USER MOD reduce.3.24.130724 H: found=0, std=0, add=403, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 403 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 8 TYR OH : rot -146:sc= -0.566 USER MOD Set 1.2: A 11 TYR OH : rot 2:sc= -0.987 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -136:sc= -0.984 (180deg=-2.8!) USER MOD Single : A 6 LYS NZ :NH3+ 146:sc= -0.207 (180deg=-1.18!) USER MOD Single : A 10 ASN : amide:sc= -0.357 K(o=-0.36,f=-1.8!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0114) USER MOD Single : A 17 GLN : amide:sc= -1.24 X(o=-1.2,f=-1.6!) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 21 GLN : amide:sc= -3.39! C(o=-3.4!,f=-7.7!) USER MOD Single : A 23 ASN : amide:sc= -3.01! C(o=-3!,f=-9.7!) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 HIS : no HD1:sc= -1.96! K(o=-2!,f=-1) USER MOD Single : A 34 SER OG : rot -33:sc= 0.164 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -153:sc= -0.489 (180deg=-1.62) USER MOD Single : A 44 ASN : amide:sc= -0.515 K(o=-0.51,f=-3.2!) USER MOD Single : A 46 GLN : amide:sc= -1.11 K(o=-1.1,f=-4.3!) USER MOD Single : A 51 TYR OH : rot 180:sc= -3.04 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 2 89.258 -9.851 -50.935 1.00 0.00 N ATOM 2 CA ASP A 2 90.020 -10.389 -52.056 1.00 0.00 C ATOM 3 C ASP A 2 89.662 -11.853 -52.294 1.00 0.00 C ATOM 4 O ASP A 2 88.781 -12.402 -51.633 1.00 0.00 O ATOM 5 CB ASP A 2 91.519 -10.267 -51.776 1.00 0.00 C ATOM 6 CG ASP A 2 91.921 -8.797 -51.722 1.00 0.00 C ATOM 7 OD1 ASP A 2 91.134 -7.972 -52.153 1.00 0.00 O ATOM 8 OD2 ASP A 2 93.011 -8.518 -51.252 1.00 0.00 O ATOM 0 HA ASP A 2 89.770 -9.816 -52.949 1.00 0.00 H new ATOM 0 HB2 ASP A 2 91.762 -10.754 -50.832 1.00 0.00 H new ATOM 0 HB3 ASP A 2 92.086 -10.779 -52.554 1.00 0.00 H new ATOM 13 N LYS A 3 90.352 -12.479 -53.242 1.00 0.00 N ATOM 14 CA LYS A 3 90.100 -13.880 -53.558 1.00 0.00 C ATOM 15 C LYS A 3 90.310 -14.755 -52.327 1.00 0.00 C ATOM 16 O LYS A 3 89.589 -15.731 -52.116 1.00 0.00 O ATOM 17 CB LYS A 3 91.035 -14.338 -54.679 1.00 0.00 C ATOM 18 CG LYS A 3 90.929 -13.372 -55.860 1.00 0.00 C ATOM 19 CD LYS A 3 89.512 -13.421 -56.434 1.00 0.00 C ATOM 20 CE LYS A 3 89.516 -12.852 -57.855 1.00 0.00 C ATOM 21 NZ LYS A 3 88.114 -12.600 -58.291 1.00 0.00 N ATOM 0 H LYS A 3 91.085 -12.042 -53.801 1.00 0.00 H new ATOM 0 HA LYS A 3 89.065 -13.978 -53.885 1.00 0.00 H new ATOM 0 HB2 LYS A 3 92.063 -14.375 -54.317 1.00 0.00 H new ATOM 0 HB3 LYS A 3 90.772 -15.347 -54.996 1.00 0.00 H new ATOM 0 HG2 LYS A 3 91.167 -12.359 -55.537 1.00 0.00 H new ATOM 0 HG3 LYS A 3 91.654 -13.640 -56.629 1.00 0.00 H new ATOM 0 HD2 LYS A 3 89.147 -14.448 -56.443 1.00 0.00 H new ATOM 0 HD3 LYS A 3 88.833 -12.847 -55.803 1.00 0.00 H new ATOM 0 HE2 LYS A 3 90.090 -11.926 -57.886 1.00 0.00 H new ATOM 0 HE3 LYS A 3 90.001 -13.551 -58.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 88.115 -12.213 -59.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 87.580 -13.492 -58.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 87.667 -11.918 -57.645 1.00 0.00 H new ATOM 35 N CYS A 4 91.303 -14.402 -51.517 1.00 0.00 N ATOM 36 CA CYS A 4 91.598 -15.161 -50.308 1.00 0.00 C ATOM 37 C CYS A 4 90.438 -15.088 -49.328 1.00 0.00 C ATOM 38 O CYS A 4 90.238 -15.986 -48.510 1.00 0.00 O ATOM 39 CB CYS A 4 92.832 -14.581 -49.615 1.00 0.00 C ATOM 40 SG CYS A 4 94.231 -14.592 -50.763 1.00 0.00 S ATOM 0 H CYS A 4 91.913 -13.600 -51.675 1.00 0.00 H new ATOM 0 HA CYS A 4 91.771 -16.196 -50.601 1.00 0.00 H new ATOM 0 HB2 CYS A 4 92.630 -13.563 -49.281 1.00 0.00 H new ATOM 0 HB3 CYS A 4 93.072 -15.166 -48.727 1.00 0.00 H new ATOM 45 N LYS A 5 89.686 -13.995 -49.402 1.00 0.00 N ATOM 46 CA LYS A 5 88.559 -13.792 -48.499 1.00 0.00 C ATOM 47 C LYS A 5 87.342 -14.579 -48.976 1.00 0.00 C ATOM 48 O LYS A 5 86.808 -14.320 -50.053 1.00 0.00 O ATOM 49 CB LYS A 5 88.212 -12.305 -48.424 1.00 0.00 C ATOM 50 CG LYS A 5 89.498 -11.478 -48.449 1.00 0.00 C ATOM 51 CD LYS A 5 90.393 -11.889 -47.278 1.00 0.00 C ATOM 52 CE LYS A 5 91.566 -10.913 -47.163 1.00 0.00 C ATOM 53 NZ LYS A 5 91.095 -9.642 -46.542 1.00 0.00 N ATOM 0 H LYS A 5 89.835 -13.241 -50.073 1.00 0.00 H new ATOM 0 HA LYS A 5 88.842 -14.148 -47.508 1.00 0.00 H new ATOM 0 HB2 LYS A 5 87.572 -12.027 -49.262 1.00 0.00 H new ATOM 0 HB3 LYS A 5 87.651 -12.097 -47.513 1.00 0.00 H new ATOM 0 HG2 LYS A 5 90.023 -11.631 -49.392 1.00 0.00 H new ATOM 0 HG3 LYS A 5 89.261 -10.416 -48.384 1.00 0.00 H new ATOM 0 HD2 LYS A 5 89.818 -11.894 -46.352 1.00 0.00 H new ATOM 0 HD3 LYS A 5 90.764 -12.903 -47.428 1.00 0.00 H new ATOM 0 HE2 LYS A 5 92.361 -11.352 -46.560 1.00 0.00 H new ATOM 0 HE3 LYS A 5 91.986 -10.715 -48.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 91.492 -8.834 -47.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 90.056 -9.602 -46.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 91.408 -9.603 -45.551 1.00 0.00 H new ATOM 67 N LYS A 6 86.912 -15.541 -48.167 1.00 0.00 N ATOM 68 CA LYS A 6 85.750 -16.352 -48.510 1.00 0.00 C ATOM 69 C LYS A 6 84.693 -16.266 -47.413 1.00 0.00 C ATOM 70 O LYS A 6 85.015 -16.300 -46.225 1.00 0.00 O ATOM 71 CB LYS A 6 86.170 -17.810 -48.705 1.00 0.00 C ATOM 72 CG LYS A 6 87.132 -17.911 -49.890 1.00 0.00 C ATOM 73 CD LYS A 6 87.471 -19.381 -50.150 1.00 0.00 C ATOM 74 CE LYS A 6 86.425 -19.989 -51.086 1.00 0.00 C ATOM 75 NZ LYS A 6 86.477 -19.297 -52.405 1.00 0.00 N ATOM 0 H LYS A 6 87.347 -15.777 -47.275 1.00 0.00 H new ATOM 0 HA LYS A 6 85.325 -15.970 -49.438 1.00 0.00 H new ATOM 0 HB2 LYS A 6 86.650 -18.185 -47.801 1.00 0.00 H new ATOM 0 HB3 LYS A 6 85.292 -18.432 -48.882 1.00 0.00 H new ATOM 0 HG2 LYS A 6 86.680 -17.469 -50.778 1.00 0.00 H new ATOM 0 HG3 LYS A 6 88.042 -17.348 -49.682 1.00 0.00 H new ATOM 0 HD2 LYS A 6 88.463 -19.463 -50.594 1.00 0.00 H new ATOM 0 HD3 LYS A 6 87.496 -19.931 -49.209 1.00 0.00 H new ATOM 0 HE2 LYS A 6 86.612 -21.055 -51.215 1.00 0.00 H new ATOM 0 HE3 LYS A 6 85.431 -19.891 -50.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 86.259 -19.976 -53.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 85.779 -18.526 -52.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 87.429 -18.905 -52.554 1.00 0.00 H new ATOM 89 N VAL A 7 83.433 -16.155 -47.819 1.00 0.00 N ATOM 90 CA VAL A 7 82.340 -16.043 -46.860 1.00 0.00 C ATOM 91 C VAL A 7 81.465 -17.291 -46.892 1.00 0.00 C ATOM 92 O VAL A 7 81.011 -17.715 -47.955 1.00 0.00 O ATOM 93 CB VAL A 7 81.487 -14.813 -47.179 1.00 0.00 C ATOM 94 CG1 VAL A 7 80.854 -14.974 -48.562 1.00 0.00 C ATOM 95 CG2 VAL A 7 80.384 -14.672 -46.128 1.00 0.00 C ATOM 0 H VAL A 7 83.144 -16.140 -48.797 1.00 0.00 H new ATOM 0 HA VAL A 7 82.769 -15.940 -45.863 1.00 0.00 H new ATOM 0 HB VAL A 7 82.116 -13.923 -47.169 1.00 0.00 H new ATOM 0 HG11 VAL A 7 80.247 -14.098 -48.788 1.00 0.00 H new ATOM 0 HG12 VAL A 7 81.639 -15.075 -49.312 1.00 0.00 H new ATOM 0 HG13 VAL A 7 80.225 -15.864 -48.573 1.00 0.00 H new ATOM 0 HG21 VAL A 7 79.776 -13.796 -46.354 1.00 0.00 H new ATOM 0 HG22 VAL A 7 79.756 -15.563 -46.138 1.00 0.00 H new ATOM 0 HG23 VAL A 7 80.834 -14.557 -45.142 1.00 0.00 H new ATOM 105 N TYR A 8 81.231 -17.875 -45.722 1.00 0.00 N ATOM 106 CA TYR A 8 80.359 -19.040 -45.619 1.00 0.00 C ATOM 107 C TYR A 8 79.467 -18.933 -44.387 1.00 0.00 C ATOM 108 O TYR A 8 79.949 -18.960 -43.255 1.00 0.00 O ATOM 109 CB TYR A 8 81.198 -20.317 -45.537 1.00 0.00 C ATOM 110 CG TYR A 8 81.671 -20.520 -44.118 1.00 0.00 C ATOM 111 CD1 TYR A 8 82.881 -19.954 -43.695 1.00 0.00 C ATOM 112 CD2 TYR A 8 80.902 -21.274 -43.224 1.00 0.00 C ATOM 113 CE1 TYR A 8 83.321 -20.144 -42.379 1.00 0.00 C ATOM 114 CE2 TYR A 8 81.342 -21.463 -41.909 1.00 0.00 C ATOM 115 CZ TYR A 8 82.551 -20.898 -41.486 1.00 0.00 C ATOM 116 OH TYR A 8 82.985 -21.085 -40.189 1.00 0.00 O ATOM 0 H TYR A 8 81.630 -17.564 -44.836 1.00 0.00 H new ATOM 0 HA TYR A 8 79.729 -19.078 -46.508 1.00 0.00 H new ATOM 0 HB2 TYR A 8 80.607 -21.174 -45.861 1.00 0.00 H new ATOM 0 HB3 TYR A 8 82.053 -20.247 -46.210 1.00 0.00 H new ATOM 0 HD1 TYR A 8 83.474 -19.371 -44.384 1.00 0.00 H new ATOM 0 HD2 TYR A 8 79.969 -21.710 -43.549 1.00 0.00 H new ATOM 0 HE1 TYR A 8 84.254 -19.709 -42.053 1.00 0.00 H new ATOM 0 HE2 TYR A 8 80.748 -22.045 -41.220 1.00 0.00 H new ATOM 0 HH TYR A 8 82.713 -21.974 -39.878 1.00 0.00 H new ATOM 126 N GLU A 9 78.163 -18.807 -44.617 1.00 0.00 N ATOM 127 CA GLU A 9 77.219 -18.610 -43.523 1.00 0.00 C ATOM 128 C GLU A 9 77.120 -19.866 -42.663 1.00 0.00 C ATOM 129 O GLU A 9 77.805 -19.990 -41.647 1.00 0.00 O ATOM 130 CB GLU A 9 75.838 -18.263 -44.083 1.00 0.00 C ATOM 131 CG GLU A 9 75.950 -17.039 -44.994 1.00 0.00 C ATOM 132 CD GLU A 9 74.567 -16.625 -45.482 1.00 0.00 C ATOM 133 OE1 GLU A 9 73.626 -17.360 -45.232 1.00 0.00 O ATOM 134 OE2 GLU A 9 74.468 -15.577 -46.100 1.00 0.00 O ATOM 0 H GLU A 9 77.739 -18.838 -45.544 1.00 0.00 H new ATOM 0 HA GLU A 9 77.578 -17.789 -42.903 1.00 0.00 H new ATOM 0 HB2 GLU A 9 75.437 -19.109 -44.641 1.00 0.00 H new ATOM 0 HB3 GLU A 9 75.144 -18.061 -43.268 1.00 0.00 H new ATOM 0 HG2 GLU A 9 76.416 -16.215 -44.454 1.00 0.00 H new ATOM 0 HG3 GLU A 9 76.592 -17.266 -45.845 1.00 0.00 H new ATOM 141 N ASN A 10 76.262 -20.794 -43.074 1.00 0.00 N ATOM 142 CA ASN A 10 76.007 -21.991 -42.280 1.00 0.00 C ATOM 143 C ASN A 10 75.433 -21.612 -40.920 1.00 0.00 C ATOM 144 O ASN A 10 74.337 -22.038 -40.556 1.00 0.00 O ATOM 145 CB ASN A 10 77.305 -22.777 -42.087 1.00 0.00 C ATOM 146 CG ASN A 10 77.790 -23.320 -43.426 1.00 0.00 C ATOM 147 OD1 ASN A 10 77.063 -23.267 -44.419 1.00 0.00 O ATOM 148 ND2 ASN A 10 78.982 -23.843 -43.515 1.00 0.00 N ATOM 0 H ASN A 10 75.735 -20.742 -43.946 1.00 0.00 H new ATOM 0 HA ASN A 10 75.284 -22.612 -42.810 1.00 0.00 H new ATOM 0 HB2 ASN A 10 78.068 -22.133 -41.649 1.00 0.00 H new ATOM 0 HB3 ASN A 10 77.142 -23.599 -41.390 1.00 0.00 H new ATOM 0 HD21 ASN A 10 79.313 -24.209 -44.408 1.00 0.00 H new ATOM 0 HD22 ASN A 10 79.583 -23.886 -42.692 1.00 0.00 H new ATOM 155 N TYR A 11 76.181 -20.805 -40.175 1.00 0.00 N ATOM 156 CA TYR A 11 75.688 -20.269 -38.911 1.00 0.00 C ATOM 157 C TYR A 11 75.696 -18.744 -38.942 1.00 0.00 C ATOM 158 O TYR A 11 76.751 -18.116 -38.848 1.00 0.00 O ATOM 159 CB TYR A 11 76.561 -20.766 -37.757 1.00 0.00 C ATOM 160 CG TYR A 11 77.966 -20.242 -37.924 1.00 0.00 C ATOM 161 CD1 TYR A 11 78.320 -18.999 -37.385 1.00 0.00 C ATOM 162 CD2 TYR A 11 78.918 -20.999 -38.619 1.00 0.00 C ATOM 163 CE1 TYR A 11 79.623 -18.513 -37.539 1.00 0.00 C ATOM 164 CE2 TYR A 11 80.222 -20.513 -38.774 1.00 0.00 C ATOM 165 CZ TYR A 11 80.575 -19.271 -38.233 1.00 0.00 C ATOM 166 OH TYR A 11 81.860 -18.792 -38.385 1.00 0.00 O ATOM 0 H TYR A 11 77.125 -20.509 -40.422 1.00 0.00 H new ATOM 0 HA TYR A 11 74.665 -20.613 -38.763 1.00 0.00 H new ATOM 0 HB2 TYR A 11 76.148 -20.432 -36.805 1.00 0.00 H new ATOM 0 HB3 TYR A 11 76.568 -21.856 -37.736 1.00 0.00 H new ATOM 0 HD1 TYR A 11 77.586 -18.415 -36.850 1.00 0.00 H new ATOM 0 HD2 TYR A 11 78.646 -21.958 -39.035 1.00 0.00 H new ATOM 0 HE1 TYR A 11 79.895 -17.554 -37.123 1.00 0.00 H new ATOM 0 HE2 TYR A 11 80.955 -21.096 -39.311 1.00 0.00 H new ATOM 0 HH TYR A 11 81.945 -17.931 -37.925 1.00 0.00 H new ATOM 176 N PRO A 12 74.544 -18.149 -39.076 1.00 0.00 N ATOM 177 CA PRO A 12 74.401 -16.674 -39.190 1.00 0.00 C ATOM 178 C PRO A 12 75.191 -15.929 -38.116 1.00 0.00 C ATOM 179 O PRO A 12 75.891 -16.540 -37.309 1.00 0.00 O ATOM 180 CB PRO A 12 72.864 -16.417 -39.049 1.00 0.00 C ATOM 181 CG PRO A 12 72.248 -17.709 -39.486 1.00 0.00 C ATOM 182 CD PRO A 12 73.239 -18.825 -39.134 1.00 0.00 C ATOM 0 HA PRO A 12 74.801 -16.305 -40.134 1.00 0.00 H new ATOM 0 HB2 PRO A 12 72.592 -16.170 -38.023 1.00 0.00 H new ATOM 0 HB3 PRO A 12 72.538 -15.586 -39.674 1.00 0.00 H new ATOM 0 HG2 PRO A 12 71.294 -17.869 -38.984 1.00 0.00 H new ATOM 0 HG3 PRO A 12 72.047 -17.697 -40.557 1.00 0.00 H new ATOM 0 HD2 PRO A 12 72.990 -19.292 -38.181 1.00 0.00 H new ATOM 0 HD3 PRO A 12 73.233 -19.614 -39.886 1.00 0.00 H new ATOM 190 N VAL A 13 75.070 -14.604 -38.115 1.00 0.00 N ATOM 191 CA VAL A 13 75.803 -13.780 -37.161 1.00 0.00 C ATOM 192 C VAL A 13 75.640 -14.324 -35.746 1.00 0.00 C ATOM 193 O VAL A 13 76.326 -13.890 -34.821 1.00 0.00 O ATOM 194 CB VAL A 13 75.293 -12.339 -37.220 1.00 0.00 C ATOM 195 CG1 VAL A 13 73.783 -12.342 -37.461 1.00 0.00 C ATOM 196 CG2 VAL A 13 75.595 -11.638 -35.893 1.00 0.00 C ATOM 0 H VAL A 13 74.476 -14.082 -38.759 1.00 0.00 H new ATOM 0 HA VAL A 13 76.860 -13.803 -37.425 1.00 0.00 H new ATOM 0 HB VAL A 13 75.790 -11.810 -38.033 1.00 0.00 H new ATOM 0 HG11 VAL A 13 73.419 -11.315 -37.503 1.00 0.00 H new ATOM 0 HG12 VAL A 13 73.566 -12.843 -38.405 1.00 0.00 H new ATOM 0 HG13 VAL A 13 73.286 -12.870 -36.647 1.00 0.00 H new ATOM 0 HG21 VAL A 13 75.232 -10.611 -35.933 1.00 0.00 H new ATOM 0 HG22 VAL A 13 75.097 -12.167 -35.080 1.00 0.00 H new ATOM 0 HG23 VAL A 13 76.671 -11.636 -35.719 1.00 0.00 H new ATOM 206 N SER A 14 74.727 -15.277 -35.586 1.00 0.00 N ATOM 207 CA SER A 14 74.453 -15.845 -34.271 1.00 0.00 C ATOM 208 C SER A 14 75.750 -16.053 -33.497 1.00 0.00 C ATOM 209 O SER A 14 75.877 -15.621 -32.352 1.00 0.00 O ATOM 210 CB SER A 14 73.726 -17.182 -34.422 1.00 0.00 C ATOM 211 OG SER A 14 73.298 -17.630 -33.142 1.00 0.00 O ATOM 0 H SER A 14 74.169 -15.669 -36.344 1.00 0.00 H new ATOM 0 HA SER A 14 73.822 -15.149 -33.719 1.00 0.00 H new ATOM 0 HB2 SER A 14 72.869 -17.070 -35.086 1.00 0.00 H new ATOM 0 HB3 SER A 14 74.388 -17.920 -34.876 1.00 0.00 H new ATOM 0 HG SER A 14 72.830 -18.486 -33.235 1.00 0.00 H new ATOM 217 N LYS A 15 76.712 -16.717 -34.131 1.00 0.00 N ATOM 218 CA LYS A 15 77.991 -16.988 -33.487 1.00 0.00 C ATOM 219 C LYS A 15 78.919 -15.785 -33.617 1.00 0.00 C ATOM 220 O LYS A 15 79.665 -15.461 -32.692 1.00 0.00 O ATOM 221 CB LYS A 15 78.648 -18.213 -34.123 1.00 0.00 C ATOM 222 CG LYS A 15 77.687 -19.401 -34.061 1.00 0.00 C ATOM 223 CD LYS A 15 78.437 -20.686 -34.419 1.00 0.00 C ATOM 224 CE LYS A 15 77.469 -21.869 -34.385 1.00 0.00 C ATOM 225 NZ LYS A 15 77.224 -22.271 -32.971 1.00 0.00 N ATOM 0 H LYS A 15 76.631 -17.075 -35.083 1.00 0.00 H new ATOM 0 HA LYS A 15 77.811 -17.182 -32.430 1.00 0.00 H new ATOM 0 HB2 LYS A 15 78.912 -18.000 -35.159 1.00 0.00 H new ATOM 0 HB3 LYS A 15 79.574 -18.454 -33.601 1.00 0.00 H new ATOM 0 HG2 LYS A 15 77.259 -19.484 -33.062 1.00 0.00 H new ATOM 0 HG3 LYS A 15 76.858 -19.247 -34.751 1.00 0.00 H new ATOM 0 HD2 LYS A 15 78.882 -20.595 -35.410 1.00 0.00 H new ATOM 0 HD3 LYS A 15 79.254 -20.851 -33.716 1.00 0.00 H new ATOM 0 HE2 LYS A 15 76.529 -21.597 -34.865 1.00 0.00 H new ATOM 0 HE3 LYS A 15 77.883 -22.707 -34.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 76.648 -23.137 -32.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 78.133 -22.449 -32.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 76.720 -21.508 -32.476 1.00 0.00 H new ATOM 239 N CYS A 16 78.868 -15.128 -34.771 1.00 0.00 N ATOM 240 CA CYS A 16 79.744 -13.990 -35.032 1.00 0.00 C ATOM 241 C CYS A 16 79.658 -12.977 -33.895 1.00 0.00 C ATOM 242 O CYS A 16 80.387 -11.985 -33.880 1.00 0.00 O ATOM 243 CB CYS A 16 79.349 -13.319 -36.348 1.00 0.00 C ATOM 244 SG CYS A 16 80.402 -11.873 -36.626 1.00 0.00 S ATOM 0 H CYS A 16 78.235 -15.361 -35.536 1.00 0.00 H new ATOM 0 HA CYS A 16 80.769 -14.352 -35.103 1.00 0.00 H new ATOM 0 HB2 CYS A 16 79.454 -14.023 -37.174 1.00 0.00 H new ATOM 0 HB3 CYS A 16 78.302 -13.019 -36.316 1.00 0.00 H new ATOM 249 N GLN A 17 78.764 -13.233 -32.945 1.00 0.00 N ATOM 250 CA GLN A 17 78.603 -12.342 -31.802 1.00 0.00 C ATOM 251 C GLN A 17 79.929 -12.172 -31.067 1.00 0.00 C ATOM 252 O GLN A 17 80.137 -11.185 -30.360 1.00 0.00 O ATOM 253 CB GLN A 17 77.554 -12.907 -30.841 1.00 0.00 C ATOM 254 CG GLN A 17 76.191 -12.938 -31.536 1.00 0.00 C ATOM 255 CD GLN A 17 75.636 -11.523 -31.656 1.00 0.00 C ATOM 256 OE1 GLN A 17 75.908 -10.674 -30.807 1.00 0.00 O ATOM 257 NE2 GLN A 17 74.868 -11.217 -32.666 1.00 0.00 N ATOM 0 H GLN A 17 78.145 -14.043 -32.943 1.00 0.00 H new ATOM 0 HA GLN A 17 78.273 -11.369 -32.167 1.00 0.00 H new ATOM 0 HB2 GLN A 17 77.837 -13.912 -30.526 1.00 0.00 H new ATOM 0 HB3 GLN A 17 77.502 -12.294 -29.941 1.00 0.00 H new ATOM 0 HG2 GLN A 17 76.288 -13.385 -32.525 1.00 0.00 H new ATOM 0 HG3 GLN A 17 75.499 -13.562 -30.971 1.00 0.00 H new ATOM 0 HE21 GLN A 17 74.644 -11.922 -33.368 1.00 0.00 H new ATOM 0 HE22 GLN A 17 74.492 -10.273 -32.753 1.00 0.00 H new ATOM 266 N LEU A 18 80.823 -13.140 -31.241 1.00 0.00 N ATOM 267 CA LEU A 18 82.143 -13.067 -30.626 1.00 0.00 C ATOM 268 C LEU A 18 83.234 -13.207 -31.682 1.00 0.00 C ATOM 269 O LEU A 18 83.347 -14.244 -32.337 1.00 0.00 O ATOM 270 CB LEU A 18 82.297 -14.176 -29.583 1.00 0.00 C ATOM 271 CG LEU A 18 81.198 -14.043 -28.529 1.00 0.00 C ATOM 272 CD1 LEU A 18 80.892 -15.418 -27.932 1.00 0.00 C ATOM 273 CD2 LEU A 18 81.670 -13.101 -27.419 1.00 0.00 C ATOM 0 H LEU A 18 80.659 -13.978 -31.799 1.00 0.00 H new ATOM 0 HA LEU A 18 82.243 -12.096 -30.141 1.00 0.00 H new ATOM 0 HB2 LEU A 18 82.238 -15.152 -30.064 1.00 0.00 H new ATOM 0 HB3 LEU A 18 83.277 -14.112 -29.111 1.00 0.00 H new ATOM 0 HG LEU A 18 80.298 -13.640 -28.993 1.00 0.00 H new ATOM 0 HD11 LEU A 18 80.108 -15.322 -27.181 1.00 0.00 H new ATOM 0 HD12 LEU A 18 80.558 -16.091 -28.721 1.00 0.00 H new ATOM 0 HD13 LEU A 18 81.792 -15.822 -27.468 1.00 0.00 H new ATOM 0 HD21 LEU A 18 80.888 -13.005 -26.666 1.00 0.00 H new ATOM 0 HD22 LEU A 18 82.570 -13.506 -26.957 1.00 0.00 H new ATOM 0 HD23 LEU A 18 81.889 -12.121 -27.842 1.00 0.00 H new ATOM 285 N ALA A 19 84.034 -12.159 -31.843 1.00 0.00 N ATOM 286 CA ALA A 19 85.091 -12.167 -32.847 1.00 0.00 C ATOM 287 C ALA A 19 85.973 -13.400 -32.686 1.00 0.00 C ATOM 288 O ALA A 19 86.756 -13.736 -33.575 1.00 0.00 O ATOM 289 CB ALA A 19 85.946 -10.904 -32.718 1.00 0.00 C ATOM 0 H ALA A 19 83.972 -11.300 -31.296 1.00 0.00 H new ATOM 0 HA ALA A 19 84.628 -12.192 -33.834 1.00 0.00 H new ATOM 0 HB1 ALA A 19 86.733 -10.919 -33.472 1.00 0.00 H new ATOM 0 HB2 ALA A 19 85.320 -10.024 -32.864 1.00 0.00 H new ATOM 0 HB3 ALA A 19 86.395 -10.868 -31.725 1.00 0.00 H new ATOM 295 N ASN A 20 85.841 -14.070 -31.546 1.00 0.00 N ATOM 296 CA ASN A 20 86.641 -15.259 -31.272 1.00 0.00 C ATOM 297 C ASN A 20 85.959 -16.504 -31.827 1.00 0.00 C ATOM 298 O ASN A 20 86.584 -17.555 -31.969 1.00 0.00 O ATOM 299 CB ASN A 20 86.845 -15.414 -29.764 1.00 0.00 C ATOM 300 CG ASN A 20 87.379 -14.115 -29.171 1.00 0.00 C ATOM 301 OD1 ASN A 20 88.236 -13.466 -29.770 1.00 0.00 O ATOM 302 ND2 ASN A 20 86.920 -13.694 -28.025 1.00 0.00 N ATOM 0 H ASN A 20 85.193 -13.813 -30.802 1.00 0.00 H new ATOM 0 HA ASN A 20 87.609 -15.143 -31.759 1.00 0.00 H new ATOM 0 HB2 ASN A 20 85.902 -15.680 -29.287 1.00 0.00 H new ATOM 0 HB3 ASN A 20 87.543 -16.227 -29.565 1.00 0.00 H new ATOM 0 HD21 ASN A 20 87.271 -12.825 -27.623 1.00 0.00 H new ATOM 0 HD22 ASN A 20 86.210 -14.234 -27.531 1.00 0.00 H new ATOM 309 N GLN A 21 84.673 -16.380 -32.139 1.00 0.00 N ATOM 310 CA GLN A 21 83.907 -17.514 -32.645 1.00 0.00 C ATOM 311 C GLN A 21 84.207 -17.745 -34.123 1.00 0.00 C ATOM 312 O GLN A 21 84.511 -18.864 -34.538 1.00 0.00 O ATOM 313 CB GLN A 21 82.410 -17.260 -32.460 1.00 0.00 C ATOM 314 CG GLN A 21 81.729 -18.545 -31.983 1.00 0.00 C ATOM 315 CD GLN A 21 81.831 -19.618 -33.061 1.00 0.00 C ATOM 316 OE1 GLN A 21 81.804 -19.308 -34.252 1.00 0.00 O ATOM 317 NE2 GLN A 21 81.946 -20.871 -32.712 1.00 0.00 N ATOM 0 H GLN A 21 84.143 -15.513 -32.051 1.00 0.00 H new ATOM 0 HA GLN A 21 84.195 -18.402 -32.083 1.00 0.00 H new ATOM 0 HB2 GLN A 21 82.253 -16.462 -31.735 1.00 0.00 H new ATOM 0 HB3 GLN A 21 81.968 -16.929 -33.400 1.00 0.00 H new ATOM 0 HG2 GLN A 21 82.198 -18.895 -31.063 1.00 0.00 H new ATOM 0 HG3 GLN A 21 80.682 -18.348 -31.752 1.00 0.00 H new ATOM 0 HE21 GLN A 21 81.968 -21.125 -31.724 1.00 0.00 H new ATOM 0 HE22 GLN A 21 82.014 -21.595 -33.427 1.00 0.00 H new ATOM 326 N CYS A 22 84.119 -16.680 -34.913 1.00 0.00 N ATOM 327 CA CYS A 22 84.365 -16.782 -36.347 1.00 0.00 C ATOM 328 C CYS A 22 85.674 -17.518 -36.614 1.00 0.00 C ATOM 329 O CYS A 22 85.687 -18.570 -37.253 1.00 0.00 O ATOM 330 CB CYS A 22 84.427 -15.385 -36.968 1.00 0.00 C ATOM 331 SG CYS A 22 82.752 -14.713 -37.109 1.00 0.00 S ATOM 0 H CYS A 22 83.881 -15.743 -34.588 1.00 0.00 H new ATOM 0 HA CYS A 22 83.547 -17.343 -36.798 1.00 0.00 H new ATOM 0 HB2 CYS A 22 85.043 -14.729 -36.353 1.00 0.00 H new ATOM 0 HB3 CYS A 22 84.895 -15.433 -37.951 1.00 0.00 H new ATOM 336 N ASN A 23 86.774 -16.958 -36.120 1.00 0.00 N ATOM 337 CA ASN A 23 88.084 -17.569 -36.312 1.00 0.00 C ATOM 338 C ASN A 23 88.021 -19.068 -36.035 1.00 0.00 C ATOM 339 O ASN A 23 88.486 -19.877 -36.838 1.00 0.00 O ATOM 340 CB ASN A 23 89.106 -16.919 -35.379 1.00 0.00 C ATOM 341 CG ASN A 23 88.722 -15.466 -35.118 1.00 0.00 C ATOM 342 OD1 ASN A 23 87.959 -14.877 -35.883 1.00 0.00 O ATOM 343 ND2 ASN A 23 89.207 -14.850 -34.075 1.00 0.00 N ATOM 0 H ASN A 23 86.785 -16.088 -35.587 1.00 0.00 H new ATOM 0 HA ASN A 23 88.388 -17.414 -37.347 1.00 0.00 H new ATOM 0 HB2 ASN A 23 89.152 -17.467 -34.438 1.00 0.00 H new ATOM 0 HB3 ASN A 23 90.100 -16.967 -35.824 1.00 0.00 H new ATOM 0 HD21 ASN A 23 88.954 -13.879 -33.893 1.00 0.00 H new ATOM 0 HD22 ASN A 23 89.839 -15.340 -33.442 1.00 0.00 H new ATOM 350 N TYR A 24 87.446 -19.431 -34.893 1.00 0.00 N ATOM 351 CA TYR A 24 87.312 -20.836 -34.529 1.00 0.00 C ATOM 352 C TYR A 24 86.627 -21.618 -35.646 1.00 0.00 C ATOM 353 O TYR A 24 87.196 -22.561 -36.195 1.00 0.00 O ATOM 354 CB TYR A 24 86.499 -20.966 -33.239 1.00 0.00 C ATOM 355 CG TYR A 24 87.434 -20.964 -32.053 1.00 0.00 C ATOM 356 CD1 TYR A 24 88.290 -19.878 -31.838 1.00 0.00 C ATOM 357 CD2 TYR A 24 87.444 -22.049 -31.168 1.00 0.00 C ATOM 358 CE1 TYR A 24 89.157 -19.875 -30.739 1.00 0.00 C ATOM 359 CE2 TYR A 24 88.311 -22.047 -30.068 1.00 0.00 C ATOM 360 CZ TYR A 24 89.167 -20.960 -29.854 1.00 0.00 C ATOM 361 OH TYR A 24 90.022 -20.958 -28.770 1.00 0.00 O ATOM 0 H TYR A 24 87.068 -18.776 -34.208 1.00 0.00 H new ATOM 0 HA TYR A 24 88.309 -21.247 -34.373 1.00 0.00 H new ATOM 0 HB2 TYR A 24 85.790 -20.142 -33.158 1.00 0.00 H new ATOM 0 HB3 TYR A 24 85.916 -21.887 -33.255 1.00 0.00 H new ATOM 0 HD1 TYR A 24 88.282 -19.041 -32.521 1.00 0.00 H new ATOM 0 HD2 TYR A 24 86.783 -22.887 -31.334 1.00 0.00 H new ATOM 0 HE1 TYR A 24 89.818 -19.037 -30.574 1.00 0.00 H new ATOM 0 HE2 TYR A 24 88.319 -22.884 -29.385 1.00 0.00 H new ATOM 0 HH TYR A 24 89.902 -21.784 -28.257 1.00 0.00 H new ATOM 371 N ASP A 25 85.403 -21.219 -35.977 1.00 0.00 N ATOM 372 CA ASP A 25 84.653 -21.885 -37.035 1.00 0.00 C ATOM 373 C ASP A 25 85.367 -21.734 -38.375 1.00 0.00 C ATOM 374 O ASP A 25 85.488 -22.694 -39.137 1.00 0.00 O ATOM 375 CB ASP A 25 83.248 -21.290 -37.134 1.00 0.00 C ATOM 376 CG ASP A 25 82.460 -21.599 -35.867 1.00 0.00 C ATOM 377 OD1 ASP A 25 82.965 -22.347 -35.046 1.00 0.00 O ATOM 378 OD2 ASP A 25 81.362 -21.083 -35.734 1.00 0.00 O ATOM 0 H ASP A 25 84.913 -20.444 -35.531 1.00 0.00 H new ATOM 0 HA ASP A 25 84.582 -22.945 -36.791 1.00 0.00 H new ATOM 0 HB2 ASP A 25 83.310 -20.212 -37.279 1.00 0.00 H new ATOM 0 HB3 ASP A 25 82.731 -21.699 -38.002 1.00 0.00 H new ATOM 383 N CYS A 26 85.837 -20.523 -38.657 1.00 0.00 N ATOM 384 CA CYS A 26 86.531 -20.256 -39.911 1.00 0.00 C ATOM 385 C CYS A 26 87.796 -21.102 -40.016 1.00 0.00 C ATOM 386 O CYS A 26 88.181 -21.531 -41.104 1.00 0.00 O ATOM 387 CB CYS A 26 86.897 -18.774 -40.001 1.00 0.00 C ATOM 388 SG CYS A 26 86.216 -18.075 -41.526 1.00 0.00 S ATOM 0 H CYS A 26 85.751 -19.716 -38.039 1.00 0.00 H new ATOM 0 HA CYS A 26 85.865 -20.516 -40.734 1.00 0.00 H new ATOM 0 HB2 CYS A 26 86.505 -18.239 -39.136 1.00 0.00 H new ATOM 0 HB3 CYS A 26 87.980 -18.654 -39.986 1.00 0.00 H new ATOM 393 N LYS A 27 88.439 -21.339 -38.877 1.00 0.00 N ATOM 394 CA LYS A 27 89.663 -22.132 -38.854 1.00 0.00 C ATOM 395 C LYS A 27 89.336 -23.622 -38.884 1.00 0.00 C ATOM 396 O LYS A 27 90.053 -24.412 -39.497 1.00 0.00 O ATOM 397 CB LYS A 27 90.471 -21.811 -37.595 1.00 0.00 C ATOM 398 CG LYS A 27 91.050 -20.399 -37.708 1.00 0.00 C ATOM 399 CD LYS A 27 91.339 -19.852 -36.309 1.00 0.00 C ATOM 400 CE LYS A 27 92.465 -20.662 -35.665 1.00 0.00 C ATOM 401 NZ LYS A 27 92.886 -20.006 -34.395 1.00 0.00 N ATOM 0 H LYS A 27 88.136 -20.997 -37.965 1.00 0.00 H new ATOM 0 HA LYS A 27 90.252 -21.882 -39.737 1.00 0.00 H new ATOM 0 HB2 LYS A 27 89.835 -21.886 -36.713 1.00 0.00 H new ATOM 0 HB3 LYS A 27 91.275 -22.537 -37.471 1.00 0.00 H new ATOM 0 HG2 LYS A 27 91.965 -20.416 -38.299 1.00 0.00 H new ATOM 0 HG3 LYS A 27 90.347 -19.747 -38.227 1.00 0.00 H new ATOM 0 HD2 LYS A 27 91.622 -18.801 -36.370 1.00 0.00 H new ATOM 0 HD3 LYS A 27 90.441 -19.905 -35.694 1.00 0.00 H new ATOM 0 HE2 LYS A 27 92.128 -21.679 -35.467 1.00 0.00 H new ATOM 0 HE3 LYS A 27 93.312 -20.734 -36.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 93.652 -20.557 -33.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 93.224 -19.043 -34.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 92.077 -19.959 -33.743 1.00 0.00 H new ATOM 415 N LEU A 28 88.248 -23.997 -38.219 1.00 0.00 N ATOM 416 CA LEU A 28 87.848 -25.398 -38.158 1.00 0.00 C ATOM 417 C LEU A 28 87.036 -25.776 -39.393 1.00 0.00 C ATOM 418 O LEU A 28 86.983 -26.945 -39.778 1.00 0.00 O ATOM 419 CB LEU A 28 87.014 -25.648 -36.900 1.00 0.00 C ATOM 420 CG LEU A 28 87.840 -25.291 -35.663 1.00 0.00 C ATOM 421 CD1 LEU A 28 86.904 -24.999 -34.489 1.00 0.00 C ATOM 422 CD2 LEU A 28 88.753 -26.466 -35.305 1.00 0.00 C ATOM 0 H LEU A 28 87.632 -23.356 -37.719 1.00 0.00 H new ATOM 0 HA LEU A 28 88.747 -26.013 -38.125 1.00 0.00 H new ATOM 0 HB2 LEU A 28 86.104 -25.049 -36.929 1.00 0.00 H new ATOM 0 HB3 LEU A 28 86.706 -26.693 -36.856 1.00 0.00 H new ATOM 0 HG LEU A 28 88.445 -24.409 -35.873 1.00 0.00 H new ATOM 0 HD11 LEU A 28 87.494 -24.745 -33.608 1.00 0.00 H new ATOM 0 HD12 LEU A 28 86.252 -24.163 -34.743 1.00 0.00 H new ATOM 0 HD13 LEU A 28 86.299 -25.881 -34.278 1.00 0.00 H new ATOM 0 HD21 LEU A 28 89.342 -26.213 -34.424 1.00 0.00 H new ATOM 0 HD22 LEU A 28 88.147 -27.347 -35.096 1.00 0.00 H new ATOM 0 HD23 LEU A 28 89.421 -26.675 -36.140 1.00 0.00 H new ATOM 434 N ASP A 29 86.407 -24.782 -40.009 1.00 0.00 N ATOM 435 CA ASP A 29 85.544 -25.030 -41.158 1.00 0.00 C ATOM 436 C ASP A 29 86.347 -24.964 -42.454 1.00 0.00 C ATOM 437 O ASP A 29 86.440 -25.948 -43.189 1.00 0.00 O ATOM 438 CB ASP A 29 84.418 -23.996 -41.201 1.00 0.00 C ATOM 439 CG ASP A 29 83.522 -24.149 -39.976 1.00 0.00 C ATOM 440 OD1 ASP A 29 83.774 -25.048 -39.191 1.00 0.00 O ATOM 441 OD2 ASP A 29 82.598 -23.365 -39.841 1.00 0.00 O ATOM 0 H ASP A 29 86.477 -23.802 -39.734 1.00 0.00 H new ATOM 0 HA ASP A 29 85.116 -26.027 -41.058 1.00 0.00 H new ATOM 0 HB2 ASP A 29 84.838 -22.990 -41.232 1.00 0.00 H new ATOM 0 HB3 ASP A 29 83.830 -24.124 -42.110 1.00 0.00 H new ATOM 446 N LYS A 30 86.925 -23.800 -42.727 1.00 0.00 N ATOM 447 CA LYS A 30 87.649 -23.591 -43.975 1.00 0.00 C ATOM 448 C LYS A 30 89.138 -23.402 -43.705 1.00 0.00 C ATOM 449 O LYS A 30 89.935 -23.260 -44.633 1.00 0.00 O ATOM 450 CB LYS A 30 87.098 -22.360 -44.699 1.00 0.00 C ATOM 451 CG LYS A 30 85.573 -22.334 -44.575 1.00 0.00 C ATOM 452 CD LYS A 30 84.981 -23.555 -45.282 1.00 0.00 C ATOM 453 CE LYS A 30 83.463 -23.400 -45.386 1.00 0.00 C ATOM 454 NZ LYS A 30 82.895 -24.559 -46.131 1.00 0.00 N ATOM 0 H LYS A 30 86.907 -22.991 -42.106 1.00 0.00 H new ATOM 0 HA LYS A 30 87.515 -24.471 -44.603 1.00 0.00 H new ATOM 0 HB2 LYS A 30 87.524 -21.452 -44.271 1.00 0.00 H new ATOM 0 HB3 LYS A 30 87.388 -22.383 -45.750 1.00 0.00 H new ATOM 0 HG2 LYS A 30 85.283 -22.333 -43.524 1.00 0.00 H new ATOM 0 HG3 LYS A 30 85.178 -21.419 -45.015 1.00 0.00 H new ATOM 0 HD2 LYS A 30 85.415 -23.658 -46.276 1.00 0.00 H new ATOM 0 HD3 LYS A 30 85.227 -24.462 -44.731 1.00 0.00 H new ATOM 0 HE2 LYS A 30 83.023 -23.343 -44.390 1.00 0.00 H new ATOM 0 HE3 LYS A 30 83.216 -22.469 -45.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 81.863 -24.454 -46.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 83.306 -24.593 -47.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 83.119 -25.440 -45.626 1.00 0.00 H new ATOM 468 N HIS A 31 89.507 -23.402 -42.428 1.00 0.00 N ATOM 469 CA HIS A 31 90.905 -23.239 -42.046 1.00 0.00 C ATOM 470 C HIS A 31 91.402 -21.843 -42.406 1.00 0.00 C ATOM 471 O HIS A 31 92.311 -21.688 -43.221 1.00 0.00 O ATOM 472 CB HIS A 31 91.766 -24.286 -42.753 1.00 0.00 C ATOM 473 CG HIS A 31 91.052 -25.611 -42.749 1.00 0.00 C ATOM 474 ND1 HIS A 31 91.195 -26.524 -41.717 1.00 0.00 N ATOM 475 CD2 HIS A 31 90.187 -26.189 -43.644 1.00 0.00 C ATOM 476 CE1 HIS A 31 90.434 -27.593 -42.012 1.00 0.00 C ATOM 477 NE2 HIS A 31 89.797 -27.441 -43.177 1.00 0.00 N ATOM 0 H HIS A 31 88.862 -23.512 -41.645 1.00 0.00 H new ATOM 0 HA HIS A 31 90.983 -23.373 -40.967 1.00 0.00 H new ATOM 0 HB2 HIS A 31 91.969 -23.974 -43.777 1.00 0.00 H new ATOM 0 HB3 HIS A 31 92.729 -24.379 -42.251 1.00 0.00 H new ATOM 0 HD2 HIS A 31 89.859 -25.741 -44.570 1.00 0.00 H new ATOM 0 HE1 HIS A 31 90.348 -28.467 -41.384 1.00 0.00 H new ATOM 0 HE2 HIS A 31 89.162 -28.100 -43.627 1.00 0.00 H new ATOM 485 N ALA A 32 90.801 -20.828 -41.792 1.00 0.00 N ATOM 486 CA ALA A 32 91.195 -19.450 -42.054 1.00 0.00 C ATOM 487 C ALA A 32 92.301 -19.018 -41.097 1.00 0.00 C ATOM 488 O ALA A 32 92.944 -19.851 -40.459 1.00 0.00 O ATOM 489 CB ALA A 32 89.989 -18.522 -41.895 1.00 0.00 C ATOM 0 H ALA A 32 90.045 -20.933 -41.115 1.00 0.00 H new ATOM 0 HA ALA A 32 91.569 -19.387 -43.076 1.00 0.00 H new ATOM 0 HB1 ALA A 32 90.292 -17.494 -42.093 1.00 0.00 H new ATOM 0 HB2 ALA A 32 89.211 -18.813 -42.601 1.00 0.00 H new ATOM 0 HB3 ALA A 32 89.603 -18.597 -40.878 1.00 0.00 H new ATOM 495 N ARG A 33 92.517 -17.710 -41.002 1.00 0.00 N ATOM 496 CA ARG A 33 93.552 -17.178 -40.123 1.00 0.00 C ATOM 497 C ARG A 33 92.932 -16.341 -39.010 1.00 0.00 C ATOM 498 O ARG A 33 93.232 -16.538 -37.832 1.00 0.00 O ATOM 499 CB ARG A 33 94.529 -16.318 -40.929 1.00 0.00 C ATOM 500 CG ARG A 33 95.194 -17.175 -42.008 1.00 0.00 C ATOM 501 CD ARG A 33 96.227 -16.335 -42.760 1.00 0.00 C ATOM 502 NE ARG A 33 96.693 -17.050 -43.943 1.00 0.00 N ATOM 503 CZ ARG A 33 97.534 -18.073 -43.841 1.00 0.00 C ATOM 504 NH1 ARG A 33 97.961 -18.453 -42.667 1.00 0.00 N ATOM 505 NH2 ARG A 33 97.935 -18.697 -44.914 1.00 0.00 N ATOM 0 H ARG A 33 91.993 -17.003 -41.519 1.00 0.00 H new ATOM 0 HA ARG A 33 94.088 -18.015 -39.675 1.00 0.00 H new ATOM 0 HB2 ARG A 33 94.001 -15.482 -41.388 1.00 0.00 H new ATOM 0 HB3 ARG A 33 95.286 -15.893 -40.269 1.00 0.00 H new ATOM 0 HG2 ARG A 33 95.675 -18.042 -41.554 1.00 0.00 H new ATOM 0 HG3 ARG A 33 94.443 -17.554 -42.701 1.00 0.00 H new ATOM 0 HD2 ARG A 33 95.788 -15.381 -43.052 1.00 0.00 H new ATOM 0 HD3 ARG A 33 97.070 -16.111 -42.106 1.00 0.00 H new ATOM 0 HE ARG A 33 96.367 -16.759 -44.865 1.00 0.00 H new ATOM 0 HH11 ARG A 33 97.649 -17.964 -41.828 1.00 0.00 H new ATOM 0 HH12 ARG A 33 98.607 -19.239 -42.589 1.00 0.00 H new ATOM 0 HH21 ARG A 33 97.603 -18.399 -45.831 1.00 0.00 H new ATOM 0 HH22 ARG A 33 98.581 -19.483 -44.836 1.00 0.00 H new ATOM 519 N SER A 34 92.068 -15.406 -39.391 1.00 0.00 N ATOM 520 CA SER A 34 91.448 -14.512 -38.419 1.00 0.00 C ATOM 521 C SER A 34 89.928 -14.598 -38.503 1.00 0.00 C ATOM 522 O SER A 34 89.218 -14.041 -37.666 1.00 0.00 O ATOM 523 CB SER A 34 91.895 -13.072 -38.675 1.00 0.00 C ATOM 524 OG SER A 34 91.532 -12.264 -37.565 1.00 0.00 O ATOM 0 H SER A 34 91.783 -15.248 -40.357 1.00 0.00 H new ATOM 0 HA SER A 34 91.762 -14.818 -37.421 1.00 0.00 H new ATOM 0 HB2 SER A 34 92.973 -13.036 -38.829 1.00 0.00 H new ATOM 0 HB3 SER A 34 91.430 -12.691 -39.584 1.00 0.00 H new ATOM 0 HG SER A 34 90.695 -12.597 -37.178 1.00 0.00 H new ATOM 530 N GLY A 35 89.434 -15.300 -39.518 1.00 0.00 N ATOM 531 CA GLY A 35 87.996 -15.444 -39.705 1.00 0.00 C ATOM 532 C GLY A 35 87.265 -14.168 -39.307 1.00 0.00 C ATOM 533 O GLY A 35 86.524 -14.146 -38.322 1.00 0.00 O ATOM 0 H GLY A 35 90.004 -15.774 -40.218 1.00 0.00 H new ATOM 0 HA2 GLY A 35 87.783 -15.680 -40.748 1.00 0.00 H new ATOM 0 HA3 GLY A 35 87.629 -16.279 -39.108 1.00 0.00 H new ATOM 537 N GLU A 36 87.478 -13.106 -40.075 1.00 0.00 N ATOM 538 CA GLU A 36 86.868 -11.817 -39.767 1.00 0.00 C ATOM 539 C GLU A 36 85.444 -11.754 -40.310 1.00 0.00 C ATOM 540 O GLU A 36 85.148 -12.307 -41.369 1.00 0.00 O ATOM 541 CB GLU A 36 87.698 -10.685 -40.375 1.00 0.00 C ATOM 542 CG GLU A 36 88.846 -10.327 -39.429 1.00 0.00 C ATOM 543 CD GLU A 36 88.300 -9.632 -38.186 1.00 0.00 C ATOM 544 OE1 GLU A 36 87.150 -9.223 -38.217 1.00 0.00 O ATOM 545 OE2 GLU A 36 89.038 -9.518 -37.222 1.00 0.00 O ATOM 0 H GLU A 36 88.064 -13.110 -40.910 1.00 0.00 H new ATOM 0 HA GLU A 36 86.838 -11.702 -38.683 1.00 0.00 H new ATOM 0 HB2 GLU A 36 88.093 -10.990 -41.344 1.00 0.00 H new ATOM 0 HB3 GLU A 36 87.069 -9.811 -40.548 1.00 0.00 H new ATOM 0 HG2 GLU A 36 89.387 -11.229 -39.143 1.00 0.00 H new ATOM 0 HG3 GLU A 36 89.557 -9.676 -39.937 1.00 0.00 H new ATOM 552 N CYS A 37 84.567 -11.076 -39.578 1.00 0.00 N ATOM 553 CA CYS A 37 83.178 -10.939 -39.999 1.00 0.00 C ATOM 554 C CYS A 37 82.998 -9.694 -40.861 1.00 0.00 C ATOM 555 O CYS A 37 83.772 -8.741 -40.760 1.00 0.00 O ATOM 556 CB CYS A 37 82.202 -10.778 -38.795 1.00 0.00 C ATOM 557 SG CYS A 37 81.479 -12.351 -38.266 1.00 0.00 S ATOM 0 H CYS A 37 84.791 -10.615 -38.696 1.00 0.00 H new ATOM 0 HA CYS A 37 82.948 -11.852 -40.548 1.00 0.00 H new ATOM 0 HB2 CYS A 37 82.736 -10.328 -37.958 1.00 0.00 H new ATOM 0 HB3 CYS A 37 81.403 -10.090 -39.070 1.00 0.00 H new ATOM 562 N PHE A 38 81.972 -9.708 -41.706 1.00 0.00 N ATOM 563 CA PHE A 38 81.678 -8.559 -42.554 1.00 0.00 C ATOM 564 C PHE A 38 80.176 -8.435 -42.786 1.00 0.00 C ATOM 565 O PHE A 38 79.413 -9.351 -42.477 1.00 0.00 O ATOM 566 CB PHE A 38 82.393 -8.706 -43.899 1.00 0.00 C ATOM 567 CG PHE A 38 83.886 -8.629 -43.687 1.00 0.00 C ATOM 568 CD1 PHE A 38 84.596 -9.772 -43.301 1.00 0.00 C ATOM 569 CD2 PHE A 38 84.560 -7.417 -43.877 1.00 0.00 C ATOM 570 CE1 PHE A 38 85.980 -9.703 -43.104 1.00 0.00 C ATOM 571 CE2 PHE A 38 85.943 -7.348 -43.681 1.00 0.00 C ATOM 572 CZ PHE A 38 86.655 -8.490 -43.294 1.00 0.00 C ATOM 0 H PHE A 38 81.335 -10.496 -41.821 1.00 0.00 H new ATOM 0 HA PHE A 38 82.032 -7.660 -42.050 1.00 0.00 H new ATOM 0 HB2 PHE A 38 82.129 -9.657 -44.361 1.00 0.00 H new ATOM 0 HB3 PHE A 38 82.071 -7.920 -44.582 1.00 0.00 H new ATOM 0 HD1 PHE A 38 84.076 -10.707 -43.155 1.00 0.00 H new ATOM 0 HD2 PHE A 38 84.012 -6.535 -44.175 1.00 0.00 H new ATOM 0 HE1 PHE A 38 86.528 -10.585 -42.806 1.00 0.00 H new ATOM 0 HE2 PHE A 38 86.463 -6.413 -43.828 1.00 0.00 H new ATOM 0 HZ PHE A 38 87.723 -8.436 -43.142 1.00 0.00 H new ATOM 582 N TYR A 39 79.758 -7.298 -43.331 1.00 0.00 N ATOM 583 CA TYR A 39 78.341 -7.064 -43.595 1.00 0.00 C ATOM 584 C TYR A 39 78.001 -7.422 -45.038 1.00 0.00 C ATOM 585 O TYR A 39 78.623 -6.923 -45.976 1.00 0.00 O ATOM 586 CB TYR A 39 77.997 -5.596 -43.336 1.00 0.00 C ATOM 587 CG TYR A 39 77.982 -5.338 -41.849 1.00 0.00 C ATOM 588 CD1 TYR A 39 76.799 -5.512 -41.119 1.00 0.00 C ATOM 589 CD2 TYR A 39 79.151 -4.926 -41.198 1.00 0.00 C ATOM 590 CE1 TYR A 39 76.786 -5.274 -39.740 1.00 0.00 C ATOM 591 CE2 TYR A 39 79.137 -4.686 -39.818 1.00 0.00 C ATOM 592 CZ TYR A 39 77.954 -4.861 -39.089 1.00 0.00 C ATOM 593 OH TYR A 39 77.940 -4.626 -37.729 1.00 0.00 O ATOM 0 H TYR A 39 80.373 -6.529 -43.597 1.00 0.00 H new ATOM 0 HA TYR A 39 77.756 -7.696 -42.927 1.00 0.00 H new ATOM 0 HB2 TYR A 39 78.728 -4.949 -43.821 1.00 0.00 H new ATOM 0 HB3 TYR A 39 77.025 -5.358 -43.767 1.00 0.00 H new ATOM 0 HD1 TYR A 39 75.897 -5.830 -41.621 1.00 0.00 H new ATOM 0 HD2 TYR A 39 80.064 -4.793 -41.760 1.00 0.00 H new ATOM 0 HE1 TYR A 39 75.874 -5.409 -39.178 1.00 0.00 H new ATOM 0 HE2 TYR A 39 80.038 -4.366 -39.316 1.00 0.00 H new ATOM 0 HH TYR A 39 78.833 -4.347 -37.436 1.00 0.00 H new ATOM 603 N ASP A 40 77.010 -8.292 -45.208 1.00 0.00 N ATOM 604 CA ASP A 40 76.591 -8.707 -46.542 1.00 0.00 C ATOM 605 C ASP A 40 75.291 -8.013 -46.936 1.00 0.00 C ATOM 606 O ASP A 40 74.934 -6.976 -46.376 1.00 0.00 O ATOM 607 CB ASP A 40 76.393 -10.223 -46.578 1.00 0.00 C ATOM 608 CG ASP A 40 77.738 -10.928 -46.427 1.00 0.00 C ATOM 609 OD1 ASP A 40 78.738 -10.237 -46.321 1.00 0.00 O ATOM 610 OD2 ASP A 40 77.746 -12.147 -46.418 1.00 0.00 O ATOM 0 H ASP A 40 76.486 -8.720 -44.445 1.00 0.00 H new ATOM 0 HA ASP A 40 77.369 -8.425 -47.251 1.00 0.00 H new ATOM 0 HB2 ASP A 40 75.720 -10.529 -45.777 1.00 0.00 H new ATOM 0 HB3 ASP A 40 75.924 -10.515 -47.517 1.00 0.00 H new ATOM 615 N GLU A 41 74.587 -8.592 -47.903 1.00 0.00 N ATOM 616 CA GLU A 41 73.330 -8.017 -48.370 1.00 0.00 C ATOM 617 C GLU A 41 72.288 -8.032 -47.255 1.00 0.00 C ATOM 618 O GLU A 41 71.327 -7.262 -47.281 1.00 0.00 O ATOM 619 CB GLU A 41 72.808 -8.809 -49.570 1.00 0.00 C ATOM 620 CG GLU A 41 73.785 -8.667 -50.738 1.00 0.00 C ATOM 621 CD GLU A 41 73.245 -9.404 -51.960 1.00 0.00 C ATOM 622 OE1 GLU A 41 72.305 -10.164 -51.803 1.00 0.00 O ATOM 623 OE2 GLU A 41 73.783 -9.197 -53.037 1.00 0.00 O ATOM 0 H GLU A 41 74.862 -9.453 -48.376 1.00 0.00 H new ATOM 0 HA GLU A 41 73.512 -6.984 -48.668 1.00 0.00 H new ATOM 0 HB2 GLU A 41 72.693 -9.860 -49.304 1.00 0.00 H new ATOM 0 HB3 GLU A 41 71.823 -8.444 -49.860 1.00 0.00 H new ATOM 0 HG2 GLU A 41 73.932 -7.613 -50.974 1.00 0.00 H new ATOM 0 HG3 GLU A 41 74.759 -9.071 -50.460 1.00 0.00 H new ATOM 630 N LYS A 42 72.485 -8.911 -46.279 1.00 0.00 N ATOM 631 CA LYS A 42 71.552 -9.021 -45.163 1.00 0.00 C ATOM 632 C LYS A 42 72.080 -8.263 -43.948 1.00 0.00 C ATOM 633 O LYS A 42 71.665 -8.519 -42.818 1.00 0.00 O ATOM 634 CB LYS A 42 71.343 -10.492 -44.798 1.00 0.00 C ATOM 635 CG LYS A 42 70.841 -11.256 -46.026 1.00 0.00 C ATOM 636 CD LYS A 42 70.342 -12.637 -45.597 1.00 0.00 C ATOM 637 CE LYS A 42 71.480 -13.404 -44.922 1.00 0.00 C ATOM 638 NZ LYS A 42 72.749 -13.172 -45.670 1.00 0.00 N ATOM 0 H LYS A 42 73.276 -9.554 -46.237 1.00 0.00 H new ATOM 0 HA LYS A 42 70.600 -8.584 -45.465 1.00 0.00 H new ATOM 0 HB2 LYS A 42 72.278 -10.926 -44.443 1.00 0.00 H new ATOM 0 HB3 LYS A 42 70.623 -10.577 -43.984 1.00 0.00 H new ATOM 0 HG2 LYS A 42 70.037 -10.701 -46.510 1.00 0.00 H new ATOM 0 HG3 LYS A 42 71.643 -11.358 -46.757 1.00 0.00 H new ATOM 0 HD2 LYS A 42 69.501 -12.535 -44.911 1.00 0.00 H new ATOM 0 HD3 LYS A 42 69.980 -13.190 -46.464 1.00 0.00 H new ATOM 0 HE2 LYS A 42 71.590 -13.077 -43.888 1.00 0.00 H new ATOM 0 HE3 LYS A 42 71.250 -14.469 -44.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 73.384 -13.984 -45.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 72.540 -13.059 -46.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 73.209 -12.310 -45.314 1.00 0.00 H new ATOM 652 N ARG A 43 72.997 -7.332 -44.190 1.00 0.00 N ATOM 653 CA ARG A 43 73.585 -6.555 -43.106 1.00 0.00 C ATOM 654 C ARG A 43 73.907 -7.454 -41.916 1.00 0.00 C ATOM 655 O ARG A 43 74.000 -6.988 -40.781 1.00 0.00 O ATOM 656 CB ARG A 43 72.618 -5.453 -42.668 1.00 0.00 C ATOM 657 CG ARG A 43 72.671 -4.298 -43.671 1.00 0.00 C ATOM 658 CD ARG A 43 71.538 -3.315 -43.378 1.00 0.00 C ATOM 659 NE ARG A 43 70.250 -3.998 -43.429 1.00 0.00 N ATOM 660 CZ ARG A 43 69.117 -3.318 -43.566 1.00 0.00 C ATOM 661 NH1 ARG A 43 69.144 -2.017 -43.657 1.00 0.00 N ATOM 662 NH2 ARG A 43 67.977 -3.952 -43.610 1.00 0.00 N ATOM 0 H ARG A 43 73.347 -7.099 -45.119 1.00 0.00 H new ATOM 0 HA ARG A 43 74.509 -6.104 -43.468 1.00 0.00 H new ATOM 0 HB2 ARG A 43 71.604 -5.848 -42.606 1.00 0.00 H new ATOM 0 HB3 ARG A 43 72.883 -5.097 -41.673 1.00 0.00 H new ATOM 0 HG2 ARG A 43 73.633 -3.790 -43.606 1.00 0.00 H new ATOM 0 HG3 ARG A 43 72.581 -4.681 -44.688 1.00 0.00 H new ATOM 0 HD2 ARG A 43 71.681 -2.867 -42.395 1.00 0.00 H new ATOM 0 HD3 ARG A 43 71.555 -2.502 -44.104 1.00 0.00 H new ATOM 0 HE ARG A 43 70.219 -5.015 -43.358 1.00 0.00 H new ATOM 0 HH11 ARG A 43 70.035 -1.522 -43.623 1.00 0.00 H new ATOM 0 HH12 ARG A 43 68.274 -1.495 -43.762 1.00 0.00 H new ATOM 0 HH21 ARG A 43 67.956 -4.969 -43.539 1.00 0.00 H new ATOM 0 HH22 ARG A 43 67.107 -3.430 -43.715 1.00 0.00 H new ATOM 676 N ASN A 44 74.078 -8.744 -42.185 1.00 0.00 N ATOM 677 CA ASN A 44 74.397 -9.699 -41.130 1.00 0.00 C ATOM 678 C ASN A 44 75.901 -9.945 -41.069 1.00 0.00 C ATOM 679 O ASN A 44 76.599 -9.839 -42.077 1.00 0.00 O ATOM 680 CB ASN A 44 73.671 -11.022 -41.385 1.00 0.00 C ATOM 681 CG ASN A 44 72.203 -10.894 -40.996 1.00 0.00 C ATOM 682 OD1 ASN A 44 71.759 -9.821 -40.586 1.00 0.00 O ATOM 683 ND2 ASN A 44 71.417 -11.931 -41.100 1.00 0.00 N ATOM 0 H ASN A 44 74.002 -9.150 -43.118 1.00 0.00 H new ATOM 0 HA ASN A 44 74.069 -9.283 -40.177 1.00 0.00 H new ATOM 0 HB2 ASN A 44 73.755 -11.295 -42.437 1.00 0.00 H new ATOM 0 HB3 ASN A 44 74.140 -11.820 -40.810 1.00 0.00 H new ATOM 0 HD21 ASN A 44 70.433 -11.853 -40.842 1.00 0.00 H new ATOM 0 HD22 ASN A 44 71.786 -12.819 -41.440 1.00 0.00 H new ATOM 690 N LEU A 45 76.394 -10.274 -39.879 1.00 0.00 N ATOM 691 CA LEU A 45 77.816 -10.549 -39.701 1.00 0.00 C ATOM 692 C LEU A 45 78.138 -11.986 -40.098 1.00 0.00 C ATOM 693 O LEU A 45 77.718 -12.934 -39.432 1.00 0.00 O ATOM 694 CB LEU A 45 78.214 -10.320 -38.242 1.00 0.00 C ATOM 695 CG LEU A 45 77.406 -9.154 -37.669 1.00 0.00 C ATOM 696 CD1 LEU A 45 77.804 -8.924 -36.211 1.00 0.00 C ATOM 697 CD2 LEU A 45 77.693 -7.889 -38.481 1.00 0.00 C ATOM 0 H LEU A 45 75.835 -10.356 -39.030 1.00 0.00 H new ATOM 0 HA LEU A 45 78.380 -9.872 -40.342 1.00 0.00 H new ATOM 0 HB2 LEU A 45 78.033 -11.223 -37.659 1.00 0.00 H new ATOM 0 HB3 LEU A 45 79.280 -10.105 -38.174 1.00 0.00 H new ATOM 0 HG LEU A 45 76.343 -9.388 -37.722 1.00 0.00 H new ATOM 0 HD11 LEU A 45 77.228 -8.093 -35.803 1.00 0.00 H new ATOM 0 HD12 LEU A 45 77.601 -9.825 -35.632 1.00 0.00 H new ATOM 0 HD13 LEU A 45 78.867 -8.690 -36.157 1.00 0.00 H new ATOM 0 HD21 LEU A 45 77.118 -7.057 -38.074 1.00 0.00 H new ATOM 0 HD22 LEU A 45 78.756 -7.656 -38.427 1.00 0.00 H new ATOM 0 HD23 LEU A 45 77.409 -8.052 -39.521 1.00 0.00 H new ATOM 709 N GLN A 46 78.885 -12.141 -41.186 1.00 0.00 N ATOM 710 CA GLN A 46 79.244 -13.468 -41.673 1.00 0.00 C ATOM 711 C GLN A 46 80.742 -13.708 -41.517 1.00 0.00 C ATOM 712 O GLN A 46 81.559 -12.963 -42.056 1.00 0.00 O ATOM 713 CB GLN A 46 78.853 -13.607 -43.145 1.00 0.00 C ATOM 714 CG GLN A 46 77.387 -13.208 -43.327 1.00 0.00 C ATOM 715 CD GLN A 46 76.480 -14.266 -42.709 1.00 0.00 C ATOM 716 OE1 GLN A 46 76.959 -15.287 -42.217 1.00 0.00 O ATOM 717 NE2 GLN A 46 75.187 -14.081 -42.707 1.00 0.00 N ATOM 0 H GLN A 46 79.252 -11.370 -41.744 1.00 0.00 H new ATOM 0 HA GLN A 46 78.705 -14.210 -41.083 1.00 0.00 H new ATOM 0 HB2 GLN A 46 79.492 -12.975 -43.762 1.00 0.00 H new ATOM 0 HB3 GLN A 46 79.005 -14.634 -43.476 1.00 0.00 H new ATOM 0 HG2 GLN A 46 77.204 -12.241 -42.859 1.00 0.00 H new ATOM 0 HG3 GLN A 46 77.160 -13.097 -44.387 1.00 0.00 H new ATOM 0 HE21 GLN A 46 74.792 -13.234 -43.115 1.00 0.00 H new ATOM 0 HE22 GLN A 46 74.572 -14.784 -42.297 1.00 0.00 H new ATOM 726 N CYS A 47 81.095 -14.753 -40.774 1.00 0.00 N ATOM 727 CA CYS A 47 82.498 -15.096 -40.576 1.00 0.00 C ATOM 728 C CYS A 47 83.172 -15.393 -41.913 1.00 0.00 C ATOM 729 O CYS A 47 82.870 -16.393 -42.563 1.00 0.00 O ATOM 730 CB CYS A 47 82.652 -16.326 -39.668 1.00 0.00 C ATOM 731 SG CYS A 47 81.731 -16.132 -38.122 1.00 0.00 S ATOM 0 H CYS A 47 80.435 -15.372 -40.303 1.00 0.00 H new ATOM 0 HA CYS A 47 82.973 -14.238 -40.101 1.00 0.00 H new ATOM 0 HB2 CYS A 47 82.299 -17.213 -40.194 1.00 0.00 H new ATOM 0 HB3 CYS A 47 83.707 -16.485 -39.446 1.00 0.00 H new ATOM 736 N ILE A 48 84.085 -14.515 -42.317 1.00 0.00 N ATOM 737 CA ILE A 48 84.781 -14.682 -43.587 1.00 0.00 C ATOM 738 C ILE A 48 86.189 -15.223 -43.360 1.00 0.00 C ATOM 739 O ILE A 48 87.010 -14.584 -42.702 1.00 0.00 O ATOM 740 CB ILE A 48 84.859 -13.342 -44.320 1.00 0.00 C ATOM 741 CG1 ILE A 48 83.447 -12.877 -44.684 1.00 0.00 C ATOM 742 CG2 ILE A 48 85.686 -13.504 -45.597 1.00 0.00 C ATOM 743 CD1 ILE A 48 83.529 -11.796 -45.764 1.00 0.00 C ATOM 0 H ILE A 48 84.358 -13.687 -41.788 1.00 0.00 H new ATOM 0 HA ILE A 48 84.224 -15.396 -44.194 1.00 0.00 H new ATOM 0 HB ILE A 48 85.331 -12.602 -43.673 1.00 0.00 H new ATOM 0 HG12 ILE A 48 82.856 -13.720 -45.042 1.00 0.00 H new ATOM 0 HG13 ILE A 48 82.942 -12.486 -43.801 1.00 0.00 H new ATOM 0 HG21 ILE A 48 85.741 -12.548 -46.119 1.00 0.00 H new ATOM 0 HG22 ILE A 48 86.692 -13.835 -45.339 1.00 0.00 H new ATOM 0 HG23 ILE A 48 85.215 -14.244 -46.244 1.00 0.00 H new ATOM 0 HD11 ILE A 48 82.524 -11.464 -46.024 1.00 0.00 H new ATOM 0 HD12 ILE A 48 84.105 -10.950 -45.389 1.00 0.00 H new ATOM 0 HD13 ILE A 48 84.017 -12.203 -46.650 1.00 0.00 H new ATOM 755 N CYS A 49 86.461 -16.402 -43.908 1.00 0.00 N ATOM 756 CA CYS A 49 87.781 -17.007 -43.780 1.00 0.00 C ATOM 757 C CYS A 49 88.770 -16.341 -44.732 1.00 0.00 C ATOM 758 O CYS A 49 88.571 -16.338 -45.947 1.00 0.00 O ATOM 759 CB CYS A 49 87.696 -18.488 -44.129 1.00 0.00 C ATOM 760 SG CYS A 49 86.697 -19.426 -42.948 1.00 0.00 S ATOM 0 H CYS A 49 85.790 -16.955 -44.442 1.00 0.00 H new ATOM 0 HA CYS A 49 88.123 -16.876 -42.753 1.00 0.00 H new ATOM 0 HB2 CYS A 49 87.271 -18.598 -45.127 1.00 0.00 H new ATOM 0 HB3 CYS A 49 88.701 -18.908 -44.163 1.00 0.00 H new ATOM 765 N ASP A 50 89.835 -15.777 -44.171 1.00 0.00 N ATOM 766 CA ASP A 50 90.830 -15.080 -44.977 1.00 0.00 C ATOM 767 C ASP A 50 92.164 -15.819 -44.939 1.00 0.00 C ATOM 768 O ASP A 50 92.827 -15.870 -43.903 1.00 0.00 O ATOM 769 CB ASP A 50 91.021 -13.655 -44.456 1.00 0.00 C ATOM 770 CG ASP A 50 89.671 -13.048 -44.091 1.00 0.00 C ATOM 771 OD1 ASP A 50 88.687 -13.428 -44.705 1.00 0.00 O ATOM 772 OD2 ASP A 50 89.639 -12.212 -43.203 1.00 0.00 O ATOM 0 H ASP A 50 90.030 -15.789 -43.170 1.00 0.00 H new ATOM 0 HA ASP A 50 90.475 -15.046 -46.007 1.00 0.00 H new ATOM 0 HB2 ASP A 50 91.674 -13.663 -43.583 1.00 0.00 H new ATOM 0 HB3 ASP A 50 91.511 -13.044 -45.215 1.00 0.00 H new ATOM 777 N TYR A 51 92.549 -16.394 -46.074 1.00 0.00 N ATOM 778 CA TYR A 51 93.827 -17.088 -46.171 1.00 0.00 C ATOM 779 C TYR A 51 94.854 -16.221 -46.894 1.00 0.00 C ATOM 780 O TYR A 51 95.356 -16.591 -47.955 1.00 0.00 O ATOM 781 CB TYR A 51 93.647 -18.407 -46.925 1.00 0.00 C ATOM 782 CG TYR A 51 92.240 -18.915 -46.719 1.00 0.00 C ATOM 783 CD1 TYR A 51 91.951 -19.761 -45.641 1.00 0.00 C ATOM 784 CD2 TYR A 51 91.223 -18.540 -47.606 1.00 0.00 C ATOM 785 CE1 TYR A 51 90.647 -20.231 -45.449 1.00 0.00 C ATOM 786 CE2 TYR A 51 89.918 -19.011 -47.414 1.00 0.00 C ATOM 787 CZ TYR A 51 89.630 -19.857 -46.335 1.00 0.00 C ATOM 788 OH TYR A 51 88.345 -20.320 -46.146 1.00 0.00 O ATOM 0 H TYR A 51 91.999 -16.393 -46.933 1.00 0.00 H new ATOM 0 HA TYR A 51 94.187 -17.292 -45.163 1.00 0.00 H new ATOM 0 HB2 TYR A 51 93.840 -18.260 -47.988 1.00 0.00 H new ATOM 0 HB3 TYR A 51 94.367 -19.144 -46.569 1.00 0.00 H new ATOM 0 HD1 TYR A 51 92.735 -20.051 -44.957 1.00 0.00 H new ATOM 0 HD2 TYR A 51 91.445 -17.888 -48.438 1.00 0.00 H new ATOM 0 HE1 TYR A 51 90.425 -20.883 -44.617 1.00 0.00 H new ATOM 0 HE2 TYR A 51 89.134 -18.722 -48.098 1.00 0.00 H new ATOM 0 HH TYR A 51 87.762 -19.964 -46.849 1.00 0.00 H new ATOM 798 N CYS A 52 95.159 -15.066 -46.311 1.00 0.00 N ATOM 799 CA CYS A 52 96.111 -14.143 -46.919 1.00 0.00 C ATOM 800 C CYS A 52 96.421 -12.990 -45.970 1.00 0.00 C ATOM 801 O CYS A 52 96.078 -13.037 -44.788 1.00 0.00 O ATOM 802 CB CYS A 52 95.539 -13.589 -48.227 1.00 0.00 C ATOM 803 SG CYS A 52 95.850 -14.765 -49.567 1.00 0.00 S ATOM 0 H CYS A 52 94.765 -14.749 -45.426 1.00 0.00 H new ATOM 0 HA CYS A 52 97.033 -14.686 -47.126 1.00 0.00 H new ATOM 0 HB2 CYS A 52 94.468 -13.415 -48.123 1.00 0.00 H new ATOM 0 HB3 CYS A 52 95.998 -12.628 -48.459 1.00 0.00 H new ATOM 808 N GLU A 53 97.072 -11.957 -46.494 1.00 0.00 N ATOM 809 CA GLU A 53 97.403 -10.787 -45.687 1.00 0.00 C ATOM 810 C GLU A 53 96.486 -9.620 -46.033 1.00 0.00 C ATOM 811 O GLU A 53 96.903 -8.663 -46.689 1.00 0.00 O ATOM 812 CB GLU A 53 98.860 -10.385 -45.928 1.00 0.00 C ATOM 813 CG GLU A 53 99.261 -9.298 -44.927 1.00 0.00 C ATOM 814 CD GLU A 53 100.685 -8.832 -45.207 1.00 0.00 C ATOM 815 OE1 GLU A 53 101.265 -9.306 -46.170 1.00 0.00 O ATOM 816 OE2 GLU A 53 101.176 -8.007 -44.455 1.00 0.00 O ATOM 0 H GLU A 53 97.379 -11.905 -47.465 1.00 0.00 H new ATOM 0 HA GLU A 53 97.265 -11.041 -44.636 1.00 0.00 H new ATOM 0 HB2 GLU A 53 99.511 -11.253 -45.819 1.00 0.00 H new ATOM 0 HB3 GLU A 53 98.984 -10.019 -46.947 1.00 0.00 H new ATOM 0 HG2 GLU A 53 98.573 -8.455 -44.998 1.00 0.00 H new ATOM 0 HG3 GLU A 53 99.189 -9.684 -43.910 1.00 0.00 H new ATOM 823 N TYR A 54 95.236 -9.703 -45.589 1.00 0.00 N ATOM 824 CA TYR A 54 94.271 -8.641 -45.850 1.00 0.00 C ATOM 825 C TYR A 54 94.408 -8.131 -47.281 1.00 0.00 C ATOM 826 CB TYR A 54 94.488 -7.486 -44.871 1.00 0.00 C ATOM 827 CG TYR A 54 94.535 -8.022 -43.460 1.00 0.00 C ATOM 828 CD1 TYR A 54 95.739 -8.509 -42.936 1.00 0.00 C ATOM 829 CD2 TYR A 54 93.374 -8.033 -42.677 1.00 0.00 C ATOM 830 CE1 TYR A 54 95.782 -9.006 -41.628 1.00 0.00 C ATOM 831 CE2 TYR A 54 93.418 -8.532 -41.369 1.00 0.00 C ATOM 832 CZ TYR A 54 94.621 -9.017 -40.845 1.00 0.00 C ATOM 833 OH TYR A 54 94.664 -9.509 -39.555 1.00 0.00 O ATOM 0 H TYR A 54 94.869 -10.488 -45.051 1.00 0.00 H new ATOM 0 HA TYR A 54 93.268 -9.047 -45.716 1.00 0.00 H new ATOM 0 HB2 TYR A 54 95.417 -6.967 -45.105 1.00 0.00 H new ATOM 0 HB3 TYR A 54 93.683 -6.757 -44.968 1.00 0.00 H new ATOM 0 HD1 TYR A 54 96.634 -8.501 -43.541 1.00 0.00 H new ATOM 0 HD2 TYR A 54 92.446 -7.657 -43.081 1.00 0.00 H new ATOM 0 HE1 TYR A 54 96.710 -9.381 -41.223 1.00 0.00 H new ATOM 0 HE2 TYR A 54 92.523 -8.542 -40.765 1.00 0.00 H new ATOM 0 HH TYR A 54 93.774 -9.443 -39.150 1.00 0.00 H new TER 843 TYR A 54