 -2.741 -0.796 10.573 1.00 0.00 O ATOM 355 CG2 THR A 28 -4.380 -2.462 11.177 1.00 0.00 C ATOM 0 H THR A 28 -6.599 -1.789 9.800 1.00 0.00 H new ATOM 0 HA THR A 28 -4.546 0.113 8.879 1.00 0.00 H new ATOM 0 HB THR A 28 -4.611 -0.344 11.332 1.00 0.00 H new ATOM 0 HG1 THR A 28 -2.340 -0.909 11.460 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.916 -2.563 12.158 1.00 0.00 H new ATOM 0 HG22 THR A 28 -5.451 -2.646 11.261 1.00 0.00 H new ATOM 0 HG23 THR A 28 -3.940 -3.186 10.491 1.00 0.00 H new ATOM 363 N HIS A 29 -4.917 -3.071 8.234 1.00 0.00 N ATOM 364 CA HIS A 29 -4.490 -4.161 7.364 1.00 0.00 C ATOM 365 C HIS A 29 -3.852 -3.620 6.088 1.00 0.00 C ATOM 366 O HIS A 29 -2.856 -4.157 5.604 1.00 0.00 O ATOM 367 CB HIS A 29 -5.677 -5.058 7.014 1.00 0.00 C ATOM 368 CG HIS A 29 -5.897 -6.170 7.994 1.00 0.00 C ATOM 369 ND1 HIS A 29 -7.056 -6.306 8.729 1.00 0.00 N ATOM 370 CD2 HIS A 29 -5.099 -7.201 8.356 1.00 0.00 C ATOM 371 CE1 HIS A 29 -6.960 -7.373 9.503 1.00 0.00 C ATOM 372 NE2 HIS A 29 -5.783 -7.934 9.295 1.00 0.00 N ATOM 0 H HIS A 29 -5.770 -3.261 8.760 1.00 0.00 H new ATOM 0 HA HIS A 29 -3.746 -4.750 7.900 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -6.579 -4.448 6.960 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -5.520 -5.484 6.023 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -4.109 -7.409 7.977 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -7.716 -7.726 10.189 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -5.438 -8.775 9.757 1.00 0.00 H new ATOM 380 N PHE A 30 -4.434 -2.554 5.548 1.00 0.00 N ATOM 381 CA PHE A 30 -3.924 -1.942 4.326 1.00 0.00 C ATOM 382 C PHE A 30 -2.401 -1.851 4.359 1.00 0.00 C ATOM 383 O PHE A 30 -1.801 -1.673 5.419 1.00 0.00 O ATOM 384 CB PHE A 30 -4.526 -0.547 4.141 1.00 0.00 C ATOM 385 CG PHE A 30 -3.980 0.473 5.098 1.00 0.00 C ATOM 386 CD1 PHE A 30 -2.806 1.152 4.814 1.00 0.00 C ATOM 387 CD2 PHE A 30 -4.642 0.754 6.283 1.00 0.00 C ATOM 388 CE1 PHE A 30 -2.301 2.092 5.693 1.00 0.00 C ATOM 389 CE2 PHE A 30 -4.142 1.693 7.165 1.00 0.00 C ATOM 390 CZ PHE A 30 -2.970 2.362 6.871 1.00 0.00 C ATOM 0 H PHE A 30 -5.258 -2.096 5.937 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.215 -2.571 3.484 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -4.340 -0.212 3.121 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -5.607 -0.607 4.265 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -2.279 0.944 3.895 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -5.558 0.234 6.519 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.385 2.614 5.459 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -4.668 1.904 8.084 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.577 3.095 7.561 1.00 0.00 H new ATOM 400 N VAL A 31 -1.782 -1.975 3.189 1.00 0.00 N ATOM 401 CA VAL A 31 -0.330 -1.907 3.082 1.00 0.00 C ATOM 402 C VAL A 31 0.153 -0.461 3.069 1.00 0.00 C ATOM 403 O VAL A 31 -0.198 0.313 2.179 1.00 0.00 O ATOM 404 CB VAL A 31 0.173 -2.615 1.810 1.00 0.00 C ATOM 405 CG1 VAL A 31 1.692 -2.579 1.743 1.00 0.00 C ATOM 406 CG2 VAL A 31 -0.337 -4.047 1.761 1.00 0.00 C ATOM 0 H VAL A 31 -2.264 -2.123 2.302 1.00 0.00 H new ATOM 0 HA VAL A 31 0.076 -2.415 3.957 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.217 -2.084 0.942 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.028 -3.084 0.838 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.031 -1.543 1.728 1.00 0.00 H new ATOM 0 HG13 VAL A 31 2.107 -3.084 2.615 1.00 0.00 H new ATOM 0 HG21 VAL A 31 0.028 -4.532 0.856 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.022 -4.591 2.635 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.427 -4.045 1.758 1.00 0.00 H new ATOM 416 N GLN A 32 0.960 -0.103 4.063 1.00 0.00 N ATOM 417 CA GLN A 32 1.491 1.251 4.167 1.00 0.00 C ATOM 418 C GLN A 32 3.007 1.255 4.006 1.00 0.00 C ATOM 419 O GLN A 32 3.706 0.429 4.595 1.00 0.00 O ATOM 420 CB GLN A 32 1.107 1.870 5.512 1.00 0.00 C ATOM 421 CG GLN A 32 0.927 3.379 5.457 1.00 0.00 C ATOM 422 CD GLN A 32 2.236 4.128 5.605 1.00 0.00 C ATOM 423 OE1 GLN A 32 3.046 3.819 6.480 1.00 0.00 O ATOM 424 NE2 GLN A 32 2.451 5.121 4.749 1.00 0.00 N ATOM 0 H GLN A 32 1.260 -0.732 4.808 1.00 0.00 H new ATOM 0 HA GLN A 32 1.057 1.847 3.364 1.00 0.00 H new ATOM 0 HB2 GLN A 32 0.181 1.414 5.861 1.00 0.00 H new ATOM 0 HB3 GLN A 32 1.876 1.631 6.246 1.00 0.00 H new ATOM 0 HG2 GLN A 32 0.462 3.651 4.510 1.00 0.00 H new ATOM 0 HG3 GLN A 32 0.244 3.689 6.248 1.00 0.00 H new ATOM 0 HE21 GLN A 32 1.753 5.343 4.040 1.00 0.00 H new ATOM 0 HE22 GLN A 32 3.315 5.661 4.801 1.00 0.00 H new ATOM 433 N CYS A 33 3.510 2.188 3.206 1.00 0.00 N ATOM 434 CA CYS A 33 4.944 2.300 2.966 1.00 0.00 C ATOM 435 C CYS A 33 5.686 2.638 4.256 1.00 0.00 C ATOM 436 O CYS A 33 5.341 3.579 4.971 1.00 0.00 O ATOM 437 CB CYS A 33 5.224 3.368 1.908 1.00 0.00 C ATOM 438 SG CYS A 33 6.681 3.024 0.871 1.00 0.00 S ATOM 0 H CYS A 33 2.945 2.879 2.712 1.00 0.00 H new ATOM 0 HA CYS A 33 5.303 1.337 2.603 1.00 0.00 H new ATOM 0 HB2 CYS A 33 4.349 3.466 1.265 1.00 0.00 H new ATOM 0 HB3 CYS A 33 5.363 4.328 2.405 1.00 0.00 H new ATOM 443 N PRO A 34 6.730 1.854 4.561 1.00 0.00 N ATOM 444 CA PRO A 34 7.544 2.052 5.765 1.00 0.00 C ATOM 445 C PRO A 34 8.390 3.318 5.691 1.00 0.00 C ATOM 446 O PRO A 34 8.908 3.789 6.703 1.00 0.00 O ATOM 447 CB PRO A 34 8.439 0.810 5.795 1.00 0.00 C ATOM 448 CG PRO A 34 8.523 0.369 4.375 1.00 0.00 C ATOM 449 CD PRO A 34 7.198 0.715 3.754 1.00 0.00 C ATOM 0 HA PRO A 34 6.930 2.173 6.657 1.00 0.00 H new ATOM 0 HB2 PRO A 34 9.425 1.043 6.196 1.00 0.00 H new ATOM 0 HB3 PRO A 34 8.013 0.031 6.427 1.00 0.00 H new ATOM 0 HG2 PRO A 34 9.340 0.873 3.858 1.00 0.00 H new ATOM 0 HG3 PRO A 34 8.717 -0.702 4.310 1.00 0.00 H new ATOM 0 HD2 PRO A 34 7.305 0.984 2.703 1.00 0.00 H new ATOM 0 HD3 PRO A 34 6.502 -0.123 3.799 1.00 0.00 H new ATOM 457 N SER A 35 8.527 3.863 4.486 1.00 0.00 N ATOM 458 CA SER A 35 9.314 5.073 4.280 1.00 0.00 C ATOM 459 C SER A 35 8.411 6.261 3.959 1.00 0.00 C ATOM 460 O SER A 35 8.629 7.370 4.446 1.00 0.00 O ATOM 461 CB SER A 35 10.323 4.865 3.149 1.00 0.00 C ATOM 462 OG SER A 35 9.702 4.290 2.012 1.00 0.00 O ATOM 0 H SER A 35 8.103 3.486 3.638 1.00 0.00 H new ATOM 0 HA SER A 35 9.853 5.287 5.203 1.00 0.00 H new ATOM 0 HB2 SER A 35 10.772 5.820 2.878 1.00 0.00 H new ATOM 0 HB3 SER A 35 11.131 4.219 3.492 1.00 0.00 H new ATOM 0 HG SER A 35 10.262 3.564 1.666 1.00 0.00 H new ATOM 468 N VAL A 36 7.396 6.018 3.136 1.00 0.00 N ATOM 469 CA VAL A 36 6.458 7.066 2.750 1.00 0.00 C ATOM 470 C VAL A 36 5.162 6.965 3.547 1.00 0.00 C ATOM 471 O VAL A 36 4.454 5.959 3.502 1.00 0.00 O ATOM 472 CB VAL A 36 6.130 6.999 1.247 1.00 0.00 C ATOM 473 CG1 VAL A 36 5.200 8.135 0.852 1.00 0.00 C ATOM 474 CG2 VAL A 36 7.407 7.033 0.421 1.00 0.00 C ATOM 0 H VAL A 36 7.202 5.105 2.724 1.00 0.00 H new ATOM 0 HA VAL A 36 6.941 8.019 2.967 1.00 0.00 H new ATOM 0 HB VAL A 36 5.619 6.057 1.046 1.00 0.00 H new ATOM 0 HG11 VAL A 36 4.980 8.071 -0.214 1.00 0.00 H new ATOM 0 HG12 VAL A 36 4.272 8.060 1.420 1.00 0.00 H new ATOM 0 HG13 VAL A 36 5.680 9.090 1.066 1.00 0.00 H new ATOM 0 HG21 VAL A 36 7.156 6.985 -0.639 1.00 0.00 H new ATOM 0 HG22 VAL A 36 7.947 7.958 0.624 1.00 0.00 H new ATOM 0 HG23 VAL A 36 8.034 6.181 0.685 1.00 0.00 H new ATOM 484 N PRO A 37 4.843 8.031 4.295 1.00 0.00 N ATOM 485 CA PRO A 37 3.630 8.088 5.116 1.00 0.00 C ATOM 486 C PRO A 37 2.363 8.177 4.272 1.00 0.00 C ATOM 487 O PRO A 37 1.362 7.524 4.567 1.00 0.00 O ATOM 488 CB PRO A 37 3.817 9.366 5.937 1.00 0.00 C ATOM 489 CG PRO A 37 4.725 10.215 5.116 1.00 0.00 C ATOM 490 CD PRO A 37 5.642 9.264 4.397 1.00 0.00 C ATOM 0 HA PRO A 37 3.505 7.191 5.722 1.00 0.00 H new ATOM 0 HB2 PRO A 37 2.864 9.864 6.116 1.00 0.00 H new ATOM 0 HB3 PRO A 37 4.252 9.150 6.913 1.00 0.00 H new ATOM 0 HG2 PRO A 37 4.159 10.821 4.409 1.00 0.00 H new ATOM 0 HG3 PRO A 37 5.291 10.903 5.744 1.00 0.00 H new ATOM 0 HD2 PRO A 37 5.924 9.643 3.414 1.00 0.00 H new ATOM 0 HD3 PRO A 37 6.566 9.100 4.952 1.00 0.00 H new ATOM 498 N SER A 38 2.413 8.990 3.221 1.00 0.00 N ATOM 499 CA SER A 38 1.268 9.167 2.337 1.00 0.00 C ATOM 500 C SER A 38 0.913 7.858 1.638 1.00 0.00 C ATOM 501 O SER A 38 -0.256 7.480 1.558 1.00 0.00 O ATOM 502 CB SER A 38 1.562 10.250 1.297 1.00 0.00 C ATOM 503 OG SER A 38 1.965 11.458 1.919 1.00 0.00 O ATOM 0 H SER A 38 3.234 9.536 2.962 1.00 0.00 H new ATOM 0 HA SER A 38 0.417 9.477 2.944 1.00 0.00 H new ATOM 0 HB2 SER A 38 2.345 9.906 0.621 1.00 0.00 H new ATOM 0 HB3 SER A 38 0.673 10.428 0.691 1.00 0.00 H new ATOM 0 HG SER A 38 2.149 12.134 1.233 1.00 0.00 H new ATOM 509 N HIS A 39 1.932 7.170 1.132 1.00 0.00 N ATOM 510 CA HIS A 39 1.730 5.902 0.440 1.00 0.00 C ATOM 511 C HIS A 39 0.847 4.969 1.263 1.00 0.00 C ATOM 512 O HIS A 39 1.271 4.444 2.293 1.00 0.00 O ATOM 513 CB HIS A 39 3.074 5.232 0.154 1.00 0.00 C ATOM 514 CG HIS A 39 3.736 5.726 -1.095 1.00 0.00 C ATOM 515 ND1 HIS A 39 5.034 5.409 -1.434 1.00 0.00 N ATOM 516 CD2 HIS A 39 3.271 6.518 -2.089 1.00 0.00 C ATOM 517 CE1 HIS A 39 5.340 5.986 -2.583 1.00 0.00 C ATOM 518 NE2 HIS A 39 4.287 6.664 -3.002 1.00 0.00 N ATOM 0 H HIS A 39 2.905 7.469 1.188 1.00 0.00 H new ATOM 0 HA HIS A 39 1.228 6.108 -0.505 1.00 0.00 H new ATOM 0 HB2 HIS A 39 3.741 5.399 1.000 1.00 0.00 H new ATOM 0 HB3 HIS A 39 2.924 4.155 0.074 1.00 0.00 H new ATOM 0 HD2 HIS A 39 2.285 6.954 -2.153 1.00 0.00 H new ATOM 0 HE1 HIS A 39 6.290 5.915 -3.093 1.00 0.00 H new ATOM 0 HE2 HIS A 39 4.236 7.208 -3.864 1.00 0.00 H new ATOM 526 N LYS A 40 -0.383 4.767 0.803 1.00 0.00 N ATOM 527 CA LYS A 40 -1.326 3.896 1.495 1.00 0.00 C ATOM 528 C LYS A 40 -2.036 2.971 0.511 1.00 0.00 C ATOM 529 O LYS A 40 -3.079 3.320 -0.042 1.00 0.00 O ATOM 530 CB LYS A 40 -2.355 4.731 2.260 1.00 0.00 C ATOM 531 CG LYS A 40 -1.943 5.047 3.687 1.00 0.00 C ATOM 532 CD LYS A 40 -3.034 5.801 4.429 1.00 0.00 C ATOM 533 CE LYS A 40 -2.862 7.306 4.294 1.00 0.00 C ATOM 534 NZ LYS A 40 -3.205 7.783 2.925 1.00 0.00 N ATOM 0 H LYS A 40 -0.750 5.195 -0.047 1.00 0.00 H new ATOM 0 HA LYS A 40 -0.766 3.284 2.202 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.523 5.665 1.724 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.305 4.197 2.275 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -1.716 4.121 4.215 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.029 5.641 3.680 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -4.009 5.509 4.039 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -3.016 5.525 5.483 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -3.495 7.811 5.024 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -1.832 7.576 4.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -3.472 8.788 2.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -2.381 7.667 2.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -4.002 7.228 2.553 1.00 0.00 H new ATOM 548 N PHE A 41 -1.465 1.790 0.300 1.00 0.00 N ATOM 549 CA PHE A 41 -2.044 0.815 -0.617 1.00 0.00 C ATOM 550 C PHE A 41 -2.710 -0.324 0.150 1.00 0.00 C ATOM 551 O PHE A 41 -2.090 -0.959 1.003 1.00 0.00 O ATOM 552 CB PHE A 41 -0.965 0.256 -1.548 1.00 0.00 C ATOM 553 CG PHE A 41 0.151 1.222 -1.821 1.00 0.00 C ATOM 554 CD1 PHE A 41 0.078 2.103 -2.888 1.00 0.00 C ATOM 555 CD2 PHE A 41 1.274 1.251 -1.009 1.00 0.00 C ATOM 556 CE1 PHE A 41 1.104 2.992 -3.142 1.00 0.00 C ATOM 557 CE2 PHE A 41 2.304 2.139 -1.258 1.00 0.00 C ATOM 558 CZ PHE A 41 2.218 3.012 -2.325 1.00 0.00 C ATOM 0 H PHE A 41 -0.603 1.485 0.751 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.803 1.320 -1.214 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -0.550 -0.650 -1.107 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -1.425 -0.031 -2.493 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -0.791 2.094 -3.529 1.00 0.00 H new ATOM 0 HD2 PHE A 41 1.345 0.572 -0.172 1.00 0.00 H new ATOM 0 HE1 PHE A 41 1.036 3.671 -3.979 1.00 0.00 H new ATOM 0 HE2 PHE A 41 3.175 2.150 -0.619 1.00 0.00 H new ATOM 0 HZ PHE A 41 3.020 3.709 -2.520 1.00 0.00 H new ATOM 568 N CYS A 42 -3.977 -0.576 -0.160 1.00 0.00 N ATOM 569 CA CYS A 42 -4.730 -1.636 0.499 1.00 0.00 C ATOM 570 C CYS A 42 -4.425 -2.992 -0.131 1.00 0.00 C ATOM 571 O CYS A 42 -3.548 -3.108 -0.988 1.00 0.00 O ATOM 572 CB CYS A 42 -6.231 -1.350 0.420 1.00 0.00 C ATOM 573 SG CYS A 42 -6.801 -0.824 -1.228 1.00 0.00 S ATOM 0 H CYS A 42 -4.504 -0.060 -0.864 1.00 0.00 H new ATOM 0 HA CYS A 42 -4.428 -1.665 1.546 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -6.777 -2.247 0.712 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -6.481 -0.574 1.144 1.00 0.00 H new ATOM 578 N PHE A 43 -5.156 -4.015 0.299 1.00 0.00 N ATOM 579 CA PHE A 43 -4.964 -5.364 -0.223 1.00 0.00 C ATOM 580 C PHE A 43 -5.173 -5.398 -1.734 1.00 0.00 C ATOM 581 O PHE A 43 -4.318 -5.852 -2.494 1.00 0.00 O ATOM 582 CB PHE A 43 -5.927 -6.338 0.459 1.00 0.00 C ATOM 583 CG PHE A 43 -5.374 -6.949 1.714 1.00 0.00 C ATOM 584 CD1 PHE A 43 -4.490 -6.241 2.513 1.00 0.00 C ATOM 585 CD2 PHE A 43 -5.737 -8.230 2.096 1.00 0.00 C ATOM 586 CE1 PHE A 43 -3.979 -6.801 3.669 1.00 0.00 C ATOM 587 CE2 PHE A 43 -5.229 -8.795 3.251 1.00 0.00 C ATOM 588 CZ PHE A 43 -4.350 -8.079 4.039 1.00 0.00 C ATOM 0 H PHE A 43 -5.886 -3.936 1.007 1.00 0.00 H new ATOM 0 HA PHE A 43 -3.939 -5.667 -0.010 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -6.853 -5.814 0.697 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -6.182 -7.134 -0.241 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -4.197 -5.241 2.229 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -6.425 -8.794 1.484 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -3.290 -6.239 4.283 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -5.519 -9.795 3.537 1.00 0.00 H new ATOM 0 HZ PHE A 43 -3.953 -8.517 4.943 1.00 0.00 H new ATOM 598 N PRO A 44 -6.338 -4.906 -2.181 1.00 0.00 N ATOM 599 CA PRO A 44 -6.688 -4.869 -3.604 1.00 0.00 C ATOM 600 C PRO A 44 -5.851 -3.857 -4.380 1.00 0.00 C ATOM 601 O PRO A 44 -6.231 -3.427 -5.469 1.00 0.00 O ATOM 602 CB PRO A 44 -8.160 -4.451 -3.596 1.00 0.00 C ATOM 603 CG PRO A 44 -8.336 -3.704 -2.320 1.00 0.00 C ATOM 604 CD PRO A 44 -7.404 -4.349 -1.331 1.00 0.00 C ATOM 0 HA PRO A 44 -6.505 -5.825 -4.094 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -8.398 -3.826 -4.457 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -8.818 -5.319 -3.640 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -8.098 -2.648 -2.450 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -9.369 -3.758 -1.976 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -7.012 -3.625 -0.617 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -7.905 -5.126 -0.754 1.00 0.00 H new ATOM 612 N CYS A 45 -4.709 -3.481 -3.813 1.00 0.00 N ATOM 613 CA CYS A 45 -3.818 -2.520 -4.451 1.00 0.00 C ATOM 614 C CYS A 45 -2.398 -3.072 -4.541 1.00 0.00 C ATOM 615 O CYS A 45 -1.651 -2.743 -5.462 1.00 0.00 O ATOM 616 CB CYS A 45 -3.816 -1.202 -3.675 1.00 0.00 C ATOM 617 SG CYS A 45 -5.033 0.015 -4.273 1.00 0.00 S ATOM 0 H CYS A 45 -4.379 -3.828 -2.912 1.00 0.00 H new ATOM 0 HA CYS A 45 -4.183 -2.338 -5.462 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -4.014 -1.411 -2.624 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -2.820 -0.762 -3.730 1.00 0.00 H new ATOM 622 N SER A 46 -2.034 -3.913 -3.578 1.00 0.00 N ATOM 623 CA SER A 46 -0.703 -4.508 -3.547 1.00 0.00 C ATOM 624 C SER A 46 -0.622 -5.709 -4.485 1.00 0.00 C ATOM 625 O SER A 46 0.322 -5.840 -5.264 1.00 0.00 O ATOM 626 CB SER A 46 -0.345 -4.934 -2.122 1.00 0.00 C ATOM 627 OG SER A 46 0.302 -3.885 -1.423 1.00 0.00 O ATOM 0 H SER A 46 -2.642 -4.197 -2.810 1.00 0.00 H new ATOM 0 HA SER A 46 0.011 -3.757 -3.885 1.00 0.00 H new ATOM 0 HB2 SER A 46 -1.249 -5.227 -1.589 1.00 0.00 H new ATOM 0 HB3 SER A 46 0.304 -5.809 -2.153 1.00 0.00 H new ATOM 0 HG SER A 46 -0.361 -3.373 -0.914 1.00 0.00 H new ATOM 633 N ARG A 47 -1.620 -6.583 -4.403 1.00 0.00 N ATOM 634 CA ARG A 47 -1.662 -7.775 -5.242 1.00 0.00 C ATOM 635 C ARG A 47 -1.325 -7.431 -6.690 1.00 0.00 C ATOM 636 O ARG A 47 -0.339 -7.920 -7.240 1.00 0.00 O ATOM 637 CB ARG A 47 -3.045 -8.426 -5.170 1.00 0.00 C ATOM 638 CG ARG A 47 -3.516 -8.699 -3.751 1.00 0.00 C ATOM 639 CD ARG A 47 -4.916 -9.292 -3.733 1.00 0.00 C ATOM 640 NE ARG A 47 -5.789 -8.662 -4.720 1.00 0.00 N ATOM 641 CZ ARG A 47 -5.874 -9.057 -5.985 1.00 0.00 C ATOM 642 NH1 ARG A 47 -5.142 -10.075 -6.415 1.00 0.00 N ATOM 643 NH2 ARG A 47 -6.692 -8.433 -6.823 1.00 0.00 N ATOM 0 H ARG A 47 -2.410 -6.488 -3.765 1.00 0.00 H new ATOM 0 HA ARG A 47 -0.917 -8.478 -4.870 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -3.768 -7.779 -5.666 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -3.025 -9.364 -5.724 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -2.823 -9.384 -3.262 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -3.505 -7.772 -3.178 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -4.859 -10.363 -3.930 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -5.347 -9.173 -2.739 1.00 0.00 H new ATOM 0 HE ARG A 47 -6.365 -7.875 -4.421 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -4.512 -10.557 -5.774 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -5.209 -10.377 -7.387 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -7.256 -7.649 -6.496 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -6.756 -8.737 -7.794 1.00 0.00 H new ATOM 657 N GLU A 48 -2.152 -6.589 -7.301 1.00 0.00 N ATOM 658 CA GLU A 48 -1.941 -6.182 -8.686 1.00 0.00 C ATOM 659 C GLU A 48 -0.478 -5.828 -8.932 1.00 0.00 C ATOM 660 O GLU A 48 0.038 -6.005 -10.036 1.00 0.00 O ATOM 661 CB GLU A 48 -2.832 -4.987 -9.031 1.00 0.00 C ATOM 662 CG GLU A 48 -4.307 -5.337 -9.138 1.00 0.00 C ATOM 663 CD GLU A 48 -5.076 -4.365 -10.011 1.00 0.00 C ATOM 664 OE1 GLU A 48 -4.599 -4.065 -11.126 1.00 0.00 O ATOM 665 OE2 GLU A 48 -6.153 -3.903 -9.580 1.00 0.00 O ATOM 0 H GLU A 48 -2.973 -6.176 -6.860 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.206 -7.021 -9.329 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.704 -4.218 -8.269 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.500 -4.558 -9.976 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.409 -6.343 -9.544 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.747 -5.350 -8.141 1.00 0.00 H new ATOM 672 N SER A 49 0.186 -5.325 -7.896 1.00 0.00 N ATOM 673 CA SER A 49 1.589 -4.941 -8.000 1.00 0.00 C ATOM 674 C SER A 49 2.497 -6.158 -7.859 1.00 0.00 C ATOM 675 O SER A 49 3.545 -6.241 -8.500 1.00 0.00 O ATOM 676 CB SER A 49 1.936 -3.904 -6.929 1.00 0.00 C ATOM 677 OG SER A 49 1.145 -2.738 -7.073 1.00 0.00 O ATOM 0 H SER A 49 -0.225 -5.174 -6.975 1.00 0.00 H new ATOM 0 HA SER A 49 1.749 -4.503 -8.985 1.00 0.00 H new ATOM 0 HB2 SER A 49 1.780 -4.333 -5.939 1.00 0.00 H new ATOM 0 HB3 SER A 49 2.992 -3.642 -7.000 1.00 0.00 H new ATOM 0 HG SER A 49 0.321 -2.835 -6.551 1.00 0.00 H new ATOM 683 N ILE A 50 2.087 -7.100 -7.016 1.00 0.00 N ATOM 684 CA ILE A 50 2.862 -8.314 -6.792 1.00 0.00 C ATOM 685 C ILE A 50 2.978 -9.137 -8.070 1.00 0.00 C ATOM 686 O ILE A 50 4.005 -9.766 -8.327 1.00 0.00 O ATOM 687 CB ILE A 50 2.235 -9.186 -5.688 1.00 0.00 C ATOM 688 CG1 ILE A 50 2.125 -8.395 -4.383 1.00 0.00 C ATOM 689 CG2 ILE A 50 3.058 -10.449 -5.480 1.00 0.00 C ATOM 690 CD1 ILE A 50 1.336 -9.109 -3.308 1.00 0.00 C ATOM 0 H ILE A 50 1.223 -7.046 -6.477 1.00 0.00 H new ATOM 0 HA ILE A 50 3.856 -7.999 -6.475 1.00 0.00 H new ATOM 0 HB ILE A 50 1.232 -9.476 -6.000 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.127 -8.186 -4.009 1.00 0.00 H new ATOM 0 HG13 ILE A 50 1.655 -7.433 -4.589 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.603 -11.055 -4.697 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.090 -11.020 -6.408 1.00 0.00 H new ATOM 0 HG23 ILE A 50 4.072 -10.178 -5.186 1.00 0.00 H new ATOM 0 HD11 ILE A 50 1.299 -8.490 -2.412 1.00 0.00 H new ATOM 0 HD12 ILE A 50 0.322 -9.294 -3.663 1.00 0.00 H new ATOM 0 HD13 ILE A 50 1.817 -10.059 -3.074 1.00 0.00 H new ATOM 702 N LYS A 51 1.918 -9.127 -8.872 1.00 0.00 N ATOM 703 CA LYS A 51 1.900 -9.869 -10.127 1.00 0.00 C ATOM 704 C LYS A 51 2.650 -9.112 -11.218 1.00 0.00 C ATOM 705 O LYS A 51 3.465 -9.688 -11.937 1.00 0.00 O ATOM 706 CB LYS A 51 0.458 -10.127 -10.570 1.00 0.00 C ATOM 707 CG LYS A 51 -0.442 -10.625 -9.452 1.00 0.00 C ATOM 708 CD LYS A 51 -1.694 -11.289 -9.998 1.00 0.00 C ATOM 709 CE LYS A 51 -2.883 -11.087 -9.071 1.00 0.00 C ATOM 710 NZ LYS A 51 -3.619 -9.829 -9.379 1.00 0.00 N ATOM 0 H LYS A 51 1.060 -8.613 -8.675 1.00 0.00 H new ATOM 0 HA LYS A 51 2.400 -10.824 -9.963 1.00 0.00 H new ATOM 0 HB2 LYS A 51 0.042 -9.206 -10.977 1.00 0.00 H new ATOM 0 HB3 LYS A 51 0.460 -10.860 -11.377 1.00 0.00 H new ATOM 0 HG2 LYS A 51 0.106 -11.334 -8.831 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -0.722 -9.790 -8.810 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -1.925 -10.879 -10.981 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -1.513 -12.355 -10.131 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -3.561 -11.936 -9.160 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.538 -11.062 -8.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -3.862 -9.343 -8.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.019 -9.210 -9.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -4.491 -10.055 -9.899 1.00 0.00 H new ATOM 724 N ALA A 52 2.370 -7.818 -11.333 1.00 0.00 N ATOM 725 CA ALA A 52 3.022 -6.982 -12.334 1.00 0.00 C ATOM 726 C ALA A 52 4.535 -6.976 -12.144 1.00 0.00 C ATOM 727 O ALA A 52 5.289 -7.189 -13.093 1.00 0.00 O ATOM 728 CB ALA A 52 2.474 -5.563 -12.274 1.00 0.00 C ATOM 0 H ALA A 52 1.697 -7.326 -10.746 1.00 0.00 H new ATOM 0 HA ALA A 52 2.808 -7.401 -13.317 1.00 0.00 H new ATOM 0 HB1 ALA A 52 2.969 -4.950 -13.027 1.00 0.00 H new ATOM 0 HB2 ALA A 52 1.401 -5.579 -12.467 1.00 0.00 H new ATOM 0 HB3 ALA A 52 2.658 -5.143 -11.285 1.00 0.00 H new ATOM 734 N GLN A 53 4.971 -6.730 -10.913 1.00 0.00 N ATOM 735 CA GLN A 53 6.394 -6.695 -10.600 1.00 0.00 C ATOM 736 C GLN A 53 6.994 -8.096 -10.635 1.00 0.00 C ATOM 737 O GLN A 53 7.860 -8.392 -11.457 1.00 0.00 O ATOM 738 CB GLN A 53 6.620 -6.065 -9.224 1.00 0.00 C ATOM 739 CG GLN A 53 6.490 -4.550 -9.220 1.00 0.00 C ATOM 740 CD GLN A 53 6.358 -3.980 -7.822 1.00 0.00 C ATOM 741 OE1 GLN A 53 7.303 -3.403 -7.282 1.00 0.00 O ATOM 742 NE2 GLN A 53 5.182 -4.137 -7.226 1.00 0.00 N ATOM 0 H GLN A 53 4.359 -6.552 -10.116 1.00 0.00 H new ATOM 0 HA GLN A 53 6.891 -6.088 -11.356 1.00 0.00 H new ATOM 0 HB2 GLN A 53 5.902 -6.485 -8.519 1.00 0.00 H new ATOM 0 HB3 GLN A 53 7.614 -6.337 -8.868 1.00 0.00 H new ATOM 0 HG2 GLN A 53 7.362 -4.113 -9.706 1.00 0.00 H new ATOM 0 HG3 GLN A 53 5.619 -4.262 -9.809 1.00 0.00 H new ATOM 0 HE21 GLN A 53 4.426 -4.621 -7.710 1.00 0.00 H new ATOM 0 HE22 GLN A 53 5.035 -3.773 -6.285 1.00 0.00 H new ATOM 751 N GLY A 54 6.527 -8.957 -9.735 1.00 0.00 N ATOM 752 CA GLY A 54 7.030 -10.318 -9.680 1.00 0.00 C ATOM 753 C GLY A 54 6.461 -11.099 -8.513 1.00 0.00 C ATOM 754 O GLY A 54 6.888 -10.923 -7.372 1.00 0.00 O ATOM 0 H GLY A 54 5.810 -8.737 -9.044 1.00 0.00 H new ATOM 0 HA2 GLY A 54 6.785 -10.831 -10.610 1.00 0.00 H new ATOM 0 HA3 GLY A 54 8.117 -10.298 -9.604 1.00 0.00 H new ATOM 758 N ALA A 55 5.492 -11.964 -8.797 1.00 0.00 N ATOM 759 CA ALA A 55 4.864 -12.775 -7.761 1.00 0.00 C ATOM 760 C ALA A 55 5.863 -13.749 -7.145 1.00 0.00 C ATOM 761 O ALA A 55 5.908 -13.922 -5.927 1.00 0.00 O ATOM 762 CB ALA A 55 3.672 -13.529 -8.332 1.00 0.00 C ATOM 0 H ALA A 55 5.125 -12.121 -9.736 1.00 0.00 H new ATOM 0 HA ALA A 55 4.515 -12.108 -6.973 1.00 0.00 H new ATOM 0 HB1 ALA A 55 3.212 -14.131 -7.548 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.942 -12.817 -8.718 1.00 0.00 H new ATOM 0 HB3 ALA A 55 4.006 -14.180 -9.140 1.00 0.00 H new ATOM 768 N THR A 56 6.664 -14.384 -7.995 1.00 0.00 N ATOM 769 CA THR A 56 7.661 -15.342 -7.534 1.00 0.00 C ATOM 770 C THR A 56 8.959 -14.642 -7.149 1.00 0.00 C ATOM 771 O THR A 56 9.768 -15.184 -6.396 1.00 0.00 O ATOM 772 CB THR A 56 7.962 -16.401 -8.612 1.00 0.00 C ATOM 773 OG1 THR A 56 9.013 -17.267 -8.167 1.00 0.00 O ATOM 774 CG2 THR A 56 8.363 -15.741 -9.922 1.00 0.00 C ATOM 0 H THR A 56 6.642 -14.252 -9.006 1.00 0.00 H new ATOM 0 HA THR A 56 7.244 -15.836 -6.656 1.00 0.00 H new ATOM 0 HB THR A 56 7.057 -16.984 -8.780 1.00 0.00 H new ATOM 0 HG1 THR A 56 9.198 -17.938 -8.857 1.00 0.00 H new ATOM 0 HG21 THR A 56 8.571 -16.509 -10.668 1.00 0.00 H new ATOM 0 HG22 THR A 56 7.550 -15.105 -10.273 1.00 0.00 H new ATOM 0 HG23 THR A 56 9.256 -15.136 -9.766 1.00 0.00 H new ATOM 782 N GLY A 57 9.152 -13.434 -7.669 1.00 0.00 N ATOM 783 CA GLY A 57 10.354 -12.679 -7.367 1.00 0.00 C ATOM 784 C GLY A 57 10.108 -11.578 -6.356 1.00 0.00 C ATOM 785 O GLY A 57 9.231 -11.697 -5.501 1.00 0.00 O ATOM 0 H GLY A 57 8.497 -12.964 -8.294 1.00 0.00 H new ATOM 0 HA2 GLY A 57 11.118 -13.356 -6.984 1.00 0.00 H new ATOM 0 HA3 GLY A 57 10.746 -12.243 -8.286 1.00 0.00 H new ATOM 789 N GLU A 58 10.885 -10.503 -6.452 1.00 0.00 N ATOM 790 CA GLU A 58 10.748 -9.377 -5.536 1.00 0.00 C ATOM 791 C GLU A 58 9.629 -8.443 -5.986 1.00 0.00 C ATOM 792 O GLU A 58 9.331 -8.341 -7.176 1.00 0.00 O ATOM 793 CB GLU A 58 12.065 -8.605 -5.441 1.00 0.00 C ATOM 794 CG GLU A 58 12.539 -8.043 -6.771 1.00 0.00 C ATOM 795 CD GLU A 58 14.005 -7.657 -6.753 1.00 0.00 C ATOM 796 OE1 GLU A 58 14.738 -8.156 -5.875 1.00 0.00 O ATOM 797 OE2 GLU A 58 14.418 -6.855 -7.617 1.00 0.00 O ATOM 0 H GLU A 58 11.615 -10.389 -7.155 1.00 0.00 H new ATOM 0 HA GLU A 58 10.495 -9.771 -4.552 1.00 0.00 H new ATOM 0 HB2 GLU A 58 11.946 -7.786 -4.732 1.00 0.00 H new ATOM 0 HB3 GLU A 58 12.835 -9.264 -5.040 1.00 0.00 H new ATOM 0 HG2 GLU A 58 12.372 -8.783 -7.554 1.00 0.00 H new ATOM 0 HG3 GLU A 58 11.940 -7.169 -7.026 1.00 0.00 H new ATOM 804 N VAL A 59 9.012 -7.763 -5.024 1.00 0.00 N ATOM 805 CA VAL A 59 7.925 -6.836 -5.320 1.00 0.00 C ATOM 806 C VAL A 59 8.171 -5.477 -4.675 1.00 0.00 C ATOM 807 O VAL A 59 8.001 -5.312 -3.467 1.00 0.00 O ATOM 808 CB VAL A 59 6.571 -7.385 -4.834 1.00 0.00 C ATOM 809 CG1 VAL A 59 5.464 -6.373 -5.082 1.00 0.00 C ATOM 810 CG2 VAL A 59 6.257 -8.709 -5.516 1.00 0.00 C ATOM 0 H VAL A 59 9.246 -7.837 -4.034 1.00 0.00 H new ATOM 0 HA VAL A 59 7.894 -6.721 -6.403 1.00 0.00 H new ATOM 0 HB VAL A 59 6.635 -7.562 -3.760 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.515 -6.779 -4.732 1.00 0.00 H new ATOM 0 HG12 VAL A 59 5.686 -5.452 -4.543 1.00 0.00 H new ATOM 0 HG13 VAL A 59 5.397 -6.162 -6.149 1.00 0.00 H new ATOM 0 HG21 VAL A 59 5.297 -9.083 -5.161 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.212 -8.561 -6.595 1.00 0.00 H new ATOM 0 HG23 VAL A 59 7.037 -9.433 -5.281 1.00 0.00 H new ATOM 820 N TYR A 60 8.573 -4.507 -5.489 1.00 0.00 N ATOM 821 CA TYR A 60 8.844 -3.161 -4.997 1.00 0.00 C ATOM 822 C TYR A 60 7.546 -2.404 -4.735 1.00 0.00 C ATOM 823 O TYR A 60 6.463 -2.857 -5.108 1.00 0.00 O ATOM 824 CB TYR A 60 9.702 -2.391 -6.003 1.00 0.00 C ATOM 825 CG TYR A 60 11.147 -2.834 -6.030 1.00 0.00 C ATOM 826 CD1 TYR A 60 11.481 -4.183 -6.015 1.00 0.00 C ATOM 827 CD2 TYR A 60 12.179 -1.904 -6.071 1.00 0.00 C ATOM 828 CE1 TYR A 60 12.800 -4.592 -6.039 1.00 0.00 C ATOM 829 CE2 TYR A 60 13.501 -2.305 -6.097 1.00 0.00 C ATOM 830 CZ TYR A 60 13.806 -3.650 -6.080 1.00 0.00 C ATOM 831 OH TYR A 60 15.122 -4.052 -6.105 1.00 0.00 O ATOM 0 H TYR A 60 8.718 -4.627 -6.491 1.00 0.00 H new ATOM 0 HA TYR A 60 9.388 -3.249 -4.057 1.00 0.00 H new ATOM 0 HB2 TYR A 60 9.275 -2.511 -6.999 1.00 0.00 H new ATOM 0 HB3 TYR A 60 9.661 -1.328 -5.765 1.00 0.00 H new ATOM 0 HD1 TYR A 60 10.696 -4.924 -5.984 1.00 0.00 H new ATOM 0 HD2 TYR A 60 11.944 -0.850 -6.083 1.00 0.00 H new ATOM 0 HE1 TYR A 60 13.042 -5.644 -6.026 1.00 0.00 H new ATOM 0 HE2 TYR A 60 14.291 -1.569 -6.130 1.00 0.00 H new ATOM 0 HH TYR A 60 15.190 -4.921 -6.553 1.00 0.00 H new ATOM 841 N CYS A 61 7.662 -1.248 -4.090 1.00 0.00 N ATOM 842 CA CYS A 61 6.500 -0.426 -3.777 1.00 0.00 C ATOM 843 C CYS A 61 5.476 -0.479 -4.907 1.00 0.00 C ATOM 844 O CYS A 61 5.811 -0.374 -6.087 1.00 0.00 O ATOM 845 CB CYS A 61 6.925 1.022 -3.527 1.00 0.00 C ATOM 846 SG CYS A 61 5.655 2.040 -2.708 1.00 0.00 S ATOM 0 H CYS A 61 8.550 -0.859 -3.774 1.00 0.00 H new ATOM 0 HA CYS A 61 6.039 -0.823 -2.873 1.00 0.00 H new ATOM 0 HB2 CYS A 61 7.827 1.024 -2.915 1.00 0.00 H new ATOM 0 HB3 CYS A 61 7.185 1.483 -4.480 1.00 0.00 H new ATOM 851 N PRO A 62 4.196 -0.645 -4.539 1.00 0.00 N ATOM 852 CA PRO A 62 3.097 -0.714 -5.506 1.00 0.00 C ATOM 853 C PRO A 62 2.832 0.628 -6.180 1.00 0.00 C ATOM 854 O PRO A 62 1.878 0.772 -6.945 1.00 0.00 O ATOM 855 CB PRO A 62 1.898 -1.129 -4.651 1.00 0.00 C ATOM 856 CG PRO A 62 2.231 -0.659 -3.277 1.00 0.00 C ATOM 857 CD PRO A 62 3.725 -0.776 -3.150 1.00 0.00 C ATOM 0 HA PRO A 62 3.315 -1.403 -6.322 1.00 0.00 H new ATOM 0 HB2 PRO A 62 0.977 -0.672 -5.013 1.00 0.00 H new ATOM 0 HB3 PRO A 62 1.750 -2.209 -4.675 1.00 0.00 H new ATOM 0 HG2 PRO A 62 1.906 0.371 -3.127 1.00 0.00 H new ATOM 0 HG3 PRO A 62 1.727 -1.265 -2.524 1.00 0.00 H new ATOM 0 HD2 PRO A 62 4.136 0.005 -2.511 1.00 0.00 H new ATOM 0 HD3 PRO A 62 4.018 -1.731 -2.715 1.00 0.00 H new ATOM 865 N SER A 63 3.682 1.608 -5.891 1.00 0.00 N ATOM 866 CA SER A 63 3.537 2.940 -6.467 1.00 0.00 C ATOM 867 C SER A 63 4.495 3.133 -7.639 1.00 0.00 C ATOM 868 O SER A 63 4.239 3.929 -8.540 1.00 0.00 O ATOM 869 CB SER A 63 3.793 4.009 -5.403 1.00 0.00 C ATOM 870 OG SER A 63 5.180 4.158 -5.153 1.00 0.00 O ATOM 0 H SER A 63 4.478 1.505 -5.262 1.00 0.00 H new ATOM 0 HA SER A 63 2.516 3.041 -6.835 1.00 0.00 H new ATOM 0 HB2 SER A 63 3.375 4.961 -5.731 1.00 0.00 H new ATOM 0 HB3 SER A 63 3.281 3.738 -4.480 1.00 0.00 H new ATOM 0 HG SER A 63 5.447 3.561 -4.423 1.00 0.00 H new ATOM 876 N GLY A 64 5.602 2.396 -7.617 1.00 0.00 N ATOM 877 CA GLY A 64 6.582 2.500 -8.682 1.00 0.00 C ATOM 878 C GLY A 64 7.685 3.489 -8.360 1.00 0.00 C ATOM 879 O GLY A 64 8.264 4.095 -9.261 1.00 0.00 O ATOM 0 H GLY A 64 5.837 1.730 -6.881 1.00 0.00 H new ATOM 0 HA2 GLY A 64 7.020 1.519 -8.866 1.00 0.00 H new ATOM 0 HA3 GLY A 64 6.083 2.804 -9.602 1.00 0.00 H new ATOM 883 N GLU A 65 7.974 3.653 -7.073 1.00 0.00 N ATOM 884 CA GLU A 65 9.013 4.578 -6.636 1.00 0.00 C ATOM 885 C GLU A 65 10.119 3.840 -5.889 1.00 0.00 C ATOM 886 O GLU A 65 10.952 4.456 -5.222 1.00 0.00 O ATOM 887 CB GLU A 65 8.415 5.666 -5.741 1.00 0.00 C ATOM 888 CG GLU A 65 7.304 6.460 -6.407 1.00 0.00 C ATOM 889 CD GLU A 65 7.818 7.379 -7.498 1.00 0.00 C ATOM 890 OE1 GLU A 65 8.620 6.915 -8.335 1.00 0.00 O ATOM 891 OE2 GLU A 65 7.418 8.562 -7.516 1.00 0.00 O ATOM 0 H GLU A 65 7.504 3.158 -6.315 1.00 0.00 H new ATOM 0 HA GLU A 65 9.445 5.044 -7.522 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.026 5.205 -4.833 1.00 0.00 H new ATOM 0 HB3 GLU A 65 9.207 6.350 -5.437 1.00 0.00 H new ATOM 0 HG2 GLU A 65 6.574 5.771 -6.832 1.00 0.00 H new ATOM 0 HG3 GLU A 65 6.783 7.052 -5.654 1.00 0.00 H new ATOM 898 N LYS A 66 10.122 2.517 -6.004 1.00 0.00 N ATOM 899 CA LYS A 66 11.125 1.692 -5.341 1.00 0.00 C ATOM 900 C LYS A 66 11.528 2.298 -4.001 1.00 0.00 C ATOM 901 O LYS A 66 12.714 2.463 -3.713 1.00 0.00 O ATOM 902 CB LYS A 66 12.358 1.537 -6.234 1.00 0.00 C ATOM 903 CG LYS A 66 12.032 1.101 -7.652 1.00 0.00 C ATOM 904 CD LYS A 66 13.166 0.293 -8.261 1.00 0.00 C ATOM 905 CE LYS A 66 14.515 0.950 -8.012 1.00 0.00 C ATOM 906 NZ LYS A 66 15.485 0.657 -9.103 1.00 0.00 N ATOM 0 H LYS A 66 9.440 1.992 -6.551 1.00 0.00 H new ATOM 0 HA LYS A 66 10.689 0.710 -5.159 1.00 0.00 H new ATOM 0 HB2 LYS A 66 12.893 2.486 -6.269 1.00 0.00 H new ATOM 0 HB3 LYS A 66 13.032 0.808 -5.785 1.00 0.00 H new ATOM 0 HG2 LYS A 66 11.119 0.505 -7.650 1.00 0.00 H new ATOM 0 HG3 LYS A 66 11.838 1.979 -8.268 1.00 0.00 H new ATOM 0 HD2 LYS A 66 13.166 -0.712 -7.838 1.00 0.00 H new ATOM 0 HD3 LYS A 66 13.004 0.188 -9.334 1.00 0.00 H new ATOM 0 HE2 LYS A 66 14.383 2.028 -7.924 1.00 0.00 H new ATOM 0 HE3 LYS A 66 14.920 0.600 -7.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 16.392 1.123 -8.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 15.631 -0.370 -9.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 15.111 1.014 -10.005 1.00 0.00 H new ATOM 920 N CYS A 67 10.534 2.627 -3.182 1.00 0.00 N ATOM 921 CA CYS A 67 10.784 3.214 -1.871 1.00 0.00 C ATOM 922 C CYS A 67 11.554 2.244 -0.980 1.00 0.00 C ATOM 923 O CYS A 67 11.080 1.159 -0.645 1.00 0.00 O ATOM 924 CB CYS A 67 9.463 3.600 -1.202 1.00 0.00 C ATOM 925 SG CYS A 67 8.314 4.501 -2.291 1.00 0.00 S ATOM 0 H CYS A 67 9.547 2.497 -3.404 1.00 0.00 H new ATOM 0 HA CYS A 67 11.388 4.110 -2.010 1.00 0.00 H new ATOM 0 HB2 CYS A 67 8.972 2.696 -0.842 1.00 0.00 H new ATOM 0 HB3 CYS A 67 9.677 4.216 -0.328 1.00 0.00 H new ATOM 930 N PRO A 68 12.772 2.644 -0.584 1.00 0.00 N ATOM 931 CA PRO A 68 13.634 1.827 0.274 1.00 0.00 C ATOM 932 C PRO A 68 13.099 1.720 1.699 1.00 0.00 C ATOM 933 O PRO A 68 12.242 2.502 2.111 1.00 0.00 O ATOM 934 CB PRO A 68 14.967 2.579 0.259 1.00 0.00 C ATOM 935 CG PRO A 68 14.601 3.992 -0.041 1.00 0.00 C ATOM 936 CD PRO A 68 13.401 3.926 -0.945 1.00 0.00 C ATOM 0 HA PRO A 68 13.705 0.799 -0.081 1.00 0.00 H new ATOM 0 HB2 PRO A 68 15.478 2.498 1.218 1.00 0.00 H new ATOM 0 HB3 PRO A 68 15.641 2.175 -0.497 1.00 0.00 H new ATOM 0 HG2 PRO A 68 14.371 4.538 0.874 1.00 0.00 H new ATOM 0 HG3 PRO A 68 15.426 4.514 -0.525 1.00 0.00 H new ATOM 0 HD2 PRO A 68 12.726 4.766 -0.779 1.00 0.00 H new ATOM 0 HD3 PRO A 68 13.688 3.951 -1.996 1.00 0.00 H new ATOM 944 N LEU A 69 13.611 0.748 2.446 1.00 0.00 N ATOM 945 CA LEU A 69 13.185 0.539 3.825 1.00 0.00 C ATOM 946 C LEU A 69 13.590 1.718 4.705 1.00 0.00 C ATOM 947 O LEU A 69 14.573 2.405 4.427 1.00 0.00 O ATOM 948 CB LEU A 69 13.790 -0.754 4.376 1.00 0.00 C ATOM 949 CG LEU A 69 12.997 -2.033 4.107 1.00 0.00 C ATOM 950 CD1 LEU A 69 13.931 -3.230 4.012 1.00 0.00 C ATOM 951 CD2 LEU A 69 11.954 -2.253 5.193 1.00 0.00 C ATOM 0 H LEU A 69 14.321 0.093 2.120 1.00 0.00 H new ATOM 0 HA LEU A 69 12.098 0.458 3.835 1.00 0.00 H new ATOM 0 HB2 LEU A 69 14.788 -0.873 3.954 1.00 0.00 H new ATOM 0 HB3 LEU A 69 13.911 -0.645 5.454 1.00 0.00 H new ATOM 0 HG LEU A 69 12.481 -1.924 3.153 1.00 0.00 H new ATOM 0 HD11 LEU A 69 13.349 -4.131 3.820 1.00 0.00 H new ATOM 0 HD12 LEU A 69 14.639 -3.075 3.198 1.00 0.00 H new ATOM 0 HD13 LEU A 69 14.475 -3.342 4.950 1.00 0.00 H new ATOM 0 HD21 LEU A 69 11.399 -3.168 4.985 1.00 0.00 H new ATOM 0 HD22 LEU A 69 12.449 -2.341 6.160 1.00 0.00 H new ATOM 0 HD23 LEU A 69 11.266 -1.408 5.213 1.00 0.00 H new ATOM 963 N VAL A 70 12.826 1.945 5.769 1.00 0.00 N ATOM 964 CA VAL A 70 13.107 3.039 6.691 1.00 0.00 C ATOM 965 C VAL A 70 14.355 2.754 7.518 1.00 0.00 C ATOM 966 O VAL A 70 15.198 3.630 7.711 1.00 0.00 O ATOM 967 CB VAL A 70 11.921 3.289 7.642 1.00 0.00 C ATOM 968 CG1 VAL A 70 11.560 2.016 8.393 1.00 0.00 C ATOM 969 CG2 VAL A 70 12.245 4.416 8.612 1.00 0.00 C ATOM 0 H VAL A 70 12.008 1.386 6.014 1.00 0.00 H new ATOM 0 HA VAL A 70 13.272 3.930 6.085 1.00 0.00 H new ATOM 0 HB VAL A 70 11.058 3.588 7.047 1.00 0.00 H new ATOM 0 HG11 VAL A 70 10.720 2.213 9.060 1.00 0.00 H new ATOM 0 HG12 VAL A 70 11.283 1.239 7.680 1.00 0.00 H new ATOM 0 HG13 VAL A 70 12.417 1.683 8.978 1.00 0.00 H new ATOM 0 HG21 VAL A 70 11.397 4.579 9.276 1.00 0.00 H new ATOM 0 HG22 VAL A 70 13.121 4.148 9.202 1.00 0.00 H new ATOM 0 HG23 VAL A 70 12.449 5.329 8.053 1.00 0.00 H new ATOM 979 N GLY A 71 14.469 1.522 8.004 1.00 0.00 N ATOM 980 CA GLY A 71 15.619 1.142 8.804 1.00 0.00 C ATOM 981 C GLY A 71 16.676 0.420 7.993 1.00 0.00 C ATOM 982 O GLY A 71 17.513 -0.293 8.547 1.00 0.00 O ATOM 0 H GLY A 71 13.785 0.780 7.858 1.00 0.00 H new ATOM 0 HA2 GLY A 71 16.056 2.034 9.253 1.00 0.00 H new ATOM 0 HA3 GLY A 71 15.292 0.501 9.623 1.00 0.00 H new ATOM 986 N SER A 72 16.639 0.603 6.677 1.00 0.00 N ATOM 987 CA SER A 72 17.598 -0.041 5.788 1.00 0.00 C ATOM 988 C SER A 72 17.634 0.656 4.431 1.00 0.00 C ATOM 989 O SER A 72 16.860 1.576 4.173 1.00 0.00 O ATOM 990 CB SER A 72 17.244 -1.519 5.606 1.00 0.00 C ATOM 991 OG SER A 72 17.879 -2.320 6.587 1.00 0.00 O ATOM 0 H SER A 72 15.955 1.192 6.203 1.00 0.00 H new ATOM 0 HA SER A 72 18.586 0.035 6.243 1.00 0.00 H new ATOM 0 HB2 SER A 72 16.164 -1.648 5.670 1.00 0.00 H new ATOM 0 HB3 SER A 72 17.546 -1.849 4.612 1.00 0.00 H new ATOM 0 HG SER A 72 17.916 -1.831 7.435 1.00 0.00 H new ATOM 997 N ASN A 73 18.541 0.209 3.568 1.00 0.00 N ATOM 998 CA ASN A 73 18.680 0.790 2.237 1.00 0.00 C ATOM 999 C ASN A 73 18.204 -0.186 1.166 1.00 0.00 C ATOM 1000 O ASN A 73 18.793 -0.279 0.089 1.00 0.00 O ATOM 1001 CB ASN A 73 20.137 1.178 1.978 1.00 0.00 C ATOM 1002 CG ASN A 73 20.355 1.695 0.569 1.00 0.00 C ATOM 1003 OD1 ASN A 73 19.700 2.643 0.135 1.00 0.00 O ATOM 1004 ND2 ASN A 73 21.280 1.073 -0.153 1.00 0.00 N ATOM 0 H ASN A 73 19.190 -0.553 3.766 1.00 0.00 H new ATOM 0 HA ASN A 73 18.059 1.684 2.190 1.00 0.00 H new ATOM 0 HB2 ASN A 73 20.439 1.943 2.694 1.00 0.00 H new ATOM 0 HB3 ASN A 73 20.777 0.312 2.147 1.00 0.00 H new ATOM 0 HD21 ASN A 73 21.471 1.377 -1.108 1.00 0.00 H new ATOM 0 HD22 ASN A 73 21.799 0.291 0.247 1.00 0.00 H new ATOM 1011 N VAL A 74 17.132 -0.912 1.469 1.00 0.00 N ATOM 1012 CA VAL A 74 16.574 -1.880 0.531 1.00 0.00 C ATOM 1013 C VAL A 74 15.061 -1.729 0.421 1.00 0.00 C ATOM 1014 O VAL A 74 14.359 -1.521 1.410 1.00 0.00 O ATOM 1015 CB VAL A 74 16.906 -3.324 0.952 1.00 0.00 C ATOM 1016 CG1 VAL A 74 16.243 -4.320 0.012 1.00 0.00 C ATOM 1017 CG2 VAL A 74 18.412 -3.535 0.990 1.00 0.00 C ATOM 0 H VAL A 74 16.633 -0.848 2.356 1.00 0.00 H new ATOM 0 HA VAL A 74 17.028 -1.679 -0.440 1.00 0.00 H new ATOM 0 HB VAL A 74 16.514 -3.491 1.955 1.00 0.00 H new ATOM 0 HG11 VAL A 74 16.489 -5.335 0.325 1.00 0.00 H new ATOM 0 HG12 VAL A 74 15.162 -4.183 0.041 1.00 0.00 H new ATOM 0 HG13 VAL A 74 16.603 -4.157 -1.004 1.00 0.00 H new ATOM 0 HG21 VAL A 74 18.628 -4.561 1.289 1.00 0.00 H new ATOM 0 HG22 VAL A 74 18.830 -3.350 0.001 1.00 0.00 H new ATOM 0 HG23 VAL A 74 18.858 -2.846 1.707 1.00 0.00 H new ATOM 1027 N PRO A 75 14.545 -1.836 -0.813 1.00 0.00 N ATOM 1028 CA PRO A 75 13.109 -1.715 -1.082 1.00 0.00 C ATOM 1029 C PRO A 75 12.316 -2.900 -0.541 1.00 0.00 C ATOM 1030 O PRO A 75 12.408 -4.011 -1.064 1.00 0.00 O ATOM 1031 CB PRO A 75 13.037 -1.677 -2.611 1.00 0.00 C ATOM 1032 CG PRO A 75 14.267 -2.385 -3.066 1.00 0.00 C ATOM 1033 CD PRO A 75 15.323 -2.083 -2.038 1.00 0.00 C ATOM 0 HA PRO A 75 12.676 -0.839 -0.599 1.00 0.00 H new ATOM 0 HB2 PRO A 75 12.137 -2.171 -2.977 1.00 0.00 H new ATOM 0 HB3 PRO A 75 13.011 -0.652 -2.981 1.00 0.00 H new ATOM 0 HG2 PRO A 75 14.093 -3.458 -3.143 1.00 0.00 H new ATOM 0 HG3 PRO A 75 14.573 -2.040 -4.053 1.00 0.00 H new ATOM 0 HD2 PRO A 75 16.014 -2.917 -1.914 1.00 0.00 H new ATOM 0 HD3 PRO A 75 15.919 -1.214 -2.317 1.00 0.00 H new ATOM 1041 N TRP A 76 11.539 -2.656 0.507 1.00 0.00 N ATOM 1042 CA TRP A 76 10.729 -3.704 1.119 1.00 0.00 C ATOM 1043 C TRP A 76 10.000 -4.519 0.056 1.00 0.00 C ATOM 1044 O TRP A 76 9.058 -4.035 -0.571 1.00 0.00 O ATOM 1045 CB TRP A 76 9.720 -3.095 2.093 1.00 0.00 C ATOM 1046 CG TRP A 76 9.001 -1.904 1.536 1.00 0.00 C ATOM 1047 CD1 TRP A 76 9.448 -0.613 1.513 1.00 0.00 C ATOM 1048 CD2 TRP A 76 7.708 -1.893 0.923 1.00 0.00 C ATOM 1049 NE1 TRP A 76 8.510 0.199 0.923 1.00 0.00 N ATOM 1050 CE2 TRP A 76 7.433 -0.562 0.551 1.00 0.00 C ATOM 1051 CE3 TRP A 76 6.755 -2.878 0.649 1.00 0.00 C ATOM 1052 CZ2 TRP A 76 6.247 -0.195 -0.077 1.00 0.00 C ATOM 1053 CZ3 TRP A 76 5.578 -2.512 0.026 1.00 0.00 C ATOM 1054 CH2 TRP A 76 5.332 -1.180 -0.333 1.00 0.00 C ATOM 0 H TRP A 76 11.452 -1.742 0.951 1.00 0.00 H new ATOM 0 HA TRP A 76 11.396 -4.370 1.667 1.00 0.00 H new ATOM 0 HB2 TRP A 76 8.989 -3.855 2.370 1.00 0.00 H new ATOM 0 HB3 TRP A 76 10.238 -2.803 3.006 1.00 0.00 H new ATOM 0 HD1 TRP A 76 10.399 -0.280 1.902 1.00 0.00 H new ATOM 0 HE1 TRP A 76 8.601 1.205 0.784 1.00 0.00 H new ATOM 0 HE3 TRP A 76 6.936 -3.908 0.920 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 6.055 0.831 -0.353 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 4.834 -3.265 -0.188 1.00 0.00 H new ATOM 0 HH2 TRP A 76 4.403 -0.926 -0.821 1.00 0.00 H new ATOM 1065 N ALA A 77 10.441 -5.757 -0.141 1.00 0.00 N ATOM 1066 CA ALA A 77 9.828 -6.638 -1.127 1.00 0.00 C ATOM 1067 C ALA A 77 9.005 -7.729 -0.451 1.00 0.00 C ATOM 1068 O ALA A 77 9.550 -8.607 0.218 1.00 0.00 O ATOM 1069 CB ALA A 77 10.895 -7.255 -2.019 1.00 0.00 C ATOM 0 H ALA A 77 11.220 -6.172 0.369 1.00 0.00 H new ATOM 0 HA ALA A 77 9.156 -6.041 -1.743 1.00 0.00 H new ATOM 0 HB1 ALA A 77 10.423 -7.911 -2.751 1.00 0.00 H new ATOM 0 HB2 ALA A 77 11.438 -6.464 -2.537 1.00 0.00 H new ATOM 0 HB3 ALA A 77 11.590 -7.833 -1.409 1.00 0.00 H new ATOM 1075 N PHE A 78 7.690 -7.668 -0.629 1.00 0.00 N ATOM 1076 CA PHE A 78 6.791 -8.650 -0.035 1.00 0.00 C ATOM 1077 C PHE A 78 7.452 -10.024 0.028 1.00 0.00 C ATOM 1078 O PHE A 78 8.117 -10.448 -0.917 1.00 0.00 O ATOM 1079 CB PHE A 78 5.490 -8.734 -0.836 1.00 0.00 C ATOM 1080 CG PHE A 78 4.638 -7.502 -0.726 1.00 0.00 C ATOM 1081 CD1 PHE A 78 3.810 -7.312 0.369 1.00 0.00 C ATOM 1082 CD2 PHE A 78 4.665 -6.534 -1.717 1.00 0.00 C ATOM 1083 CE1 PHE A 78 3.025 -6.180 0.473 1.00 0.00 C ATOM 1084 CE2 PHE A 78 3.882 -5.399 -1.618 1.00 0.00 C ATOM 1085 CZ PHE A 78 3.061 -5.222 -0.521 1.00 0.00 C ATOM 0 H PHE A 78 7.223 -6.948 -1.180 1.00 0.00 H new ATOM 0 HA PHE A 78 6.563 -8.328 0.981 1.00 0.00 H new ATOM 0 HB2 PHE A 78 5.729 -8.908 -1.885 1.00 0.00 H new ATOM 0 HB3 PHE A 78 4.916 -9.595 -0.493 1.00 0.00 H new ATOM 0 HD1 PHE A 78 3.778 -8.057 1.150 1.00 0.00 H new ATOM 0 HD2 PHE A 78 5.305 -6.668 -2.577 1.00 0.00 H new ATOM 0 HE1 PHE A 78 2.384 -6.044 1.331 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.912 -4.652 -2.397 1.00 0.00 H new ATOM 0 HZ PHE A 78 2.449 -4.336 -0.441 1.00 0.00 H new ATOM 1095 N MET A 79 7.263 -10.714 1.148 1.00 0.00 N ATOM 1096 CA MET A 79 7.841 -12.041 1.334 1.00 0.00 C ATOM 1097 C MET A 79 6.781 -13.124 1.159 1.00 0.00 C ATOM 1098 O MET A 79 5.584 -12.851 1.239 1.00 0.00 O ATOM 1099 CB MET A 79 8.477 -12.153 2.721 1.00 0.00 C ATOM 1100 CG MET A 79 7.463 -12.270 3.847 1.00 0.00 C ATOM 1101 SD MET A 79 6.976 -10.666 4.512 1.00 0.00 S ATOM 1102 CE MET A 79 6.532 -11.116 6.189 1.00 0.00 C ATOM 0 H MET A 79 6.715 -10.377 1.940 1.00 0.00 H new ATOM 0 HA MET A 79 8.611 -12.185 0.576 1.00 0.00 H new ATOM 0 HB2 MET A 79 9.133 -13.023 2.742 1.00 0.00 H new ATOM 0 HB3 MET A 79 9.103 -11.278 2.896 1.00 0.00 H new ATOM 0 HG2 MET A 79 6.578 -12.791 3.481 1.00 0.00 H new ATOM 0 HG3 MET A 79 7.883 -12.879 4.648 1.00 0.00 H new ATOM 0 HE1 MET A 79 6.208 -10.227 6.731 1.00 0.00 H new ATOM 0 HE2 MET A 79 5.721 -11.844 6.168 1.00 0.00 H new ATOM 0 HE3 MET A 79 7.397 -11.551 6.690 1.00 0.00 H new ATOM 1112 N GLN A 80 7.231 -14.352 0.920 1.00 0.00 N ATOM 1113 CA GLN A 80 6.320 -15.475 0.732 1.00 0.00 C ATOM 1114 C GLN A 80 5.088 -15.331 1.619 1.00 0.00 C ATOM 1115 O GLN A 80 3.961 -15.541 1.173 1.00 0.00 O ATOM 1116 CB GLN A 80 7.033 -16.793 1.039 1.00 0.00 C ATOM 1117 CG GLN A 80 7.917 -17.285 -0.095 1.00 0.00 C ATOM 1118 CD GLN A 80 7.244 -17.178 -1.449 1.00 0.00 C ATOM 1119 OE1 GLN A 80 6.499 -18.069 -1.857 1.00 0.00 O ATOM 1120 NE2 GLN A 80 7.503 -16.082 -2.154 1.00 0.00 N ATOM 0 H GLN A 80 8.220 -14.594 0.852 1.00 0.00 H new ATOM 0 HA GLN A 80 5.997 -15.478 -0.309 1.00 0.00 H new ATOM 0 HB2 GLN A 80 7.642 -16.667 1.935 1.00 0.00 H new ATOM 0 HB3 GLN A 80 6.288 -17.556 1.265 1.00 0.00 H new ATOM 0 HG2 GLN A 80 8.841 -16.708 -0.107 1.00 0.00 H new ATOM 0 HG3 GLN A 80 8.192 -18.324 0.088 1.00 0.00 H new ATOM 0 HE21 GLN A 80 8.127 -15.369 -1.777 1.00 0.00 H new ATOM 0 HE22 GLN A 80 7.078 -15.954 -3.072 1.00 0.00 H new ATOM 1129 N GLY A 81 5.311 -14.971 2.880 1.00 0.00 N ATOM 1130 CA GLY A 81 4.209 -14.806 3.810 1.00 0.00 C ATOM 1131 C GLY A 81 3.209 -13.766 3.346 1.00 0.00 C ATOM 1132 O GLY A 81 2.090 -14.101 2.960 1.00 0.00 O ATOM 0 H GLY A 81 6.235 -14.791 3.274 1.00 0.00 H new ATOM 0 HA2 GLY A 81 3.701 -15.762 3.940 1.00 0.00 H new ATOM 0 HA3 GLY A 81 4.601 -14.519 4.786 1.00 0.00 H new ATOM 1136 N GLU A 82 3.614 -12.500 3.384 1.00 0.00 N ATOM 1137 CA GLU A 82 2.743 -11.408 2.965 1.00 0.00 C ATOM 1138 C GLU A 82 2.242 -11.627 1.540 1.00 0.00 C ATOM 1139 O GLU A 82 1.036 -11.653 1.293 1.00 0.00 O ATOM 1140 CB GLU A 82 3.483 -10.072 3.058 1.00 0.00 C ATOM 1141 CG GLU A 82 2.567 -8.884 3.300 1.00 0.00 C ATOM 1142 CD GLU A 82 3.257 -7.756 4.041 1.00 0.00 C ATOM 1143 OE1 GLU A 82 4.457 -7.523 3.781 1.00 0.00 O ATOM 1144 OE2 GLU A 82 2.600 -7.107 4.881 1.00 0.00 O ATOM 0 H GLU A 82 4.538 -12.206 3.700 1.00 0.00 H new ATOM 0 HA GLU A 82 1.883 -11.386 3.634 1.00 0.00 H new ATOM 0 HB2 GLU A 82 4.214 -10.127 3.865 1.00 0.00 H new ATOM 0 HB3 GLU A 82 4.039 -9.909 2.135 1.00 0.00 H new ATOM 0 HG2 GLU A 82 2.199 -8.513 2.343 1.00 0.00 H new ATOM 0 HG3 GLU A 82 1.698 -9.211 3.871 1.00 0.00 H new ATOM 1151 N ILE A 83 3.176 -11.782 0.609 1.00 0.00 N ATOM 1152 CA ILE A 83 2.830 -11.999 -0.791 1.00 0.00 C ATOM 1153 C ILE A 83 1.564 -12.840 -0.920 1.00 0.00 C ATOM 1154 O ILE A 83 0.756 -12.628 -1.823 1.00 0.00 O ATOM 1155 CB ILE A 83 3.974 -12.693 -1.553 1.00 0.00 C ATOM 1156 CG1 ILE A 83 5.217 -11.801 -1.573 1.00 0.00 C ATOM 1157 CG2 ILE A 83 3.537 -13.034 -2.969 1.00 0.00 C ATOM 1158 CD1 ILE A 83 6.399 -12.428 -2.279 1.00 0.00 C ATOM 0 H ILE A 83 4.178 -11.762 0.798 1.00 0.00 H new ATOM 0 HA ILE A 83 2.657 -11.016 -1.229 1.00 0.00 H new ATOM 0 HB ILE A 83 4.224 -13.621 -1.038 1.00 0.00 H new ATOM 0 HG12 ILE A 83 4.970 -10.859 -2.062 1.00 0.00 H new ATOM 0 HG13 ILE A 83 5.501 -11.564 -0.548 1.00 0.00 H new ATOM 0 HG21 ILE A 83 4.357 -13.524 -3.495 1.00 0.00 H new ATOM 0 HG22 ILE A 83 2.677 -13.703 -2.933 1.00 0.00 H new ATOM 0 HG23 ILE A 83 3.263 -12.120 -3.496 1.00 0.00 H new ATOM 0 HD11 ILE A 83 7.244 -11.740 -2.255 1.00 0.00 H new ATOM 0 HD12 ILE A 83 6.672 -13.356 -1.777 1.00 0.00 H new ATOM 0 HD13 ILE A 83 6.134 -12.640 -3.315 1.00 0.00 H new ATOM 1170 N ALA A 84 1.399 -13.794 -0.009 1.00 0.00 N ATOM 1171 CA ALA A 84 0.230 -14.664 -0.019 1.00 0.00 C ATOM 1172 C ALA A 84 -0.885 -14.096 0.852 1.00 0.00 C ATOM 1173 O ALA A 84 -2.059 -14.134 0.480 1.00 0.00 O ATOM 1174 CB ALA A 84 0.608 -16.061 0.451 1.00 0.00 C ATOM 0 H ALA A 84 2.060 -13.983 0.745 1.00 0.00 H new ATOM 0 HA ALA A 84 -0.139 -14.723 -1.043 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -0.275 -16.700 0.439 1.00 0.00 H new ATOM 0 HB2 ALA A 84 1.366 -16.476 -0.214 1.00 0.00 H new ATOM 0 HB3 ALA A 84 1.004 -16.009 1.465 1.00 0.00 H new ATOM 1180 N THR A 85 -0.512 -13.568 2.014 1.00 0.00 N ATOM 1181 CA THR A 85 -1.481 -12.993 2.938 1.00 0.00 C ATOM 1182 C THR A 85 -2.382 -11.986 2.234 1.00 0.00 C ATOM 1183 O THR A 85 -3.595 -11.967 2.449 1.00 0.00 O ATOM 1184 CB THR A 85 -0.783 -12.300 4.124 1.00 0.00 C ATOM 1185 OG1 THR A 85 -0.058 -13.263 4.897 1.00 0.00 O ATOM 1186 CG2 THR A 85 -1.797 -11.592 5.009 1.00 0.00 C ATOM 0 H THR A 85 0.455 -13.527 2.337 1.00 0.00 H new ATOM 0 HA THR A 85 -2.087 -13.817 3.314 1.00 0.00 H new ATOM 0 HB THR A 85 -0.090 -11.558 3.726 1.00 0.00 H new ATOM 0 HG1 THR A 85 0.683 -13.619 4.364 1.00 0.00 H new ATOM 0 HG21 THR A 85 -1.281 -11.110 5.840 1.00 0.00 H new ATOM 0 HG22 THR A 85 -2.327 -10.839 4.425 1.00 0.00 H new ATOM 0 HG23 THR A 85 -2.511 -12.318 5.398 1.00 0.00 H new ATOM 1194 N ILE A 86 -1.783 -11.150 1.392 1.00 0.00 N ATOM 1195 CA ILE A 86 -2.533 -10.141 0.655 1.00 0.00 C ATOM 1196 C ILE A 86 -3.267 -10.758 -0.531 1.00 0.00 C ATOM 1197 O ILE A 86 -4.480 -10.600 -0.676 1.00 0.00 O ATOM 1198 CB ILE A 86 -1.613 -9.016 0.146 1.00 0.00 C ATOM 1199 CG1 ILE A 86 -0.915 -8.328 1.321 1.00 0.00 C ATOM 1200 CG2 ILE A 86 -2.410 -8.007 -0.667 1.00 0.00 C ATOM 1201 CD1 ILE A 86 0.378 -7.642 0.938 1.00 0.00 C ATOM 0 H ILE A 86 -0.781 -11.152 1.204 1.00 0.00 H new ATOM 0 HA ILE A 86 -3.260 -9.719 1.349 1.00 0.00 H new ATOM 0 HB ILE A 86 -0.852 -9.454 -0.500 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.592 -7.593 1.755 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -0.709 -9.068 2.095 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -1.746 -7.218 -1.020 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -2.866 -8.507 -1.522 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -3.191 -7.572 -0.043 1.00 0.00 H new ATOM 0 HD11 ILE A 86 0.818 -7.176 1.820 1.00 0.00 H new ATOM 0 HD12 ILE A 86 1.073 -8.377 0.531 1.00 0.00 H new ATOM 0 HD13 ILE A 86 0.176 -6.878 0.187 1.00 0.00 H new ATOM 1213 N LEU A 87 -2.524 -11.463 -1.377 1.00 0.00 N ATOM 1214 CA LEU A 87 -3.103 -12.107 -2.550 1.00 0.00 C ATOM 1215 C LEU A 87 -4.453 -12.735 -2.217 1.00 0.00 C ATOM 1216 O LEU A 87 -5.434 -12.537 -2.933 1.00 0.00 O ATOM 1217 CB LEU A 87 -2.151 -13.176 -3.092 1.00 0.00 C ATOM 1218 CG LEU A 87 -1.059 -12.682 -4.042 1.00 0.00 C ATOM 1219 CD1 LEU A 87 -0.062 -13.793 -4.333 1.00 0.00 C ATOM 1220 CD2 LEU A 87 -1.671 -12.161 -5.334 1.00 0.00 C ATOM 0 H LEU A 87 -1.519 -11.603 -1.272 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.256 -11.344 -3.313 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -1.673 -13.671 -2.247 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.742 -13.931 -3.611 1.00 0.00 H new ATOM 0 HG LEU A 87 -0.528 -11.862 -3.559 1.00 0.00 H new ATOM 0 HD11 LEU A 87 0.708 -13.423 -5.011 1.00 0.00 H new ATOM 0 HD12 LEU A 87 0.401 -14.120 -3.402 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.579 -14.634 -4.796 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -0.879 -11.814 -5.998 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.228 -12.961 -5.821 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.345 -11.334 -5.110 1.00 0.00 H new ATOM 1232 N SER A 88 -4.494 -13.490 -1.124 1.00 0.00 N ATOM 1233 CA SER A 88 -5.723 -14.148 -0.696 1.00 0.00 C ATOM 1234 C SER A 88 -5.955 -13.948 0.798 1.00 0.00 C ATOM 1235 O SER A 88 -5.717 -14.849 1.601 1.00 0.00 O ATOM 1236 CB SER A 88 -5.666 -15.642 -1.019 1.00 0.00 C ATOM 1237 OG SER A 88 -5.302 -15.858 -2.372 1.00 0.00 O ATOM 0 H SER A 88 -3.691 -13.661 -0.519 1.00 0.00 H new ATOM 0 HA SER A 88 -6.554 -13.698 -1.238 1.00 0.00 H new ATOM 0 HB2 SER A 88 -4.946 -16.132 -0.363 1.00 0.00 H new ATOM 0 HB3 SER A 88 -6.637 -16.097 -0.823 1.00 0.00 H new ATOM 0 HG SER A 88 -5.271 -16.821 -2.553 1.00 0.00 H new ATOM 1243 N GLY A 89 -6.420 -12.757 1.165 1.00 0.00 N ATOM 1244 CA GLY A 89 -6.676 -12.459 2.562 1.00 0.00 C ATOM 1245 C GLY A 89 -7.983 -13.050 3.051 1.00 0.00 C ATOM 1246 O GLY A 89 -8.049 -14.207 3.467 1.00 0.00 O ATOM 0 H GLY A 89 -6.624 -11.994 0.520 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -5.857 -12.845 3.169 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -6.695 -11.378 2.702 1.00 0.00 H new ATOM 1250 N PRO A 90 -9.055 -12.244 3.006 1.00 0.00 N ATOM 1251 CA PRO A 90 -10.386 -12.673 3.446 1.00 0.00 C ATOM 1252 C PRO A 90 -11.001 -13.706 2.508 1.00 0.00 C ATOM 1253 O PRO A 90 -11.029 -13.517 1.292 1.00 0.00 O ATOM 1254 CB PRO A 90 -11.201 -11.377 3.422 1.00 0.00 C ATOM 1255 CG PRO A 90 -10.511 -10.513 2.424 1.00 0.00 C ATOM 1256 CD PRO A 90 -9.049 -10.854 2.522 1.00 0.00 C ATOM 0 HA PRO A 90 -10.357 -13.157 4.422 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -12.235 -11.565 3.134 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -11.224 -10.906 4.405 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -10.889 -10.700 1.419 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -10.681 -9.458 2.638 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -8.550 -10.767 1.557 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -8.527 -10.191 3.212 1.00 0.00 H new ATOM 1264 N SER A 91 -11.494 -14.799 3.082 1.00 0.00 N ATOM 1265 CA SER A 91 -12.106 -15.865 2.297 1.00 0.00 C ATOM 1266 C SER A 91 -13.005 -15.289 1.207 1.00 0.00 C ATOM 1267 O SER A 91 -12.822 -15.571 0.023 1.00 0.00 O ATOM 1268 CB SER A 91 -12.916 -16.794 3.203 1.00 0.00 C ATOM 1269 OG SER A 91 -13.752 -17.648 2.441 1.00 0.00 O ATOM 0 H SER A 91 -11.482 -14.970 4.088 1.00 0.00 H new ATOM 0 HA SER A 91 -11.309 -16.437 1.822 1.00 0.00 H new ATOM 0 HB2 SER A 91 -12.240 -17.392 3.814 1.00 0.00 H new ATOM 0 HB3 SER A 91 -13.523 -16.201 3.887 1.00 0.00 H new ATOM 0 HG SER A 91 -14.258 -18.233 3.043 1.00 0.00 H new ATOM 1275 N SER A 92 -13.977 -14.480 1.617 1.00 0.00 N ATOM 1276 CA SER A 92 -14.908 -13.866 0.677 1.00 0.00 C ATOM 1277 C SER A 92 -14.165 -13.006 -0.341 1.00 0.00 C ATOM 1278 O SER A 92 -13.849 -11.847 -0.078 1.00 0.00 O ATOM 1279 CB SER A 92 -15.936 -13.016 1.426 1.00 0.00 C ATOM 1280 OG SER A 92 -16.955 -12.561 0.553 1.00 0.00 O ATOM 0 H SER A 92 -14.140 -14.235 2.593 1.00 0.00 H new ATOM 0 HA SER A 92 -15.426 -14.663 0.144 1.00 0.00 H new ATOM 0 HB2 SER A 92 -16.378 -13.601 2.232 1.00 0.00 H new ATOM 0 HB3 SER A 92 -15.440 -12.162 1.887 1.00 0.00 H new ATOM 0 HG SER A 92 -17.600 -12.022 1.056 1.00 0.00 H new ATOM 1286 N GLY A 93 -13.888 -13.585 -1.505 1.00 0.00 N ATOM 1287 CA GLY A 93 -13.184 -12.858 -2.546 1.00 0.00 C ATOM 1288 C GLY A 93 -12.372 -13.771 -3.443 1.00 0.00 C ATOM 1289 O GLY A 93 -11.585 -14.567 -2.933 1.00 0.00 O ATOM 0 H GLY A 93 -14.138 -14.544 -1.746 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -13.904 -12.307 -3.150 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -12.523 -12.122 -2.088 1.00 0.00 H new TER 1293 GLY A 93 HETATM 1294 ZN ZN A 200 -6.374 0.916 -2.618 1.00 0.00 ZN HETATM 1295 ZN ZN A 400 6.298 3.800 -1.306 1.00 0.00 ZN