USER MOD reduce.3.24.130724 H: found=0, std=0, add=826, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 827 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 71 ASN : amide:sc= -2.51! C(o=-3.1!,f=-0.011!) USER MOD Set 1.2: A 73 THR OG1 : rot 180:sc= -0.559! USER MOD Single : A 1 GLY N :NH3+ 150:sc= 1.2 (180deg=0.311) USER MOD Single : A 6 TYR OH : rot 60:sc= 0.218 USER MOD Single : A 7 ASN : amide:sc= -0.791 K(o=-0.79,f=-7!) USER MOD Single : A 11 MET CE :methyl 154:sc= -1.76! (180deg=-3.51!) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 LYS NZ :NH3+ -101:sc= 1.25 (180deg=-0.341) USER MOD Single : A 63 MET CE :methyl -174:sc= -1.72 (180deg=-1.8) USER MOD Single : A 64 MET CE :methyl -155:sc= -0.166 (180deg=-0.583) USER MOD Single : A 67 THR OG1 : rot 99:sc= 0.677 USER MOD Single : A 69 SER OG : rot 160:sc= 0.0366 USER MOD Single : A 75 LYS NZ :NH3+ 164:sc= -0.0712 (180deg=-0.369) USER MOD Single : A 77 THR OG1 : rot 146:sc= 1.17 USER MOD Single : A 81 THR OG1 : rot 86:sc= 1.04 USER MOD Single : A 82 SER OG : rot 72:sc= 1.25 USER MOD Single : A 85 GLN : amide:sc= 1.28 K(o=1.3,f=-9.3!) USER MOD Single : A 87 SER OG : rot 71:sc= 1.2 USER MOD Single : A 90 ASN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= -1.68! C(o=-1.7!,f=-6.7!) USER MOD Single : A 102 SER OG : rot 180:sc= 0.0137 USER MOD Single : A 108 MET CE :methyl -179:sc= -2.15 (180deg=-2.19) USER MOD Single : A 113 SER OG : rot 97:sc= 0.188 USER MOD Single : A 114 TYR OH : rot 30:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ -172:sc= 0.0439 (180deg=0.00929) USER MOD Single : A 124 SER OG : rot -35:sc= 0.669 USER MOD Single : A 125 GLN : amide:sc= -3.81! K(o=-3.8!,f=-0.66) USER MOD Single : A 128 CYS SG : rot 44:sc= 0.482 USER MOD Single : A 132 THR OG1 : rot 180:sc= 0 USER MOD Single : A 136 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 137 MET CE :methyl -146:sc= -3.06! (180deg=-3.75!) USER MOD Single : A 138 TYR OH : rot 103:sc= 1.4 USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.004 -16.489 3.451 1.00 0.00 N ATOM 2 CA GLY A 1 -2.502 -15.451 4.387 1.00 0.00 C ATOM 3 C GLY A 1 -1.689 -16.054 5.517 1.00 0.00 C ATOM 4 O GLY A 1 -2.245 -16.703 6.405 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.904 -16.175 3.034 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.307 -16.641 2.695 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.154 -17.379 3.968 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.888 -14.735 3.840 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -3.345 -14.897 4.801 1.00 0.00 H new ATOM 10 N ASP A 2 -0.372 -15.844 5.492 1.00 0.00 N ATOM 11 CA ASP A 2 0.535 -16.460 6.473 1.00 0.00 C ATOM 12 C ASP A 2 1.636 -15.485 6.874 1.00 0.00 C ATOM 13 O ASP A 2 2.035 -15.423 8.037 1.00 0.00 O ATOM 14 CB ASP A 2 1.168 -17.740 5.904 1.00 0.00 C ATOM 15 CG ASP A 2 0.144 -18.828 5.621 1.00 0.00 C ATOM 16 OD1 ASP A 2 -0.418 -18.848 4.505 1.00 0.00 O ATOM 17 OD2 ASP A 2 -0.112 -19.665 6.514 1.00 0.00 O ATOM 0 H ASP A 2 0.095 -15.252 4.804 1.00 0.00 H new ATOM 0 HA ASP A 2 -0.054 -16.717 7.354 1.00 0.00 H new ATOM 0 HB2 ASP A 2 1.699 -17.499 4.983 1.00 0.00 H new ATOM 0 HB3 ASP A 2 1.908 -18.118 6.609 1.00 0.00 H new ATOM 22 N ILE A 3 2.130 -14.732 5.894 1.00 0.00 N ATOM 23 CA ILE A 3 3.193 -13.757 6.123 1.00 0.00 C ATOM 24 C ILE A 3 2.684 -12.593 6.989 1.00 0.00 C ATOM 25 O ILE A 3 2.113 -11.621 6.493 1.00 0.00 O ATOM 26 CB ILE A 3 3.773 -13.250 4.772 1.00 0.00 C ATOM 27 CG1 ILE A 3 4.880 -12.207 4.994 1.00 0.00 C ATOM 28 CG2 ILE A 3 2.666 -12.688 3.878 1.00 0.00 C ATOM 29 CD1 ILE A 3 5.537 -11.731 3.712 1.00 0.00 C ATOM 0 H ILE A 3 1.808 -14.779 4.927 1.00 0.00 H new ATOM 0 HA ILE A 3 4.001 -14.246 6.667 1.00 0.00 H new ATOM 0 HB ILE A 3 4.220 -14.104 4.263 1.00 0.00 H new ATOM 0 HG12 ILE A 3 4.458 -11.348 5.516 1.00 0.00 H new ATOM 0 HG13 ILE A 3 5.643 -12.633 5.646 1.00 0.00 H new ATOM 0 HG21 ILE A 3 3.098 -12.340 2.940 1.00 0.00 H new ATOM 0 HG22 ILE A 3 1.933 -13.468 3.673 1.00 0.00 H new ATOM 0 HG23 ILE A 3 2.178 -11.855 4.384 1.00 0.00 H new ATOM 0 HD11 ILE A 3 6.307 -10.997 3.949 1.00 0.00 H new ATOM 0 HD12 ILE A 3 5.990 -12.579 3.198 1.00 0.00 H new ATOM 0 HD13 ILE A 3 4.787 -11.274 3.066 1.00 0.00 H new ATOM 41 N ARG A 4 2.867 -12.727 8.299 1.00 0.00 N ATOM 42 CA ARG A 4 2.357 -11.755 9.269 1.00 0.00 C ATOM 43 C ARG A 4 3.492 -10.951 9.907 1.00 0.00 C ATOM 44 O ARG A 4 3.343 -9.750 10.154 1.00 0.00 O ATOM 45 CB ARG A 4 1.550 -12.485 10.355 1.00 0.00 C ATOM 46 CG ARG A 4 0.342 -13.241 9.808 1.00 0.00 C ATOM 47 CD ARG A 4 -0.304 -14.139 10.858 1.00 0.00 C ATOM 48 NE ARG A 4 -1.447 -14.876 10.307 1.00 0.00 N ATOM 49 CZ ARG A 4 -1.480 -16.200 10.129 1.00 0.00 C ATOM 50 NH1 ARG A 4 -0.435 -16.950 10.455 1.00 0.00 N ATOM 51 NH2 ARG A 4 -2.563 -16.768 9.616 1.00 0.00 N ATOM 0 H ARG A 4 3.370 -13.508 8.720 1.00 0.00 H new ATOM 0 HA ARG A 4 1.711 -11.054 8.741 1.00 0.00 H new ATOM 0 HB2 ARG A 4 2.204 -13.186 10.873 1.00 0.00 H new ATOM 0 HB3 ARG A 4 1.211 -11.760 11.094 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -0.395 -12.527 9.441 1.00 0.00 H new ATOM 0 HG3 ARG A 4 0.651 -13.846 8.956 1.00 0.00 H new ATOM 0 HD2 ARG A 4 0.435 -14.844 11.239 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -0.633 -13.534 11.703 1.00 0.00 H new ATOM 0 HE ARG A 4 -2.274 -14.341 10.041 1.00 0.00 H new ATOM 0 HH11 ARG A 4 0.402 -16.517 10.845 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -0.469 -17.960 10.316 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -3.366 -16.195 9.359 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -2.592 -17.778 9.478 1.00 0.00 H new ATOM 65 N ASP A 5 4.625 -11.612 10.158 1.00 0.00 N ATOM 66 CA ASP A 5 5.776 -10.966 10.805 1.00 0.00 C ATOM 67 C ASP A 5 6.214 -9.735 10.022 1.00 0.00 C ATOM 68 O ASP A 5 6.502 -8.690 10.605 1.00 0.00 O ATOM 69 CB ASP A 5 6.961 -11.937 10.940 1.00 0.00 C ATOM 70 CG ASP A 5 6.707 -13.059 11.937 1.00 0.00 C ATOM 71 OD1 ASP A 5 6.790 -12.809 13.156 1.00 0.00 O ATOM 72 OD2 ASP A 5 6.432 -14.199 11.506 1.00 0.00 O ATOM 0 H ASP A 5 4.772 -12.594 9.924 1.00 0.00 H new ATOM 0 HA ASP A 5 5.459 -10.663 11.803 1.00 0.00 H new ATOM 0 HB2 ASP A 5 7.181 -12.370 9.964 1.00 0.00 H new ATOM 0 HB3 ASP A 5 7.846 -11.380 11.248 1.00 0.00 H new ATOM 77 N TYR A 6 6.264 -9.870 8.699 1.00 0.00 N ATOM 78 CA TYR A 6 6.599 -8.753 7.820 1.00 0.00 C ATOM 79 C TYR A 6 5.664 -7.573 8.077 1.00 0.00 C ATOM 80 O TYR A 6 6.112 -6.440 8.253 1.00 0.00 O ATOM 81 CB TYR A 6 6.539 -9.197 6.341 1.00 0.00 C ATOM 82 CG TYR A 6 5.816 -8.232 5.411 1.00 0.00 C ATOM 83 CD1 TYR A 6 6.410 -7.041 4.999 1.00 0.00 C ATOM 84 CD2 TYR A 6 4.534 -8.516 4.950 1.00 0.00 C ATOM 85 CE1 TYR A 6 5.744 -6.169 4.160 1.00 0.00 C ATOM 86 CE2 TYR A 6 3.867 -7.649 4.110 1.00 0.00 C ATOM 87 CZ TYR A 6 4.473 -6.479 3.718 1.00 0.00 C ATOM 88 OH TYR A 6 3.811 -5.620 2.872 1.00 0.00 O ATOM 0 H TYR A 6 6.076 -10.746 8.211 1.00 0.00 H new ATOM 0 HA TYR A 6 7.617 -8.430 8.036 1.00 0.00 H new ATOM 0 HB2 TYR A 6 7.557 -9.336 5.977 1.00 0.00 H new ATOM 0 HB3 TYR A 6 6.046 -10.168 6.288 1.00 0.00 H new ATOM 0 HD1 TYR A 6 7.405 -6.796 5.340 1.00 0.00 H new ATOM 0 HD2 TYR A 6 4.052 -9.433 5.256 1.00 0.00 H new ATOM 0 HE1 TYR A 6 6.216 -5.248 3.851 1.00 0.00 H new ATOM 0 HE2 TYR A 6 2.873 -7.888 3.762 1.00 0.00 H new ATOM 0 HH TYR A 6 4.329 -5.508 2.048 1.00 0.00 H new ATOM 98 N ASN A 7 4.364 -7.859 8.146 1.00 0.00 N ATOM 99 CA ASN A 7 3.365 -6.813 8.333 1.00 0.00 C ATOM 100 C ASN A 7 3.632 -6.111 9.655 1.00 0.00 C ATOM 101 O ASN A 7 4.018 -4.943 9.684 1.00 0.00 O ATOM 102 CB ASN A 7 1.934 -7.381 8.312 1.00 0.00 C ATOM 103 CG ASN A 7 1.479 -7.807 6.925 1.00 0.00 C ATOM 104 OD1 ASN A 7 0.922 -7.012 6.168 1.00 0.00 O ATOM 105 ND2 ASN A 7 1.689 -9.068 6.587 1.00 0.00 N ATOM 0 H ASN A 7 3.982 -8.802 8.075 1.00 0.00 H new ATOM 0 HA ASN A 7 3.443 -6.105 7.508 1.00 0.00 H new ATOM 0 HB2 ASN A 7 1.880 -8.237 8.984 1.00 0.00 H new ATOM 0 HB3 ASN A 7 1.246 -6.629 8.698 1.00 0.00 H new ATOM 0 HD21 ASN A 7 1.386 -9.409 5.674 1.00 0.00 H new ATOM 0 HD22 ASN A 7 2.154 -9.700 7.239 1.00 0.00 H new ATOM 112 N ASP A 8 3.489 -6.868 10.734 1.00 0.00 N ATOM 113 CA ASP A 8 3.682 -6.347 12.080 1.00 0.00 C ATOM 114 C ASP A 8 5.013 -5.602 12.185 1.00 0.00 C ATOM 115 O ASP A 8 5.044 -4.374 12.276 1.00 0.00 O ATOM 116 CB ASP A 8 3.632 -7.498 13.097 1.00 0.00 C ATOM 117 CG ASP A 8 3.810 -7.026 14.530 1.00 0.00 C ATOM 118 OD1 ASP A 8 2.795 -6.686 15.177 1.00 0.00 O ATOM 119 OD2 ASP A 8 4.963 -6.994 15.017 1.00 0.00 O ATOM 0 H ASP A 8 3.237 -7.856 10.702 1.00 0.00 H new ATOM 0 HA ASP A 8 2.880 -5.643 12.300 1.00 0.00 H new ATOM 0 HB2 ASP A 8 2.677 -8.016 13.006 1.00 0.00 H new ATOM 0 HB3 ASP A 8 4.411 -8.222 12.858 1.00 0.00 H new ATOM 124 N ALA A 9 6.105 -6.351 12.117 1.00 0.00 N ATOM 125 CA ALA A 9 7.438 -5.795 12.314 1.00 0.00 C ATOM 126 C ALA A 9 7.756 -4.696 11.302 1.00 0.00 C ATOM 127 O ALA A 9 7.905 -3.526 11.668 1.00 0.00 O ATOM 128 CB ALA A 9 8.483 -6.903 12.235 1.00 0.00 C ATOM 0 H ALA A 9 6.094 -7.353 11.925 1.00 0.00 H new ATOM 0 HA ALA A 9 7.463 -5.342 13.305 1.00 0.00 H new ATOM 0 HB1 ALA A 9 9.476 -6.478 12.383 1.00 0.00 H new ATOM 0 HB2 ALA A 9 8.286 -7.645 13.009 1.00 0.00 H new ATOM 0 HB3 ALA A 9 8.435 -7.379 11.256 1.00 0.00 H new ATOM 134 N ASP A 10 7.820 -5.068 10.027 1.00 0.00 N ATOM 135 CA ASP A 10 8.366 -4.181 9.003 1.00 0.00 C ATOM 136 C ASP A 10 7.434 -2.997 8.756 1.00 0.00 C ATOM 137 O ASP A 10 7.880 -1.844 8.745 1.00 0.00 O ATOM 138 CB ASP A 10 8.630 -4.954 7.701 1.00 0.00 C ATOM 139 CG ASP A 10 9.537 -4.198 6.737 1.00 0.00 C ATOM 140 OD1 ASP A 10 10.781 -4.322 6.867 1.00 0.00 O ATOM 141 OD2 ASP A 10 9.022 -3.491 5.852 1.00 0.00 O ATOM 0 H ASP A 10 7.503 -5.973 9.679 1.00 0.00 H new ATOM 0 HA ASP A 10 9.317 -3.789 9.363 1.00 0.00 H new ATOM 0 HB2 ASP A 10 9.084 -5.916 7.941 1.00 0.00 H new ATOM 0 HB3 ASP A 10 7.680 -5.164 7.210 1.00 0.00 H new ATOM 146 N MET A 11 6.134 -3.268 8.612 1.00 0.00 N ATOM 147 CA MET A 11 5.186 -2.207 8.282 1.00 0.00 C ATOM 148 C MET A 11 4.993 -1.261 9.464 1.00 0.00 C ATOM 149 O MET A 11 4.890 -0.055 9.272 1.00 0.00 O ATOM 150 CB MET A 11 3.833 -2.772 7.828 1.00 0.00 C ATOM 151 CG MET A 11 3.874 -3.576 6.526 1.00 0.00 C ATOM 152 SD MET A 11 4.072 -2.550 5.047 1.00 0.00 S ATOM 153 CE MET A 11 5.846 -2.294 4.997 1.00 0.00 C ATOM 0 H MET A 11 5.722 -4.195 8.717 1.00 0.00 H new ATOM 0 HA MET A 11 5.610 -1.646 7.449 1.00 0.00 H new ATOM 0 HB2 MET A 11 3.438 -3.409 8.619 1.00 0.00 H new ATOM 0 HB3 MET A 11 3.133 -1.945 7.706 1.00 0.00 H new ATOM 0 HG2 MET A 11 4.696 -4.290 6.575 1.00 0.00 H new ATOM 0 HG3 MET A 11 2.954 -4.154 6.437 1.00 0.00 H new ATOM 0 HE1 MET A 11 6.158 -2.106 3.970 1.00 0.00 H new ATOM 0 HE2 MET A 11 6.108 -1.437 5.618 1.00 0.00 H new ATOM 0 HE3 MET A 11 6.353 -3.183 5.373 1.00 0.00 H new ATOM 163 N ALA A 12 4.958 -1.789 10.691 1.00 0.00 N ATOM 164 CA ALA A 12 4.811 -0.923 11.860 1.00 0.00 C ATOM 165 C ALA A 12 6.034 -0.021 12.012 1.00 0.00 C ATOM 166 O ALA A 12 5.901 1.190 12.192 1.00 0.00 O ATOM 167 CB ALA A 12 4.584 -1.730 13.133 1.00 0.00 C ATOM 0 H ALA A 12 5.028 -2.786 10.897 1.00 0.00 H new ATOM 0 HA ALA A 12 3.930 -0.301 11.702 1.00 0.00 H new ATOM 0 HB1 ALA A 12 4.479 -1.052 13.980 1.00 0.00 H new ATOM 0 HB2 ALA A 12 3.676 -2.324 13.030 1.00 0.00 H new ATOM 0 HB3 ALA A 12 5.434 -2.392 13.301 1.00 0.00 H new ATOM 173 N ARG A 13 7.223 -0.614 11.906 1.00 0.00 N ATOM 174 CA ARG A 13 8.473 0.120 12.120 1.00 0.00 C ATOM 175 C ARG A 13 8.750 1.117 10.991 1.00 0.00 C ATOM 176 O ARG A 13 9.432 2.120 11.202 1.00 0.00 O ATOM 177 CB ARG A 13 9.644 -0.862 12.277 1.00 0.00 C ATOM 178 CG ARG A 13 9.527 -1.740 13.522 1.00 0.00 C ATOM 179 CD ARG A 13 10.626 -2.794 13.592 1.00 0.00 C ATOM 180 NE ARG A 13 10.461 -3.674 14.754 1.00 0.00 N ATOM 181 CZ ARG A 13 10.698 -4.987 14.745 1.00 0.00 C ATOM 182 NH1 ARG A 13 11.139 -5.588 13.646 1.00 0.00 N ATOM 183 NH2 ARG A 13 10.496 -5.703 15.843 1.00 0.00 N ATOM 0 H ARG A 13 7.348 -1.599 11.674 1.00 0.00 H new ATOM 0 HA ARG A 13 8.367 0.696 13.039 1.00 0.00 H new ATOM 0 HB2 ARG A 13 9.697 -1.499 11.394 1.00 0.00 H new ATOM 0 HB3 ARG A 13 10.577 -0.301 12.322 1.00 0.00 H new ATOM 0 HG2 ARG A 13 9.571 -1.112 14.412 1.00 0.00 H new ATOM 0 HG3 ARG A 13 8.554 -2.232 13.527 1.00 0.00 H new ATOM 0 HD2 ARG A 13 10.617 -3.390 12.680 1.00 0.00 H new ATOM 0 HD3 ARG A 13 11.598 -2.303 13.642 1.00 0.00 H new ATOM 0 HE ARG A 13 10.144 -3.254 15.628 1.00 0.00 H new ATOM 0 HH11 ARG A 13 11.300 -5.045 12.798 1.00 0.00 H new ATOM 0 HH12 ARG A 13 11.317 -6.592 13.650 1.00 0.00 H new ATOM 0 HH21 ARG A 13 10.160 -5.250 16.693 1.00 0.00 H new ATOM 0 HH22 ARG A 13 10.677 -6.707 15.838 1.00 0.00 H new ATOM 197 N LEU A 14 8.231 0.840 9.796 1.00 0.00 N ATOM 198 CA LEU A 14 8.364 1.769 8.672 1.00 0.00 C ATOM 199 C LEU A 14 7.295 2.861 8.737 1.00 0.00 C ATOM 200 O LEU A 14 7.601 4.054 8.696 1.00 0.00 O ATOM 201 CB LEU A 14 8.270 1.012 7.334 1.00 0.00 C ATOM 202 CG LEU A 14 8.195 1.893 6.067 1.00 0.00 C ATOM 203 CD1 LEU A 14 9.402 2.824 5.966 1.00 0.00 C ATOM 204 CD2 LEU A 14 8.075 1.025 4.816 1.00 0.00 C ATOM 0 H LEU A 14 7.717 -0.014 9.580 1.00 0.00 H new ATOM 0 HA LEU A 14 9.343 2.243 8.739 1.00 0.00 H new ATOM 0 HB2 LEU A 14 9.137 0.357 7.247 1.00 0.00 H new ATOM 0 HB3 LEU A 14 7.388 0.372 7.361 1.00 0.00 H new ATOM 0 HG LEU A 14 7.303 2.514 6.143 1.00 0.00 H new ATOM 0 HD11 LEU A 14 9.319 3.430 5.064 1.00 0.00 H new ATOM 0 HD12 LEU A 14 9.433 3.475 6.839 1.00 0.00 H new ATOM 0 HD13 LEU A 14 10.316 2.232 5.922 1.00 0.00 H new ATOM 0 HD21 LEU A 14 8.023 1.663 3.934 1.00 0.00 H new ATOM 0 HD22 LEU A 14 8.945 0.372 4.741 1.00 0.00 H new ATOM 0 HD23 LEU A 14 7.171 0.419 4.879 1.00 0.00 H new ATOM 216 N LEU A 15 6.040 2.444 8.860 1.00 0.00 N ATOM 217 CA LEU A 15 4.911 3.371 8.812 1.00 0.00 C ATOM 218 C LEU A 15 4.807 4.211 10.082 1.00 0.00 C ATOM 219 O LEU A 15 4.140 5.247 10.080 1.00 0.00 O ATOM 220 CB LEU A 15 3.592 2.623 8.546 1.00 0.00 C ATOM 221 CG LEU A 15 3.342 2.215 7.078 1.00 0.00 C ATOM 222 CD1 LEU A 15 3.200 3.449 6.188 1.00 0.00 C ATOM 223 CD2 LEU A 15 4.456 1.307 6.559 1.00 0.00 C ATOM 0 H LEU A 15 5.776 1.468 8.994 1.00 0.00 H new ATOM 0 HA LEU A 15 5.094 4.054 7.982 1.00 0.00 H new ATOM 0 HB2 LEU A 15 3.574 1.724 9.162 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.765 3.252 8.876 1.00 0.00 H new ATOM 0 HG LEU A 15 2.407 1.656 7.044 1.00 0.00 H new ATOM 0 HD11 LEU A 15 3.025 3.137 5.158 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.360 4.051 6.533 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.114 4.040 6.237 1.00 0.00 H new ATOM 0 HD21 LEU A 15 4.252 1.037 5.523 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.410 1.832 6.616 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.502 0.404 7.167 1.00 0.00 H new ATOM 235 N GLU A 16 5.471 3.782 11.161 1.00 0.00 N ATOM 236 CA GLU A 16 5.478 4.558 12.402 1.00 0.00 C ATOM 237 C GLU A 16 6.025 5.954 12.124 1.00 0.00 C ATOM 238 O GLU A 16 5.600 6.941 12.734 1.00 0.00 O ATOM 239 CB GLU A 16 6.297 3.846 13.502 1.00 0.00 C ATOM 240 CG GLU A 16 7.820 4.009 13.406 1.00 0.00 C ATOM 241 CD GLU A 16 8.334 5.216 14.186 1.00 0.00 C ATOM 242 OE1 GLU A 16 8.084 5.272 15.407 1.00 0.00 O ATOM 243 OE2 GLU A 16 8.980 6.105 13.589 1.00 0.00 O ATOM 0 H GLU A 16 6.004 2.913 11.199 1.00 0.00 H new ATOM 0 HA GLU A 16 4.456 4.645 12.770 1.00 0.00 H new ATOM 0 HB2 GLU A 16 5.970 4.220 14.472 1.00 0.00 H new ATOM 0 HB3 GLU A 16 6.061 2.782 13.474 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.302 3.107 13.782 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.105 4.110 12.359 1.00 0.00 H new ATOM 250 N GLN A 17 6.958 6.019 11.176 1.00 0.00 N ATOM 251 CA GLN A 17 7.537 7.280 10.747 1.00 0.00 C ATOM 252 C GLN A 17 6.467 8.142 10.089 1.00 0.00 C ATOM 253 O GLN A 17 6.339 9.321 10.391 1.00 0.00 O ATOM 254 CB GLN A 17 8.685 7.035 9.763 1.00 0.00 C ATOM 255 CG GLN A 17 9.425 8.304 9.360 1.00 0.00 C ATOM 256 CD GLN A 17 10.358 8.093 8.182 1.00 0.00 C ATOM 257 OE1 GLN A 17 11.523 7.740 8.349 1.00 0.00 O ATOM 258 NE2 GLN A 17 9.851 8.325 6.979 1.00 0.00 N ATOM 0 H GLN A 17 7.328 5.202 10.690 1.00 0.00 H new ATOM 0 HA GLN A 17 7.931 7.799 11.621 1.00 0.00 H new ATOM 0 HB2 GLN A 17 9.393 6.338 10.211 1.00 0.00 H new ATOM 0 HB3 GLN A 17 8.289 6.556 8.868 1.00 0.00 H new ATOM 0 HG2 GLN A 17 8.699 9.078 9.109 1.00 0.00 H new ATOM 0 HG3 GLN A 17 9.999 8.670 10.211 1.00 0.00 H new ATOM 0 HE21 GLN A 17 8.878 8.617 6.883 1.00 0.00 H new ATOM 0 HE22 GLN A 17 10.434 8.212 6.149 1.00 0.00 H new ATOM 267 N TRP A 18 5.683 7.525 9.209 1.00 0.00 N ATOM 268 CA TRP A 18 4.634 8.227 8.470 1.00 0.00 C ATOM 269 C TRP A 18 3.567 8.769 9.420 1.00 0.00 C ATOM 270 O TRP A 18 3.079 9.893 9.250 1.00 0.00 O ATOM 271 CB TRP A 18 3.992 7.289 7.439 1.00 0.00 C ATOM 272 CG TRP A 18 4.943 6.820 6.374 1.00 0.00 C ATOM 273 CD1 TRP A 18 5.982 5.947 6.526 1.00 0.00 C ATOM 274 CD2 TRP A 18 4.935 7.195 4.993 1.00 0.00 C ATOM 275 NE1 TRP A 18 6.618 5.756 5.325 1.00 0.00 N ATOM 276 CE2 TRP A 18 5.995 6.514 4.369 1.00 0.00 C ATOM 277 CE3 TRP A 18 4.132 8.043 4.225 1.00 0.00 C ATOM 278 CZ2 TRP A 18 6.273 6.650 3.014 1.00 0.00 C ATOM 279 CZ3 TRP A 18 4.411 8.180 2.878 1.00 0.00 C ATOM 280 CH2 TRP A 18 5.473 7.486 2.286 1.00 0.00 C ATOM 0 H TRP A 18 5.755 6.532 8.988 1.00 0.00 H new ATOM 0 HA TRP A 18 5.091 9.069 7.950 1.00 0.00 H new ATOM 0 HB2 TRP A 18 3.583 6.421 7.956 1.00 0.00 H new ATOM 0 HB3 TRP A 18 3.155 7.802 6.966 1.00 0.00 H new ATOM 0 HD1 TRP A 18 6.262 5.475 7.456 1.00 0.00 H new ATOM 0 HE1 TRP A 18 7.423 5.149 5.170 1.00 0.00 H new ATOM 0 HE3 TRP A 18 3.310 8.580 4.675 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 7.090 6.115 2.553 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 3.800 8.833 2.273 1.00 0.00 H new ATOM 0 HH2 TRP A 18 5.664 7.614 1.231 1.00 0.00 H new ATOM 291 N GLU A 19 3.207 7.961 10.416 1.00 0.00 N ATOM 292 CA GLU A 19 2.248 8.370 11.437 1.00 0.00 C ATOM 293 C GLU A 19 2.814 9.551 12.219 1.00 0.00 C ATOM 294 O GLU A 19 2.118 10.530 12.497 1.00 0.00 O ATOM 295 CB GLU A 19 1.949 7.199 12.386 1.00 0.00 C ATOM 296 CG GLU A 19 1.464 5.938 11.678 1.00 0.00 C ATOM 297 CD GLU A 19 1.237 4.772 12.632 1.00 0.00 C ATOM 298 OE1 GLU A 19 2.198 4.368 13.322 1.00 0.00 O ATOM 299 OE2 GLU A 19 0.104 4.247 12.689 1.00 0.00 O ATOM 0 H GLU A 19 3.568 7.015 10.536 1.00 0.00 H new ATOM 0 HA GLU A 19 1.317 8.669 10.956 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.851 6.963 12.951 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.194 7.512 13.107 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.534 6.157 11.153 1.00 0.00 H new ATOM 0 HG3 GLU A 19 2.195 5.647 10.924 1.00 0.00 H new ATOM 306 N LYS A 20 4.095 9.440 12.546 1.00 0.00 N ATOM 307 CA LYS A 20 4.823 10.478 13.265 1.00 0.00 C ATOM 308 C LYS A 20 4.882 11.773 12.453 1.00 0.00 C ATOM 309 O LYS A 20 4.582 12.844 12.974 1.00 0.00 O ATOM 310 CB LYS A 20 6.226 9.958 13.592 1.00 0.00 C ATOM 311 CG LYS A 20 7.233 11.014 14.041 1.00 0.00 C ATOM 312 CD LYS A 20 8.511 10.363 14.570 1.00 0.00 C ATOM 313 CE LYS A 20 9.015 9.264 13.637 1.00 0.00 C ATOM 314 NZ LYS A 20 10.144 8.497 14.226 1.00 0.00 N ATOM 0 H LYS A 20 4.662 8.623 12.319 1.00 0.00 H new ATOM 0 HA LYS A 20 4.302 10.713 14.193 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.141 9.206 14.376 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.623 9.456 12.710 1.00 0.00 H new ATOM 0 HG2 LYS A 20 7.474 11.670 13.205 1.00 0.00 H new ATOM 0 HG3 LYS A 20 6.790 11.637 14.818 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.284 11.122 14.688 1.00 0.00 H new ATOM 0 HD3 LYS A 20 8.323 9.943 15.558 1.00 0.00 H new ATOM 0 HE2 LYS A 20 8.196 8.582 13.407 1.00 0.00 H new ATOM 0 HE3 LYS A 20 9.334 9.709 12.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 11.041 8.831 13.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 10.159 8.637 15.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 10.024 7.486 14.016 1.00 0.00 H new ATOM 328 N ASP A 21 5.243 11.661 11.176 1.00 0.00 N ATOM 329 CA ASP A 21 5.344 12.821 10.286 1.00 0.00 C ATOM 330 C ASP A 21 4.006 13.539 10.194 1.00 0.00 C ATOM 331 O ASP A 21 3.931 14.766 10.273 1.00 0.00 O ATOM 332 CB ASP A 21 5.797 12.399 8.877 1.00 0.00 C ATOM 333 CG ASP A 21 7.245 11.922 8.826 1.00 0.00 C ATOM 334 OD1 ASP A 21 8.108 12.547 9.481 1.00 0.00 O ATOM 335 OD2 ASP A 21 7.530 10.939 8.108 1.00 0.00 O ATOM 0 H ASP A 21 5.472 10.773 10.730 1.00 0.00 H new ATOM 0 HA ASP A 21 6.089 13.497 10.706 1.00 0.00 H new ATOM 0 HB2 ASP A 21 5.146 11.602 8.517 1.00 0.00 H new ATOM 0 HB3 ASP A 21 5.675 13.242 8.196 1.00 0.00 H new ATOM 340 N ASP A 22 2.946 12.756 10.032 1.00 0.00 N ATOM 341 CA ASP A 22 1.592 13.297 9.928 1.00 0.00 C ATOM 342 C ASP A 22 1.192 13.978 11.233 1.00 0.00 C ATOM 343 O ASP A 22 0.533 15.021 11.232 1.00 0.00 O ATOM 344 CB ASP A 22 0.614 12.170 9.588 1.00 0.00 C ATOM 345 CG ASP A 22 -0.806 12.653 9.328 1.00 0.00 C ATOM 346 OD1 ASP A 22 -1.034 13.311 8.291 1.00 0.00 O ATOM 347 OD2 ASP A 22 -1.704 12.327 10.130 1.00 0.00 O ATOM 0 H ASP A 22 2.997 11.739 9.969 1.00 0.00 H new ATOM 0 HA ASP A 22 1.564 14.042 9.133 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.976 11.640 8.707 1.00 0.00 H new ATOM 0 HB3 ASP A 22 0.600 11.452 10.408 1.00 0.00 H new ATOM 352 N ASP A 23 1.620 13.391 12.346 1.00 0.00 N ATOM 353 CA ASP A 23 1.337 13.944 13.667 1.00 0.00 C ATOM 354 C ASP A 23 2.098 15.256 13.857 1.00 0.00 C ATOM 355 O ASP A 23 1.581 16.214 14.439 1.00 0.00 O ATOM 356 CB ASP A 23 1.716 12.930 14.755 1.00 0.00 C ATOM 357 CG ASP A 23 0.972 13.160 16.061 1.00 0.00 C ATOM 358 OD1 ASP A 23 -0.278 13.044 16.058 1.00 0.00 O ATOM 359 OD2 ASP A 23 1.622 13.408 17.094 1.00 0.00 O ATOM 0 H ASP A 23 2.166 12.530 12.360 1.00 0.00 H new ATOM 0 HA ASP A 23 0.270 14.150 13.749 1.00 0.00 H new ATOM 0 HB2 ASP A 23 1.506 11.923 14.395 1.00 0.00 H new ATOM 0 HB3 ASP A 23 2.789 12.986 14.939 1.00 0.00 H new ATOM 364 N ILE A 24 3.324 15.302 13.333 1.00 0.00 N ATOM 365 CA ILE A 24 4.119 16.529 13.330 1.00 0.00 C ATOM 366 C ILE A 24 3.404 17.600 12.511 1.00 0.00 C ATOM 367 O ILE A 24 3.396 18.779 12.874 1.00 0.00 O ATOM 368 CB ILE A 24 5.542 16.295 12.750 1.00 0.00 C ATOM 369 CG1 ILE A 24 6.320 15.283 13.610 1.00 0.00 C ATOM 370 CG2 ILE A 24 6.313 17.615 12.646 1.00 0.00 C ATOM 371 CD1 ILE A 24 7.679 14.912 13.048 1.00 0.00 C ATOM 0 H ILE A 24 3.788 14.501 12.904 1.00 0.00 H new ATOM 0 HA ILE A 24 4.229 16.857 14.364 1.00 0.00 H new ATOM 0 HB ILE A 24 5.434 15.883 11.747 1.00 0.00 H new ATOM 0 HG12 ILE A 24 6.452 15.697 14.610 1.00 0.00 H new ATOM 0 HG13 ILE A 24 5.723 14.377 13.717 1.00 0.00 H new ATOM 0 HG21 ILE A 24 7.306 17.425 12.238 1.00 0.00 H new ATOM 0 HG22 ILE A 24 5.775 18.300 11.990 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.407 18.060 13.636 1.00 0.00 H new ATOM 0 HD11 ILE A 24 8.164 14.195 13.711 1.00 0.00 H new ATOM 0 HD12 ILE A 24 7.555 14.467 12.061 1.00 0.00 H new ATOM 0 HD13 ILE A 24 8.296 15.807 12.968 1.00 0.00 H new ATOM 383 N GLU A 25 2.790 17.174 11.408 1.00 0.00 N ATOM 384 CA GLU A 25 1.988 18.064 10.572 1.00 0.00 C ATOM 385 C GLU A 25 0.789 18.604 11.346 1.00 0.00 C ATOM 386 O GLU A 25 0.389 19.756 11.162 1.00 0.00 O ATOM 387 CB GLU A 25 1.517 17.335 9.310 1.00 0.00 C ATOM 388 CG GLU A 25 2.623 17.097 8.292 1.00 0.00 C ATOM 389 CD GLU A 25 3.232 18.398 7.791 1.00 0.00 C ATOM 390 OE1 GLU A 25 2.476 19.248 7.271 1.00 0.00 O ATOM 391 OE2 GLU A 25 4.458 18.589 7.933 1.00 0.00 O ATOM 0 H GLU A 25 2.834 16.212 11.072 1.00 0.00 H new ATOM 0 HA GLU A 25 2.615 18.906 10.278 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.085 16.376 9.595 1.00 0.00 H new ATOM 0 HB3 GLU A 25 0.722 17.915 8.841 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.403 16.482 8.742 1.00 0.00 H new ATOM 0 HG3 GLU A 25 2.223 16.536 7.447 1.00 0.00 H new ATOM 398 N GLU A 26 0.220 17.759 12.203 1.00 0.00 N ATOM 399 CA GLU A 26 -0.854 18.172 13.113 1.00 0.00 C ATOM 400 C GLU A 26 -0.355 19.239 14.092 1.00 0.00 C ATOM 401 O GLU A 26 -1.149 19.934 14.732 1.00 0.00 O ATOM 402 CB GLU A 26 -1.406 16.959 13.879 1.00 0.00 C ATOM 403 CG GLU A 26 -2.188 15.983 13.004 1.00 0.00 C ATOM 404 CD GLU A 26 -3.530 16.544 12.553 1.00 0.00 C ATOM 405 OE1 GLU A 26 -3.554 17.411 11.655 1.00 0.00 O ATOM 406 OE2 GLU A 26 -4.572 16.122 13.101 1.00 0.00 O ATOM 0 H GLU A 26 0.485 16.778 12.289 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.659 18.603 12.517 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.577 16.429 14.347 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.053 17.312 14.682 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -1.592 15.729 12.127 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -2.353 15.058 13.556 1.00 0.00 H new ATOM 413 N GLY A 27 0.962 19.378 14.177 1.00 0.00 N ATOM 414 CA GLY A 27 1.565 20.393 15.017 1.00 0.00 C ATOM 415 C GLY A 27 1.856 19.895 16.417 1.00 0.00 C ATOM 416 O GLY A 27 1.931 20.689 17.359 1.00 0.00 O ATOM 0 H GLY A 27 1.630 18.797 13.671 1.00 0.00 H new ATOM 0 HA2 GLY A 27 2.492 20.735 14.557 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.900 21.255 15.073 1.00 0.00 H new ATOM 420 N ASP A 28 2.022 18.581 16.553 1.00 0.00 N ATOM 421 CA ASP A 28 2.384 17.973 17.831 1.00 0.00 C ATOM 422 C ASP A 28 3.491 16.948 17.616 1.00 0.00 C ATOM 423 O ASP A 28 3.419 16.133 16.698 1.00 0.00 O ATOM 424 CB ASP A 28 1.161 17.311 18.488 1.00 0.00 C ATOM 425 CG ASP A 28 1.468 16.740 19.867 1.00 0.00 C ATOM 426 OD1 ASP A 28 1.892 17.508 20.757 1.00 0.00 O ATOM 427 OD2 ASP A 28 1.260 15.528 20.086 1.00 0.00 O ATOM 0 H ASP A 28 1.911 17.914 15.789 1.00 0.00 H new ATOM 0 HA ASP A 28 2.744 18.754 18.501 1.00 0.00 H new ATOM 0 HB2 ASP A 28 0.359 18.044 18.574 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.795 16.513 17.842 1.00 0.00 H new ATOM 432 N LEU A 29 4.532 17.018 18.439 1.00 0.00 N ATOM 433 CA LEU A 29 5.662 16.101 18.330 1.00 0.00 C ATOM 434 C LEU A 29 5.393 14.818 19.124 1.00 0.00 C ATOM 435 O LEU A 29 5.348 14.847 20.356 1.00 0.00 O ATOM 436 CB LEU A 29 6.959 16.771 18.826 1.00 0.00 C ATOM 437 CG LEU A 29 7.536 17.885 17.925 1.00 0.00 C ATOM 438 CD1 LEU A 29 7.800 17.361 16.516 1.00 0.00 C ATOM 439 CD2 LEU A 29 6.615 19.104 17.885 1.00 0.00 C ATOM 0 H LEU A 29 4.617 17.702 19.191 1.00 0.00 H new ATOM 0 HA LEU A 29 5.787 15.841 17.279 1.00 0.00 H new ATOM 0 HB2 LEU A 29 6.772 17.191 19.814 1.00 0.00 H new ATOM 0 HB3 LEU A 29 7.719 15.999 18.947 1.00 0.00 H new ATOM 0 HG LEU A 29 8.485 18.201 18.358 1.00 0.00 H new ATOM 0 HD11 LEU A 29 8.206 18.163 15.900 1.00 0.00 H new ATOM 0 HD12 LEU A 29 8.516 16.540 16.561 1.00 0.00 H new ATOM 0 HD13 LEU A 29 6.867 17.005 16.079 1.00 0.00 H new ATOM 0 HD21 LEU A 29 7.051 19.869 17.242 1.00 0.00 H new ATOM 0 HD22 LEU A 29 5.641 18.812 17.492 1.00 0.00 H new ATOM 0 HD23 LEU A 29 6.495 19.502 18.892 1.00 0.00 H new ATOM 451 N LEU A 62 -5.168 7.094 4.333 1.00 0.00 N ATOM 452 CA LEU A 62 -5.144 5.945 3.435 1.00 0.00 C ATOM 453 C LEU A 62 -3.763 5.293 3.415 1.00 0.00 C ATOM 454 O LEU A 62 -2.833 5.784 2.768 1.00 0.00 O ATOM 455 CB LEU A 62 -5.555 6.343 2.005 1.00 0.00 C ATOM 456 CG LEU A 62 -7.031 6.743 1.813 1.00 0.00 C ATOM 457 CD1 LEU A 62 -7.965 5.671 2.370 1.00 0.00 C ATOM 458 CD2 LEU A 62 -7.323 8.105 2.439 1.00 0.00 C ATOM 0 HA LEU A 62 -5.867 5.223 3.815 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.929 7.177 1.687 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -5.336 5.508 1.340 1.00 0.00 H new ATOM 0 HG LEU A 62 -7.215 6.826 0.742 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -9.000 5.978 2.222 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -7.788 4.729 1.851 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -7.774 5.540 3.435 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -8.372 8.358 2.286 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -7.110 8.067 3.507 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -6.695 8.863 1.971 1.00 0.00 H new ATOM 470 N MET A 63 -3.642 4.200 4.159 1.00 0.00 N ATOM 471 CA MET A 63 -2.474 3.329 4.108 1.00 0.00 C ATOM 472 C MET A 63 -2.961 1.888 3.985 1.00 0.00 C ATOM 473 O MET A 63 -3.560 1.338 4.914 1.00 0.00 O ATOM 474 CB MET A 63 -1.575 3.516 5.346 1.00 0.00 C ATOM 475 CG MET A 63 -2.306 3.405 6.680 1.00 0.00 C ATOM 476 SD MET A 63 -1.201 3.586 8.098 1.00 0.00 S ATOM 477 CE MET A 63 -0.173 2.128 7.916 1.00 0.00 C ATOM 0 H MET A 63 -4.356 3.891 4.819 1.00 0.00 H new ATOM 0 HA MET A 63 -1.861 3.586 3.244 1.00 0.00 H new ATOM 0 HB2 MET A 63 -0.780 2.771 5.318 1.00 0.00 H new ATOM 0 HB3 MET A 63 -1.097 4.494 5.288 1.00 0.00 H new ATOM 0 HG2 MET A 63 -3.082 4.169 6.729 1.00 0.00 H new ATOM 0 HG3 MET A 63 -2.807 2.438 6.736 1.00 0.00 H new ATOM 0 HE1 MET A 63 0.490 2.041 8.777 1.00 0.00 H new ATOM 0 HE2 MET A 63 -0.805 1.242 7.854 1.00 0.00 H new ATOM 0 HE3 MET A 63 0.422 2.213 7.007 1.00 0.00 H new ATOM 487 N MET A 64 -2.738 1.296 2.818 1.00 0.00 N ATOM 488 CA MET A 64 -3.339 0.012 2.473 1.00 0.00 C ATOM 489 C MET A 64 -2.287 -1.079 2.316 1.00 0.00 C ATOM 490 O MET A 64 -1.366 -0.954 1.503 1.00 0.00 O ATOM 491 CB MET A 64 -4.131 0.139 1.162 1.00 0.00 C ATOM 492 CG MET A 64 -5.200 1.226 1.176 1.00 0.00 C ATOM 493 SD MET A 64 -6.131 1.301 -0.371 1.00 0.00 S ATOM 494 CE MET A 64 -7.218 2.694 -0.068 1.00 0.00 C ATOM 0 H MET A 64 -2.141 1.687 2.089 1.00 0.00 H new ATOM 0 HA MET A 64 -4.005 -0.268 3.289 1.00 0.00 H new ATOM 0 HB2 MET A 64 -3.434 0.342 0.349 1.00 0.00 H new ATOM 0 HB3 MET A 64 -4.606 -0.818 0.944 1.00 0.00 H new ATOM 0 HG2 MET A 64 -5.888 1.044 2.002 1.00 0.00 H new ATOM 0 HG3 MET A 64 -4.729 2.192 1.360 1.00 0.00 H new ATOM 0 HE1 MET A 64 -8.111 2.600 -0.686 1.00 0.00 H new ATOM 0 HE2 MET A 64 -7.504 2.710 0.984 1.00 0.00 H new ATOM 0 HE3 MET A 64 -6.700 3.620 -0.317 1.00 0.00 H new ATOM 504 N PHE A 65 -2.425 -2.142 3.102 1.00 0.00 N ATOM 505 CA PHE A 65 -1.652 -3.362 2.898 1.00 0.00 C ATOM 506 C PHE A 65 -2.425 -4.248 1.925 1.00 0.00 C ATOM 507 O PHE A 65 -3.548 -4.657 2.226 1.00 0.00 O ATOM 508 CB PHE A 65 -1.440 -4.118 4.225 1.00 0.00 C ATOM 509 CG PHE A 65 -0.774 -3.323 5.328 1.00 0.00 C ATOM 510 CD1 PHE A 65 -0.216 -2.073 5.090 1.00 0.00 C ATOM 511 CD2 PHE A 65 -0.710 -3.840 6.616 1.00 0.00 C ATOM 512 CE1 PHE A 65 0.385 -1.360 6.111 1.00 0.00 C ATOM 513 CE2 PHE A 65 -0.109 -3.131 7.638 1.00 0.00 C ATOM 514 CZ PHE A 65 0.440 -1.889 7.385 1.00 0.00 C ATOM 0 H PHE A 65 -3.070 -2.183 3.891 1.00 0.00 H new ATOM 0 HA PHE A 65 -0.670 -3.106 2.501 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -2.409 -4.464 4.585 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -0.838 -5.005 4.026 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -0.252 -1.653 4.096 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -1.137 -4.811 6.821 1.00 0.00 H new ATOM 0 HE1 PHE A 65 0.812 -0.388 5.912 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -0.068 -3.547 8.634 1.00 0.00 H new ATOM 0 HZ PHE A 65 0.911 -1.333 8.182 1.00 0.00 H new ATOM 524 N VAL A 66 -1.847 -4.539 0.764 1.00 0.00 N ATOM 525 CA VAL A 66 -2.568 -5.265 -0.279 1.00 0.00 C ATOM 526 C VAL A 66 -1.941 -6.633 -0.524 1.00 0.00 C ATOM 527 O VAL A 66 -0.874 -6.734 -1.133 1.00 0.00 O ATOM 528 CB VAL A 66 -2.596 -4.464 -1.606 1.00 0.00 C ATOM 529 CG1 VAL A 66 -3.458 -5.171 -2.654 1.00 0.00 C ATOM 530 CG2 VAL A 66 -3.091 -3.038 -1.361 1.00 0.00 C ATOM 0 H VAL A 66 -0.889 -4.286 0.521 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.592 -5.399 0.071 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.579 -4.410 -1.994 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.461 -4.589 -3.575 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.050 -6.162 -2.852 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.478 -5.267 -2.282 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.104 -2.490 -2.303 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.098 -3.069 -0.945 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.424 -2.537 -0.659 1.00 0.00 H new ATOM 540 N THR A 67 -2.599 -7.680 -0.033 1.00 0.00 N ATOM 541 CA THR A 67 -2.149 -9.049 -0.267 1.00 0.00 C ATOM 542 C THR A 67 -2.691 -9.537 -1.605 1.00 0.00 C ATOM 543 O THR A 67 -3.905 -9.523 -1.840 1.00 0.00 O ATOM 544 CB THR A 67 -2.572 -10.005 0.885 1.00 0.00 C ATOM 545 OG1 THR A 67 -2.365 -11.377 0.515 1.00 0.00 O ATOM 546 CG2 THR A 67 -4.025 -9.796 1.285 1.00 0.00 C ATOM 0 H THR A 67 -3.446 -7.606 0.530 1.00 0.00 H new ATOM 0 HA THR A 67 -1.059 -9.052 -0.294 1.00 0.00 H new ATOM 0 HB THR A 67 -1.943 -9.768 1.743 1.00 0.00 H new ATOM 0 HG1 THR A 67 -1.523 -11.696 0.901 1.00 0.00 H new ATOM 0 HG21 THR A 67 -4.282 -10.482 2.092 1.00 0.00 H new ATOM 0 HG22 THR A 67 -4.165 -8.769 1.623 1.00 0.00 H new ATOM 0 HG23 THR A 67 -4.670 -9.987 0.427 1.00 0.00 H new ATOM 554 N VAL A 68 -1.785 -9.938 -2.493 1.00 0.00 N ATOM 555 CA VAL A 68 -2.163 -10.306 -3.852 1.00 0.00 C ATOM 556 C VAL A 68 -2.604 -11.765 -3.929 1.00 0.00 C ATOM 557 O VAL A 68 -3.747 -12.062 -4.277 1.00 0.00 O ATOM 558 CB VAL A 68 -0.995 -10.064 -4.840 1.00 0.00 C ATOM 559 CG1 VAL A 68 -1.404 -10.416 -6.271 1.00 0.00 C ATOM 560 CG2 VAL A 68 -0.509 -8.617 -4.750 1.00 0.00 C ATOM 0 H VAL A 68 -0.787 -10.016 -2.296 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.003 -9.671 -4.135 1.00 0.00 H new ATOM 0 HB VAL A 68 -0.171 -10.720 -4.560 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -0.565 -10.237 -6.944 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -1.690 -11.467 -6.320 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -2.249 -9.796 -6.571 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.312 -8.465 -5.451 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.328 -7.942 -4.998 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.164 -8.411 -3.737 1.00 0.00 H new ATOM 570 N SER A 69 -1.691 -12.669 -3.599 1.00 0.00 N ATOM 571 CA SER A 69 -1.955 -14.102 -3.695 1.00 0.00 C ATOM 572 C SER A 69 -2.473 -14.657 -2.368 1.00 0.00 C ATOM 573 O SER A 69 -3.347 -15.529 -2.338 1.00 0.00 O ATOM 574 CB SER A 69 -0.670 -14.830 -4.108 1.00 0.00 C ATOM 575 OG SER A 69 -0.890 -16.213 -4.322 1.00 0.00 O ATOM 0 H SER A 69 -0.757 -12.436 -3.261 1.00 0.00 H new ATOM 0 HA SER A 69 -2.726 -14.265 -4.448 1.00 0.00 H new ATOM 0 HB2 SER A 69 -0.275 -14.380 -5.019 1.00 0.00 H new ATOM 0 HB3 SER A 69 0.086 -14.698 -3.334 1.00 0.00 H new ATOM 0 HG SER A 69 -0.169 -16.577 -4.876 1.00 0.00 H new ATOM 581 N GLY A 70 -1.943 -14.126 -1.272 1.00 0.00 N ATOM 582 CA GLY A 70 -2.158 -14.721 0.033 1.00 0.00 C ATOM 583 C GLY A 70 -1.119 -15.792 0.304 1.00 0.00 C ATOM 584 O GLY A 70 -1.192 -16.520 1.302 1.00 0.00 O ATOM 0 H GLY A 70 -1.363 -13.287 -1.265 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -2.106 -13.952 0.803 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -3.157 -15.154 0.082 1.00 0.00 H new ATOM 588 N ASN A 71 -0.146 -15.866 -0.605 1.00 0.00 N ATOM 589 CA ASN A 71 0.910 -16.872 -0.575 1.00 0.00 C ATOM 590 C ASN A 71 2.283 -16.187 -0.637 1.00 0.00 C ATOM 591 O ASN A 71 2.458 -15.219 -1.374 1.00 0.00 O ATOM 592 CB ASN A 71 0.733 -17.850 -1.751 1.00 0.00 C ATOM 593 CG ASN A 71 1.864 -18.861 -1.868 1.00 0.00 C ATOM 594 OD1 ASN A 71 1.837 -19.924 -1.243 1.00 0.00 O ATOM 595 ND2 ASN A 71 2.858 -18.541 -2.681 1.00 0.00 N ATOM 0 H ASN A 71 -0.070 -15.220 -1.391 1.00 0.00 H new ATOM 0 HA ASN A 71 0.848 -17.437 0.355 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -0.211 -18.383 -1.633 1.00 0.00 H new ATOM 0 HB3 ASN A 71 0.664 -17.283 -2.679 1.00 0.00 H new ATOM 0 HD21 ASN A 71 3.640 -19.184 -2.809 1.00 0.00 H new ATOM 0 HD22 ASN A 71 2.843 -17.651 -3.180 1.00 0.00 H new ATOM 602 N PRO A 72 3.265 -16.691 0.141 1.00 0.00 N ATOM 603 CA PRO A 72 4.612 -16.095 0.287 1.00 0.00 C ATOM 604 C PRO A 72 5.336 -15.694 -1.018 1.00 0.00 C ATOM 605 O PRO A 72 6.322 -14.953 -0.953 1.00 0.00 O ATOM 606 CB PRO A 72 5.422 -17.187 1.025 1.00 0.00 C ATOM 607 CG PRO A 72 4.552 -18.400 1.024 1.00 0.00 C ATOM 608 CD PRO A 72 3.142 -17.890 0.986 1.00 0.00 C ATOM 0 HA PRO A 72 4.520 -15.143 0.810 1.00 0.00 H new ATOM 0 HB2 PRO A 72 6.368 -17.382 0.520 1.00 0.00 H new ATOM 0 HB3 PRO A 72 5.662 -16.877 2.042 1.00 0.00 H new ATOM 0 HG2 PRO A 72 4.763 -19.032 0.161 1.00 0.00 H new ATOM 0 HG3 PRO A 72 4.725 -19.006 1.913 1.00 0.00 H new ATOM 0 HD2 PRO A 72 2.457 -18.621 0.557 1.00 0.00 H new ATOM 0 HD3 PRO A 72 2.770 -17.649 1.982 1.00 0.00 H new ATOM 616 N THR A 73 4.902 -16.178 -2.188 1.00 0.00 N ATOM 617 CA THR A 73 5.691 -16.000 -3.396 1.00 0.00 C ATOM 618 C THR A 73 5.557 -14.569 -3.930 1.00 0.00 C ATOM 619 O THR A 73 4.619 -13.849 -3.592 1.00 0.00 O ATOM 620 CB THR A 73 5.315 -17.051 -4.468 1.00 0.00 C ATOM 621 OG1 THR A 73 3.900 -17.224 -4.514 1.00 0.00 O ATOM 622 CG2 THR A 73 5.984 -18.392 -4.182 1.00 0.00 C ATOM 0 H THR A 73 4.026 -16.685 -2.316 1.00 0.00 H new ATOM 0 HA THR A 73 6.740 -16.158 -3.144 1.00 0.00 H new ATOM 0 HB THR A 73 5.668 -16.686 -5.432 1.00 0.00 H new ATOM 0 HG1 THR A 73 3.674 -17.890 -5.196 1.00 0.00 H new ATOM 0 HG21 THR A 73 5.702 -19.111 -4.951 1.00 0.00 H new ATOM 0 HG22 THR A 73 7.067 -18.266 -4.183 1.00 0.00 H new ATOM 0 HG23 THR A 73 5.662 -18.759 -3.207 1.00 0.00 H new ATOM 630 N GLU A 74 6.515 -14.172 -4.759 1.00 0.00 N ATOM 631 CA GLU A 74 6.687 -12.768 -5.131 1.00 0.00 C ATOM 632 C GLU A 74 6.172 -12.492 -6.541 1.00 0.00 C ATOM 633 O GLU A 74 5.778 -11.370 -6.860 1.00 0.00 O ATOM 634 CB GLU A 74 8.168 -12.395 -5.021 1.00 0.00 C ATOM 635 CG GLU A 74 8.451 -10.907 -5.183 1.00 0.00 C ATOM 636 CD GLU A 74 9.915 -10.571 -4.960 1.00 0.00 C ATOM 637 OE1 GLU A 74 10.770 -11.106 -5.696 1.00 0.00 O ATOM 638 OE2 GLU A 74 10.218 -9.773 -4.049 1.00 0.00 O ATOM 0 H GLU A 74 7.189 -14.805 -5.190 1.00 0.00 H new ATOM 0 HA GLU A 74 6.101 -12.155 -4.447 1.00 0.00 H new ATOM 0 HB2 GLU A 74 8.542 -12.721 -4.050 1.00 0.00 H new ATOM 0 HB3 GLU A 74 8.727 -12.944 -5.779 1.00 0.00 H new ATOM 0 HG2 GLU A 74 8.156 -10.590 -6.183 1.00 0.00 H new ATOM 0 HG3 GLU A 74 7.840 -10.344 -4.477 1.00 0.00 H new ATOM 645 N LYS A 75 6.162 -13.537 -7.360 1.00 0.00 N ATOM 646 CA LYS A 75 5.881 -13.424 -8.796 1.00 0.00 C ATOM 647 C LYS A 75 4.571 -12.674 -9.032 1.00 0.00 C ATOM 648 O LYS A 75 4.520 -11.687 -9.784 1.00 0.00 O ATOM 649 CB LYS A 75 5.812 -14.823 -9.442 1.00 0.00 C ATOM 650 CG LYS A 75 7.126 -15.614 -9.401 1.00 0.00 C ATOM 651 CD LYS A 75 7.504 -16.074 -7.988 1.00 0.00 C ATOM 652 CE LYS A 75 8.870 -16.760 -7.960 1.00 0.00 C ATOM 653 NZ LYS A 75 9.958 -15.861 -8.433 1.00 0.00 N ATOM 0 H LYS A 75 6.348 -14.491 -7.051 1.00 0.00 H new ATOM 0 HA LYS A 75 6.692 -12.861 -9.258 1.00 0.00 H new ATOM 0 HB2 LYS A 75 5.039 -15.403 -8.938 1.00 0.00 H new ATOM 0 HB3 LYS A 75 5.502 -14.713 -10.481 1.00 0.00 H new ATOM 0 HG2 LYS A 75 7.040 -16.485 -10.050 1.00 0.00 H new ATOM 0 HG3 LYS A 75 7.929 -14.996 -9.803 1.00 0.00 H new ATOM 0 HD2 LYS A 75 7.515 -15.215 -7.317 1.00 0.00 H new ATOM 0 HD3 LYS A 75 6.745 -16.761 -7.614 1.00 0.00 H new ATOM 0 HE2 LYS A 75 9.089 -17.090 -6.944 1.00 0.00 H new ATOM 0 HE3 LYS A 75 8.840 -17.652 -8.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 10.879 -16.252 -8.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 9.918 -15.783 -9.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 9.838 -14.918 -8.011 1.00 0.00 H new ATOM 667 N GLU A 76 3.535 -13.163 -8.365 1.00 0.00 N ATOM 668 CA GLU A 76 2.209 -12.556 -8.361 1.00 0.00 C ATOM 669 C GLU A 76 2.292 -11.041 -8.157 1.00 0.00 C ATOM 670 O GLU A 76 1.856 -10.255 -9.010 1.00 0.00 O ATOM 671 CB GLU A 76 1.339 -13.195 -7.248 1.00 0.00 C ATOM 672 CG GLU A 76 2.120 -13.726 -6.046 1.00 0.00 C ATOM 673 CD GLU A 76 2.550 -15.174 -6.235 1.00 0.00 C ATOM 674 OE1 GLU A 76 1.736 -16.083 -5.961 1.00 0.00 O ATOM 675 OE2 GLU A 76 3.695 -15.417 -6.673 1.00 0.00 O ATOM 0 H GLU A 76 3.593 -14.010 -7.800 1.00 0.00 H new ATOM 0 HA GLU A 76 1.749 -12.740 -9.332 1.00 0.00 H new ATOM 0 HB2 GLU A 76 0.621 -12.454 -6.898 1.00 0.00 H new ATOM 0 HB3 GLU A 76 0.765 -14.014 -7.681 1.00 0.00 H new ATOM 0 HG2 GLU A 76 3.001 -13.105 -5.884 1.00 0.00 H new ATOM 0 HG3 GLU A 76 1.504 -13.645 -5.150 1.00 0.00 H new ATOM 682 N THR A 77 2.881 -10.647 -7.037 1.00 0.00 N ATOM 683 CA THR A 77 2.936 -9.252 -6.638 1.00 0.00 C ATOM 684 C THR A 77 3.811 -8.424 -7.581 1.00 0.00 C ATOM 685 O THR A 77 3.495 -7.269 -7.861 1.00 0.00 O ATOM 686 CB THR A 77 3.437 -9.133 -5.186 1.00 0.00 C ATOM 687 OG1 THR A 77 2.618 -9.960 -4.349 1.00 0.00 O ATOM 688 CG2 THR A 77 3.388 -7.691 -4.686 1.00 0.00 C ATOM 0 H THR A 77 3.333 -11.285 -6.382 1.00 0.00 H new ATOM 0 HA THR A 77 1.925 -8.849 -6.698 1.00 0.00 H new ATOM 0 HB THR A 77 4.477 -9.458 -5.151 1.00 0.00 H new ATOM 0 HG1 THR A 77 3.163 -10.336 -3.627 1.00 0.00 H new ATOM 0 HG21 THR A 77 3.749 -7.650 -3.658 1.00 0.00 H new ATOM 0 HG22 THR A 77 4.018 -7.065 -5.318 1.00 0.00 H new ATOM 0 HG23 THR A 77 2.361 -7.327 -4.724 1.00 0.00 H new ATOM 696 N GLU A 78 4.899 -9.014 -8.083 1.00 0.00 N ATOM 697 CA GLU A 78 5.758 -8.331 -9.049 1.00 0.00 C ATOM 698 C GLU A 78 4.942 -7.888 -10.251 1.00 0.00 C ATOM 699 O GLU A 78 4.840 -6.694 -10.550 1.00 0.00 O ATOM 700 CB GLU A 78 6.896 -9.236 -9.537 1.00 0.00 C ATOM 701 CG GLU A 78 7.908 -9.624 -8.472 1.00 0.00 C ATOM 702 CD GLU A 78 9.063 -10.424 -9.050 1.00 0.00 C ATOM 703 OE1 GLU A 78 8.888 -11.639 -9.298 1.00 0.00 O ATOM 704 OE2 GLU A 78 10.145 -9.839 -9.278 1.00 0.00 O ATOM 0 H GLU A 78 5.203 -9.956 -7.838 1.00 0.00 H new ATOM 0 HA GLU A 78 6.190 -7.468 -8.543 1.00 0.00 H new ATOM 0 HB2 GLU A 78 6.464 -10.145 -9.955 1.00 0.00 H new ATOM 0 HB3 GLU A 78 7.420 -8.730 -10.348 1.00 0.00 H new ATOM 0 HG2 GLU A 78 8.294 -8.724 -7.993 1.00 0.00 H new ATOM 0 HG3 GLU A 78 7.413 -10.210 -7.697 1.00 0.00 H new ATOM 711 N GLU A 79 4.342 -8.864 -10.922 1.00 0.00 N ATOM 712 CA GLU A 79 3.601 -8.612 -12.149 1.00 0.00 C ATOM 713 C GLU A 79 2.460 -7.624 -11.904 1.00 0.00 C ATOM 714 O GLU A 79 2.374 -6.581 -12.563 1.00 0.00 O ATOM 715 CB GLU A 79 3.059 -9.928 -12.723 1.00 0.00 C ATOM 716 CG GLU A 79 4.155 -10.915 -13.123 1.00 0.00 C ATOM 717 CD GLU A 79 3.609 -12.186 -13.757 1.00 0.00 C ATOM 718 OE1 GLU A 79 3.176 -12.131 -14.933 1.00 0.00 O ATOM 719 OE2 GLU A 79 3.613 -13.242 -13.096 1.00 0.00 O ATOM 0 H GLU A 79 4.355 -9.842 -10.634 1.00 0.00 H new ATOM 0 HA GLU A 79 4.282 -8.168 -12.875 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.410 -10.398 -11.984 1.00 0.00 H new ATOM 0 HB3 GLU A 79 2.443 -9.709 -13.595 1.00 0.00 H new ATOM 0 HG2 GLU A 79 4.835 -10.430 -13.823 1.00 0.00 H new ATOM 0 HG3 GLU A 79 4.739 -11.178 -12.241 1.00 0.00 H new ATOM 726 N ILE A 80 1.612 -7.934 -10.929 1.00 0.00 N ATOM 727 CA ILE A 80 0.418 -7.134 -10.692 1.00 0.00 C ATOM 728 C ILE A 80 0.790 -5.693 -10.304 1.00 0.00 C ATOM 729 O ILE A 80 0.185 -4.740 -10.798 1.00 0.00 O ATOM 730 CB ILE A 80 -0.499 -7.781 -9.617 1.00 0.00 C ATOM 731 CG1 ILE A 80 -1.908 -7.177 -9.683 1.00 0.00 C ATOM 732 CG2 ILE A 80 0.089 -7.623 -8.216 1.00 0.00 C ATOM 733 CD1 ILE A 80 -2.599 -7.383 -11.016 1.00 0.00 C ATOM 0 H ILE A 80 1.728 -8.726 -10.296 1.00 0.00 H new ATOM 0 HA ILE A 80 -0.145 -7.100 -11.625 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.565 -8.848 -9.830 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -2.519 -7.617 -8.895 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -1.845 -6.108 -9.478 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -0.577 -8.086 -7.488 1.00 0.00 H new ATOM 0 HG22 ILE A 80 1.065 -8.106 -8.174 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.199 -6.563 -7.985 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.590 -6.929 -10.986 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -2.010 -6.918 -11.807 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.695 -8.450 -11.215 1.00 0.00 H new ATOM 745 N THR A 81 1.796 -5.542 -9.440 1.00 0.00 N ATOM 746 CA THR A 81 2.284 -4.219 -9.051 1.00 0.00 C ATOM 747 C THR A 81 2.881 -3.477 -10.252 1.00 0.00 C ATOM 748 O THR A 81 2.776 -2.253 -10.345 1.00 0.00 O ATOM 749 CB THR A 81 3.328 -4.306 -7.907 1.00 0.00 C ATOM 750 OG1 THR A 81 2.736 -4.933 -6.759 1.00 0.00 O ATOM 751 CG2 THR A 81 3.852 -2.925 -7.515 1.00 0.00 C ATOM 0 H THR A 81 2.287 -6.319 -8.998 1.00 0.00 H new ATOM 0 HA THR A 81 1.425 -3.658 -8.683 1.00 0.00 H new ATOM 0 HB THR A 81 4.169 -4.898 -8.268 1.00 0.00 H new ATOM 0 HG1 THR A 81 2.822 -5.906 -6.837 1.00 0.00 H new ATOM 0 HG21 THR A 81 4.581 -3.027 -6.711 1.00 0.00 H new ATOM 0 HG22 THR A 81 4.327 -2.458 -8.378 1.00 0.00 H new ATOM 0 HG23 THR A 81 3.023 -2.304 -7.176 1.00 0.00 H new ATOM 759 N SER A 82 3.494 -4.217 -11.177 1.00 0.00 N ATOM 760 CA SER A 82 4.026 -3.621 -12.402 1.00 0.00 C ATOM 761 C SER A 82 2.892 -3.018 -13.235 1.00 0.00 C ATOM 762 O SER A 82 3.044 -1.946 -13.831 1.00 0.00 O ATOM 763 CB SER A 82 4.802 -4.656 -13.225 1.00 0.00 C ATOM 764 OG SER A 82 5.926 -5.136 -12.505 1.00 0.00 O ATOM 0 H SER A 82 3.634 -5.225 -11.102 1.00 0.00 H new ATOM 0 HA SER A 82 4.717 -2.826 -12.121 1.00 0.00 H new ATOM 0 HB2 SER A 82 4.147 -5.488 -13.481 1.00 0.00 H new ATOM 0 HB3 SER A 82 5.130 -4.209 -14.163 1.00 0.00 H new ATOM 0 HG SER A 82 5.623 -5.712 -11.772 1.00 0.00 H new ATOM 770 N LEU A 83 1.754 -3.712 -13.271 1.00 0.00 N ATOM 771 CA LEU A 83 0.560 -3.188 -13.938 1.00 0.00 C ATOM 772 C LEU A 83 0.011 -1.976 -13.182 1.00 0.00 C ATOM 773 O LEU A 83 -0.271 -0.930 -13.779 1.00 0.00 O ATOM 774 CB LEU A 83 -0.528 -4.274 -14.061 1.00 0.00 C ATOM 775 CG LEU A 83 -0.361 -5.264 -15.235 1.00 0.00 C ATOM 776 CD1 LEU A 83 0.974 -5.997 -15.161 1.00 0.00 C ATOM 777 CD2 LEU A 83 -1.524 -6.257 -15.267 1.00 0.00 C ATOM 0 H LEU A 83 1.633 -4.633 -12.849 1.00 0.00 H new ATOM 0 HA LEU A 83 0.848 -2.876 -14.942 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -0.553 -4.843 -13.132 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.496 -3.782 -14.160 1.00 0.00 H new ATOM 0 HG LEU A 83 -0.369 -4.689 -16.161 1.00 0.00 H new ATOM 0 HD11 LEU A 83 1.058 -6.685 -16.002 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.789 -5.274 -15.201 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.031 -6.556 -14.227 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -1.390 -6.947 -16.100 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -1.550 -6.817 -14.332 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -2.462 -5.715 -15.391 1.00 0.00 H new ATOM 789 N TRP A 84 -0.125 -2.122 -11.863 1.00 0.00 N ATOM 790 CA TRP A 84 -0.648 -1.053 -11.011 1.00 0.00 C ATOM 791 C TRP A 84 0.168 0.225 -11.176 1.00 0.00 C ATOM 792 O TRP A 84 -0.376 1.273 -11.510 1.00 0.00 O ATOM 793 CB TRP A 84 -0.667 -1.491 -9.539 1.00 0.00 C ATOM 794 CG TRP A 84 -1.709 -2.528 -9.240 1.00 0.00 C ATOM 795 CD1 TRP A 84 -2.826 -2.798 -9.977 1.00 0.00 C ATOM 796 CD2 TRP A 84 -1.747 -3.420 -8.119 1.00 0.00 C ATOM 797 NE1 TRP A 84 -3.551 -3.797 -9.387 1.00 0.00 N ATOM 798 CE2 TRP A 84 -2.912 -4.196 -8.246 1.00 0.00 C ATOM 799 CE3 TRP A 84 -0.910 -3.636 -7.020 1.00 0.00 C ATOM 800 CZ2 TRP A 84 -3.262 -5.174 -7.319 1.00 0.00 C ATOM 801 CZ3 TRP A 84 -1.258 -4.608 -6.100 1.00 0.00 C ATOM 802 CH2 TRP A 84 -2.427 -5.366 -6.256 1.00 0.00 C ATOM 0 H TRP A 84 0.121 -2.974 -11.360 1.00 0.00 H new ATOM 0 HA TRP A 84 -1.672 -0.846 -11.323 1.00 0.00 H new ATOM 0 HB2 TRP A 84 0.314 -1.884 -9.272 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -0.842 -0.618 -8.910 1.00 0.00 H new ATOM 0 HD1 TRP A 84 -3.098 -2.296 -10.893 1.00 0.00 H new ATOM 0 HE1 TRP A 84 -4.427 -4.182 -9.741 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -0.009 -3.055 -6.892 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 -4.162 -5.760 -7.437 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -0.619 -4.786 -5.248 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -2.672 -6.117 -5.520 1.00 0.00 H new ATOM 813 N GLN A 85 1.473 0.122 -10.954 1.00 0.00 N ATOM 814 CA GLN A 85 2.378 1.249 -11.142 1.00 0.00 C ATOM 815 C GLN A 85 2.270 1.764 -12.576 1.00 0.00 C ATOM 816 O GLN A 85 2.013 2.948 -12.806 1.00 0.00 O ATOM 817 CB GLN A 85 3.821 0.827 -10.827 1.00 0.00 C ATOM 818 CG GLN A 85 4.858 1.915 -11.078 1.00 0.00 C ATOM 819 CD GLN A 85 6.254 1.494 -10.660 1.00 0.00 C ATOM 820 OE1 GLN A 85 6.665 1.710 -9.519 1.00 0.00 O ATOM 821 NE2 GLN A 85 6.988 0.876 -11.572 1.00 0.00 N ATOM 0 H GLN A 85 1.930 -0.735 -10.642 1.00 0.00 H new ATOM 0 HA GLN A 85 2.098 2.051 -10.459 1.00 0.00 H new ATOM 0 HB2 GLN A 85 3.878 0.520 -9.783 1.00 0.00 H new ATOM 0 HB3 GLN A 85 4.073 -0.045 -11.430 1.00 0.00 H new ATOM 0 HG2 GLN A 85 4.861 2.172 -12.137 1.00 0.00 H new ATOM 0 HG3 GLN A 85 4.575 2.815 -10.533 1.00 0.00 H new ATOM 0 HE21 GLN A 85 6.612 0.716 -12.506 1.00 0.00 H new ATOM 0 HE22 GLN A 85 7.930 0.560 -11.340 1.00 0.00 H new ATOM 830 N GLY A 86 2.468 0.850 -13.526 1.00 0.00 N ATOM 831 CA GLY A 86 2.330 1.162 -14.942 1.00 0.00 C ATOM 832 C GLY A 86 1.074 1.942 -15.290 1.00 0.00 C ATOM 833 O GLY A 86 1.068 2.694 -16.264 1.00 0.00 O ATOM 0 H GLY A 86 2.726 -0.118 -13.335 1.00 0.00 H new ATOM 0 HA2 GLY A 86 3.200 1.735 -15.262 1.00 0.00 H new ATOM 0 HA3 GLY A 86 2.335 0.231 -15.509 1.00 0.00 H new ATOM 837 N SER A 87 0.005 1.761 -14.520 1.00 0.00 N ATOM 838 CA SER A 87 -1.241 2.486 -14.761 1.00 0.00 C ATOM 839 C SER A 87 -1.291 3.793 -13.954 1.00 0.00 C ATOM 840 O SER A 87 -1.420 4.878 -14.524 1.00 0.00 O ATOM 841 CB SER A 87 -2.434 1.596 -14.407 1.00 0.00 C ATOM 842 OG SER A 87 -2.349 0.346 -15.075 1.00 0.00 O ATOM 0 H SER A 87 -0.025 1.121 -13.726 1.00 0.00 H new ATOM 0 HA SER A 87 -1.287 2.747 -15.818 1.00 0.00 H new ATOM 0 HB2 SER A 87 -2.466 1.436 -13.329 1.00 0.00 H new ATOM 0 HB3 SER A 87 -3.362 2.098 -14.682 1.00 0.00 H new ATOM 0 HG SER A 87 -1.627 -0.187 -14.681 1.00 0.00 H new ATOM 848 N LEU A 88 -1.156 3.676 -12.634 1.00 0.00 N ATOM 849 CA LEU A 88 -1.295 4.812 -11.721 1.00 0.00 C ATOM 850 C LEU A 88 -0.307 5.931 -12.057 1.00 0.00 C ATOM 851 O LEU A 88 -0.688 7.099 -12.165 1.00 0.00 O ATOM 852 CB LEU A 88 -1.092 4.353 -10.267 1.00 0.00 C ATOM 853 CG LEU A 88 -2.108 3.319 -9.752 1.00 0.00 C ATOM 854 CD1 LEU A 88 -1.747 2.856 -8.342 1.00 0.00 C ATOM 855 CD2 LEU A 88 -3.527 3.889 -9.785 1.00 0.00 C ATOM 0 H LEU A 88 -0.948 2.793 -12.167 1.00 0.00 H new ATOM 0 HA LEU A 88 -2.303 5.208 -11.839 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.091 3.931 -10.174 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.131 5.229 -9.619 1.00 0.00 H new ATOM 0 HG LEU A 88 -2.072 2.453 -10.414 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.480 2.125 -8.000 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.757 2.400 -8.351 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.746 3.712 -7.667 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -4.228 3.140 -9.417 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -3.578 4.776 -9.153 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -3.788 4.157 -10.809 1.00 0.00 H new ATOM 867 N PHE A 89 0.958 5.568 -12.235 1.00 0.00 N ATOM 868 CA PHE A 89 2.004 6.550 -12.516 1.00 0.00 C ATOM 869 C PHE A 89 1.904 7.059 -13.950 1.00 0.00 C ATOM 870 O PHE A 89 2.373 8.153 -14.260 1.00 0.00 O ATOM 871 CB PHE A 89 3.392 5.956 -12.237 1.00 0.00 C ATOM 872 CG PHE A 89 3.687 5.816 -10.763 1.00 0.00 C ATOM 873 CD1 PHE A 89 3.077 4.825 -10.008 1.00 0.00 C ATOM 874 CD2 PHE A 89 4.565 6.686 -10.130 1.00 0.00 C ATOM 875 CE1 PHE A 89 3.337 4.706 -8.658 1.00 0.00 C ATOM 876 CE2 PHE A 89 4.828 6.569 -8.780 1.00 0.00 C ATOM 877 CZ PHE A 89 4.212 5.577 -8.043 1.00 0.00 C ATOM 0 H PHE A 89 1.286 4.603 -12.190 1.00 0.00 H new ATOM 0 HA PHE A 89 1.860 7.401 -11.851 1.00 0.00 H new ATOM 0 HB2 PHE A 89 3.465 4.977 -12.711 1.00 0.00 H new ATOM 0 HB3 PHE A 89 4.151 6.589 -12.696 1.00 0.00 H new ATOM 0 HD1 PHE A 89 2.391 4.139 -10.482 1.00 0.00 H new ATOM 0 HD2 PHE A 89 5.048 7.464 -10.702 1.00 0.00 H new ATOM 0 HE1 PHE A 89 2.855 3.930 -8.082 1.00 0.00 H new ATOM 0 HE2 PHE A 89 5.514 7.252 -8.301 1.00 0.00 H new ATOM 0 HZ PHE A 89 4.415 5.483 -6.986 1.00 0.00 H new ATOM 887 N ASN A 90 1.272 6.274 -14.817 1.00 0.00 N ATOM 888 CA ASN A 90 1.008 6.704 -16.190 1.00 0.00 C ATOM 889 C ASN A 90 -0.112 7.741 -16.189 1.00 0.00 C ATOM 890 O ASN A 90 -0.165 8.629 -17.043 1.00 0.00 O ATOM 891 CB ASN A 90 0.637 5.498 -17.064 1.00 0.00 C ATOM 892 CG ASN A 90 0.430 5.852 -18.527 1.00 0.00 C ATOM 893 OD1 ASN A 90 0.993 6.823 -19.033 1.00 0.00 O ATOM 894 ND2 ASN A 90 -0.354 5.044 -19.224 1.00 0.00 N ATOM 0 H ASN A 90 0.933 5.338 -14.596 1.00 0.00 H new ATOM 0 HA ASN A 90 1.907 7.157 -16.608 1.00 0.00 H new ATOM 0 HB2 ASN A 90 1.424 4.748 -16.988 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -0.275 5.044 -16.675 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -0.509 5.216 -20.217 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -0.803 4.250 -18.768 1.00 0.00 H new ATOM 901 N ALA A 91 -1.003 7.622 -15.202 1.00 0.00 N ATOM 902 CA ALA A 91 -2.051 8.614 -14.970 1.00 0.00 C ATOM 903 C ALA A 91 -1.513 9.756 -14.104 1.00 0.00 C ATOM 904 O ALA A 91 -2.234 10.700 -13.773 1.00 0.00 O ATOM 905 CB ALA A 91 -3.263 7.959 -14.316 1.00 0.00 C ATOM 0 H ALA A 91 -1.017 6.841 -14.546 1.00 0.00 H new ATOM 0 HA ALA A 91 -2.365 9.029 -15.928 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -4.036 8.709 -14.149 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -3.651 7.177 -14.969 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -2.969 7.522 -13.362 1.00 0.00 H new ATOM 911 N ASN A 92 -0.230 9.646 -13.742 1.00 0.00 N ATOM 912 CA ASN A 92 0.490 10.690 -13.005 1.00 0.00 C ATOM 913 C ASN A 92 -0.056 10.879 -11.591 1.00 0.00 C ATOM 914 O ASN A 92 -0.101 11.998 -11.076 1.00 0.00 O ATOM 915 CB ASN A 92 0.464 12.018 -13.784 1.00 0.00 C ATOM 916 CG ASN A 92 1.275 11.959 -15.070 1.00 0.00 C ATOM 917 OD1 ASN A 92 2.458 12.302 -15.089 1.00 0.00 O ATOM 918 ND2 ASN A 92 0.650 11.516 -16.148 1.00 0.00 N ATOM 0 H ASN A 92 0.340 8.827 -13.953 1.00 0.00 H new ATOM 0 HA ASN A 92 1.525 10.362 -12.906 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -0.568 12.275 -14.021 1.00 0.00 H new ATOM 0 HB3 ASN A 92 0.853 12.814 -13.150 1.00 0.00 H new ATOM 0 HD21 ASN A 92 1.149 11.449 -17.035 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -0.331 11.241 -16.092 1.00 0.00 H new ATOM 925 N TYR A 93 -0.458 9.780 -10.955 1.00 0.00 N ATOM 926 CA TYR A 93 -0.834 9.810 -9.543 1.00 0.00 C ATOM 927 C TYR A 93 0.426 9.748 -8.676 1.00 0.00 C ATOM 928 O TYR A 93 1.189 8.784 -8.755 1.00 0.00 O ATOM 929 CB TYR A 93 -1.764 8.639 -9.184 1.00 0.00 C ATOM 930 CG TYR A 93 -3.117 8.665 -9.877 1.00 0.00 C ATOM 931 CD1 TYR A 93 -3.920 9.802 -9.849 1.00 0.00 C ATOM 932 CD2 TYR A 93 -3.596 7.545 -10.549 1.00 0.00 C ATOM 933 CE1 TYR A 93 -5.155 9.820 -10.469 1.00 0.00 C ATOM 934 CE2 TYR A 93 -4.831 7.556 -11.168 1.00 0.00 C ATOM 935 CZ TYR A 93 -5.606 8.693 -11.128 1.00 0.00 C ATOM 936 OH TYR A 93 -6.841 8.701 -11.743 1.00 0.00 O ATOM 0 H TYR A 93 -0.532 8.862 -11.393 1.00 0.00 H new ATOM 0 HA TYR A 93 -1.372 10.739 -9.355 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -1.261 7.704 -9.433 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -1.924 8.637 -8.106 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -3.572 10.685 -9.334 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -2.992 6.651 -10.587 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -5.765 10.711 -10.438 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -5.187 6.675 -11.682 1.00 0.00 H new ATOM 0 HH TYR A 93 -7.004 7.830 -12.161 1.00 0.00 H new ATOM 946 N ASP A 94 0.645 10.774 -7.856 1.00 0.00 N ATOM 947 CA ASP A 94 1.823 10.824 -6.982 1.00 0.00 C ATOM 948 C ASP A 94 1.576 10.067 -5.678 1.00 0.00 C ATOM 949 O ASP A 94 1.824 10.580 -4.583 1.00 0.00 O ATOM 950 CB ASP A 94 2.236 12.276 -6.688 1.00 0.00 C ATOM 951 CG ASP A 94 2.995 12.910 -7.843 1.00 0.00 C ATOM 952 OD1 ASP A 94 4.207 12.628 -7.991 1.00 0.00 O ATOM 953 OD2 ASP A 94 2.390 13.697 -8.605 1.00 0.00 O ATOM 0 H ASP A 94 0.026 11.581 -7.776 1.00 0.00 H new ATOM 0 HA ASP A 94 2.642 10.336 -7.511 1.00 0.00 H new ATOM 0 HB2 ASP A 94 1.346 12.867 -6.474 1.00 0.00 H new ATOM 0 HB3 ASP A 94 2.857 12.300 -5.793 1.00 0.00 H new ATOM 958 N VAL A 95 1.090 8.838 -5.806 1.00 0.00 N ATOM 959 CA VAL A 95 0.912 7.953 -4.661 1.00 0.00 C ATOM 960 C VAL A 95 2.201 7.177 -4.422 1.00 0.00 C ATOM 961 O VAL A 95 2.952 6.917 -5.364 1.00 0.00 O ATOM 962 CB VAL A 95 -0.259 6.961 -4.885 1.00 0.00 C ATOM 963 CG1 VAL A 95 -1.569 7.717 -5.083 1.00 0.00 C ATOM 964 CG2 VAL A 95 0.018 6.038 -6.076 1.00 0.00 C ATOM 0 H VAL A 95 0.810 8.430 -6.698 1.00 0.00 H new ATOM 0 HA VAL A 95 0.672 8.563 -3.791 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.349 6.339 -3.994 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.380 7.005 -5.239 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.779 8.319 -4.199 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -1.485 8.368 -5.953 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.820 5.354 -6.209 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.144 6.636 -6.978 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.927 5.466 -5.890 1.00 0.00 H new ATOM 974 N GLN A 96 2.473 6.814 -3.176 1.00 0.00 N ATOM 975 CA GLN A 96 3.698 6.092 -2.868 1.00 0.00 C ATOM 976 C GLN A 96 3.382 4.616 -2.670 1.00 0.00 C ATOM 977 O GLN A 96 2.310 4.262 -2.176 1.00 0.00 O ATOM 978 CB GLN A 96 4.385 6.695 -1.633 1.00 0.00 C ATOM 979 CG GLN A 96 5.752 6.090 -1.295 1.00 0.00 C ATOM 980 CD GLN A 96 6.810 6.302 -2.379 1.00 0.00 C ATOM 981 OE1 GLN A 96 6.510 6.337 -3.570 1.00 0.00 O ATOM 982 NE2 GLN A 96 8.063 6.450 -1.966 1.00 0.00 N ATOM 0 H GLN A 96 1.872 7.004 -2.374 1.00 0.00 H new ATOM 0 HA GLN A 96 4.394 6.185 -3.702 1.00 0.00 H new ATOM 0 HB2 GLN A 96 4.507 7.767 -1.790 1.00 0.00 H new ATOM 0 HB3 GLN A 96 3.727 6.572 -0.773 1.00 0.00 H new ATOM 0 HG2 GLN A 96 6.110 6.525 -0.362 1.00 0.00 H new ATOM 0 HG3 GLN A 96 5.632 5.020 -1.123 1.00 0.00 H new ATOM 0 HE21 GLN A 96 8.279 6.416 -0.970 1.00 0.00 H new ATOM 0 HE22 GLN A 96 8.810 6.598 -2.645 1.00 0.00 H new ATOM 991 N ARG A 97 4.305 3.758 -3.086 1.00 0.00 N ATOM 992 CA ARG A 97 4.101 2.318 -3.012 1.00 0.00 C ATOM 993 C ARG A 97 5.424 1.614 -2.738 1.00 0.00 C ATOM 994 O ARG A 97 6.462 1.987 -3.296 1.00 0.00 O ATOM 995 CB ARG A 97 3.471 1.782 -4.320 1.00 0.00 C ATOM 996 CG ARG A 97 4.441 1.653 -5.502 1.00 0.00 C ATOM 997 CD ARG A 97 5.069 2.988 -5.898 1.00 0.00 C ATOM 998 NE ARG A 97 6.087 2.830 -6.943 1.00 0.00 N ATOM 999 CZ ARG A 97 7.356 3.235 -6.829 1.00 0.00 C ATOM 1000 NH1 ARG A 97 7.788 3.788 -5.701 1.00 0.00 N ATOM 1001 NH2 ARG A 97 8.201 3.073 -7.839 1.00 0.00 N ATOM 0 H ARG A 97 5.204 4.036 -3.479 1.00 0.00 H new ATOM 0 HA ARG A 97 3.413 2.112 -2.192 1.00 0.00 H new ATOM 0 HB2 ARG A 97 3.033 0.804 -4.120 1.00 0.00 H new ATOM 0 HB3 ARG A 97 2.655 2.443 -4.610 1.00 0.00 H new ATOM 0 HG2 ARG A 97 5.230 0.947 -5.243 1.00 0.00 H new ATOM 0 HG3 ARG A 97 3.910 1.238 -6.359 1.00 0.00 H new ATOM 0 HD2 ARG A 97 4.290 3.664 -6.250 1.00 0.00 H new ATOM 0 HD3 ARG A 97 5.520 3.451 -5.020 1.00 0.00 H new ATOM 0 HE ARG A 97 5.808 2.381 -7.815 1.00 0.00 H new ATOM 0 HH11 ARG A 97 7.150 3.906 -4.914 1.00 0.00 H new ATOM 0 HH12 ARG A 97 8.758 4.094 -5.622 1.00 0.00 H new ATOM 0 HH21 ARG A 97 7.883 2.639 -8.705 1.00 0.00 H new ATOM 0 HH22 ARG A 97 9.169 3.383 -7.749 1.00 0.00 H new ATOM 1015 N PHE A 98 5.392 0.622 -1.860 1.00 0.00 N ATOM 1016 CA PHE A 98 6.561 -0.199 -1.580 1.00 0.00 C ATOM 1017 C PHE A 98 6.207 -1.677 -1.729 1.00 0.00 C ATOM 1018 O PHE A 98 5.268 -2.164 -1.094 1.00 0.00 O ATOM 1019 CB PHE A 98 7.104 0.065 -0.165 1.00 0.00 C ATOM 1020 CG PHE A 98 7.397 1.518 0.129 1.00 0.00 C ATOM 1021 CD1 PHE A 98 8.268 2.247 -0.672 1.00 0.00 C ATOM 1022 CD2 PHE A 98 6.795 2.155 1.203 1.00 0.00 C ATOM 1023 CE1 PHE A 98 8.527 3.578 -0.402 1.00 0.00 C ATOM 1024 CE2 PHE A 98 7.054 3.484 1.475 1.00 0.00 C ATOM 1025 CZ PHE A 98 7.920 4.195 0.672 1.00 0.00 C ATOM 0 H PHE A 98 4.562 0.365 -1.325 1.00 0.00 H new ATOM 0 HA PHE A 98 7.338 0.066 -2.297 1.00 0.00 H new ATOM 0 HB2 PHE A 98 6.381 -0.302 0.563 1.00 0.00 H new ATOM 0 HB3 PHE A 98 8.018 -0.513 -0.026 1.00 0.00 H new ATOM 0 HD1 PHE A 98 8.747 1.769 -1.514 1.00 0.00 H new ATOM 0 HD2 PHE A 98 6.114 1.605 1.836 1.00 0.00 H new ATOM 0 HE1 PHE A 98 9.205 4.135 -1.032 1.00 0.00 H new ATOM 0 HE2 PHE A 98 6.578 3.966 2.316 1.00 0.00 H new ATOM 0 HZ PHE A 98 8.123 5.234 0.884 1.00 0.00 H new ATOM 1035 N ILE A 99 6.936 -2.376 -2.593 1.00 0.00 N ATOM 1036 CA ILE A 99 6.788 -3.819 -2.720 1.00 0.00 C ATOM 1037 C ILE A 99 7.813 -4.514 -1.823 1.00 0.00 C ATOM 1038 O ILE A 99 8.941 -4.804 -2.224 1.00 0.00 O ATOM 1039 CB ILE A 99 6.919 -4.288 -4.200 1.00 0.00 C ATOM 1040 CG1 ILE A 99 6.849 -5.824 -4.296 1.00 0.00 C ATOM 1041 CG2 ILE A 99 8.202 -3.751 -4.841 1.00 0.00 C ATOM 1042 CD1 ILE A 99 6.916 -6.358 -5.716 1.00 0.00 C ATOM 0 H ILE A 99 7.634 -1.966 -3.214 1.00 0.00 H new ATOM 0 HA ILE A 99 5.784 -4.095 -2.396 1.00 0.00 H new ATOM 0 HB ILE A 99 6.077 -3.877 -4.758 1.00 0.00 H new ATOM 0 HG12 ILE A 99 7.669 -6.252 -3.719 1.00 0.00 H new ATOM 0 HG13 ILE A 99 5.922 -6.165 -3.834 1.00 0.00 H new ATOM 0 HG21 ILE A 99 8.265 -4.095 -5.873 1.00 0.00 H new ATOM 0 HG22 ILE A 99 8.190 -2.661 -4.822 1.00 0.00 H new ATOM 0 HG23 ILE A 99 9.066 -4.114 -4.284 1.00 0.00 H new ATOM 0 HD11 ILE A 99 6.861 -7.446 -5.698 1.00 0.00 H new ATOM 0 HD12 ILE A 99 6.081 -5.962 -6.294 1.00 0.00 H new ATOM 0 HD13 ILE A 99 7.855 -6.050 -6.177 1.00 0.00 H new ATOM 1054 N VAL A 100 7.408 -4.729 -0.583 1.00 0.00 N ATOM 1055 CA VAL A 100 8.228 -5.395 0.415 1.00 0.00 C ATOM 1056 C VAL A 100 7.383 -6.464 1.082 1.00 0.00 C ATOM 1057 O VAL A 100 6.185 -6.264 1.280 1.00 0.00 O ATOM 1058 CB VAL A 100 8.780 -4.392 1.469 1.00 0.00 C ATOM 1059 CG1 VAL A 100 7.650 -3.612 2.138 1.00 0.00 C ATOM 1060 CG2 VAL A 100 9.645 -5.106 2.513 1.00 0.00 C ATOM 0 H VAL A 100 6.492 -4.443 -0.237 1.00 0.00 H new ATOM 0 HA VAL A 100 9.094 -5.845 -0.071 1.00 0.00 H new ATOM 0 HB VAL A 100 9.412 -3.677 0.942 1.00 0.00 H new ATOM 0 HG11 VAL A 100 8.069 -2.920 2.869 1.00 0.00 H new ATOM 0 HG12 VAL A 100 7.098 -3.052 1.383 1.00 0.00 H new ATOM 0 HG13 VAL A 100 6.976 -4.306 2.640 1.00 0.00 H new ATOM 0 HG21 VAL A 100 10.016 -4.380 3.236 1.00 0.00 H new ATOM 0 HG22 VAL A 100 9.047 -5.858 3.028 1.00 0.00 H new ATOM 0 HG23 VAL A 100 10.488 -5.589 2.018 1.00 0.00 H new ATOM 1070 N GLY A 101 7.988 -7.595 1.413 1.00 0.00 N ATOM 1071 CA GLY A 101 7.211 -8.736 1.849 1.00 0.00 C ATOM 1072 C GLY A 101 6.437 -9.306 0.680 1.00 0.00 C ATOM 1073 O GLY A 101 5.275 -8.974 0.483 1.00 0.00 O ATOM 0 H GLY A 101 8.997 -7.743 1.388 1.00 0.00 H new ATOM 0 HA2 GLY A 101 7.869 -9.498 2.267 1.00 0.00 H new ATOM 0 HA3 GLY A 101 6.524 -8.439 2.641 1.00 0.00 H new ATOM 1077 N SER A 102 7.106 -10.182 -0.066 1.00 0.00 N ATOM 1078 CA SER A 102 6.673 -10.658 -1.385 1.00 0.00 C ATOM 1079 C SER A 102 5.149 -10.703 -1.597 1.00 0.00 C ATOM 1080 O SER A 102 4.666 -10.283 -2.642 1.00 0.00 O ATOM 1081 CB SER A 102 7.266 -12.045 -1.615 1.00 0.00 C ATOM 1082 OG SER A 102 8.677 -12.025 -1.451 1.00 0.00 O ATOM 0 H SER A 102 7.989 -10.594 0.235 1.00 0.00 H new ATOM 0 HA SER A 102 7.037 -9.929 -2.109 1.00 0.00 H new ATOM 0 HB2 SER A 102 6.824 -12.755 -0.915 1.00 0.00 H new ATOM 0 HB3 SER A 102 7.017 -12.390 -2.619 1.00 0.00 H new ATOM 0 HG SER A 102 9.037 -12.924 -1.601 1.00 0.00 H new ATOM 1088 N ASP A 103 4.408 -11.202 -0.614 1.00 0.00 N ATOM 1089 CA ASP A 103 2.964 -11.437 -0.772 1.00 0.00 C ATOM 1090 C ASP A 103 2.151 -10.139 -0.873 1.00 0.00 C ATOM 1091 O ASP A 103 1.123 -10.089 -1.567 1.00 0.00 O ATOM 1092 CB ASP A 103 2.439 -12.287 0.397 1.00 0.00 C ATOM 1093 CG ASP A 103 0.916 -12.377 0.433 1.00 0.00 C ATOM 1094 OD1 ASP A 103 0.315 -12.806 -0.572 1.00 0.00 O ATOM 1095 OD2 ASP A 103 0.313 -12.007 1.470 1.00 0.00 O ATOM 0 H ASP A 103 4.776 -11.454 0.303 1.00 0.00 H new ATOM 0 HA ASP A 103 2.834 -11.969 -1.714 1.00 0.00 H new ATOM 0 HB2 ASP A 103 2.855 -13.292 0.324 1.00 0.00 H new ATOM 0 HB3 ASP A 103 2.795 -11.862 1.336 1.00 0.00 H new ATOM 1100 N ARG A 104 2.597 -9.089 -0.186 1.00 0.00 N ATOM 1101 CA ARG A 104 1.804 -7.869 -0.066 1.00 0.00 C ATOM 1102 C ARG A 104 2.547 -6.641 -0.586 1.00 0.00 C ATOM 1103 O ARG A 104 3.723 -6.430 -0.286 1.00 0.00 O ATOM 1104 CB ARG A 104 1.406 -7.643 1.400 1.00 0.00 C ATOM 1105 CG ARG A 104 0.611 -8.797 1.997 1.00 0.00 C ATOM 1106 CD ARG A 104 0.129 -8.500 3.409 1.00 0.00 C ATOM 1107 NE ARG A 104 -0.787 -9.536 3.894 1.00 0.00 N ATOM 1108 CZ ARG A 104 -1.538 -9.424 4.994 1.00 0.00 C ATOM 1109 NH1 ARG A 104 -1.417 -8.365 5.786 1.00 0.00 N ATOM 1110 NH2 ARG A 104 -2.403 -10.377 5.313 1.00 0.00 N ATOM 0 H ARG A 104 3.497 -9.059 0.293 1.00 0.00 H new ATOM 0 HA ARG A 104 0.914 -8.003 -0.680 1.00 0.00 H new ATOM 0 HB2 ARG A 104 2.307 -7.487 1.993 1.00 0.00 H new ATOM 0 HB3 ARG A 104 0.815 -6.730 1.472 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -0.248 -9.011 1.360 1.00 0.00 H new ATOM 0 HG3 ARG A 104 1.230 -9.694 2.009 1.00 0.00 H new ATOM 0 HD2 ARG A 104 0.986 -8.428 4.079 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -0.372 -7.532 3.427 1.00 0.00 H new ATOM 0 HE ARG A 104 -0.856 -10.400 3.356 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -0.748 -7.630 5.557 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -1.993 -8.286 6.624 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -2.497 -11.200 4.718 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -2.974 -10.287 6.153 1.00 0.00 H new ATOM 1124 N ALA A 105 1.841 -5.839 -1.373 1.00 0.00 N ATOM 1125 CA ALA A 105 2.318 -4.528 -1.789 1.00 0.00 C ATOM 1126 C ALA A 105 1.607 -3.463 -0.960 1.00 0.00 C ATOM 1127 O ALA A 105 0.386 -3.529 -0.789 1.00 0.00 O ATOM 1128 CB ALA A 105 2.061 -4.314 -3.277 1.00 0.00 C ATOM 0 H ALA A 105 0.921 -6.080 -1.741 1.00 0.00 H new ATOM 0 HA ALA A 105 3.393 -4.459 -1.625 1.00 0.00 H new ATOM 0 HB1 ALA A 105 2.424 -3.329 -3.571 1.00 0.00 H new ATOM 0 HB2 ALA A 105 2.584 -5.079 -3.850 1.00 0.00 H new ATOM 0 HB3 ALA A 105 0.991 -4.380 -3.475 1.00 0.00 H new ATOM 1134 N ILE A 106 2.351 -2.502 -0.419 1.00 0.00 N ATOM 1135 CA ILE A 106 1.743 -1.456 0.399 1.00 0.00 C ATOM 1136 C ILE A 106 1.655 -0.133 -0.369 1.00 0.00 C ATOM 1137 O ILE A 106 2.637 0.326 -0.962 1.00 0.00 O ATOM 1138 CB ILE A 106 2.507 -1.240 1.734 1.00 0.00 C ATOM 1139 CG1 ILE A 106 1.824 -0.141 2.567 1.00 0.00 C ATOM 1140 CG2 ILE A 106 3.976 -0.904 1.484 1.00 0.00 C ATOM 1141 CD1 ILE A 106 2.513 0.155 3.883 1.00 0.00 C ATOM 0 H ILE A 106 3.362 -2.425 -0.530 1.00 0.00 H new ATOM 0 HA ILE A 106 0.735 -1.795 0.638 1.00 0.00 H new ATOM 0 HB ILE A 106 2.477 -2.172 2.299 1.00 0.00 H new ATOM 0 HG12 ILE A 106 1.783 0.774 1.977 1.00 0.00 H new ATOM 0 HG13 ILE A 106 0.795 -0.438 2.767 1.00 0.00 H new ATOM 0 HG21 ILE A 106 4.483 -0.759 2.438 1.00 0.00 H new ATOM 0 HG22 ILE A 106 4.449 -1.723 0.942 1.00 0.00 H new ATOM 0 HG23 ILE A 106 4.045 0.010 0.893 1.00 0.00 H new ATOM 0 HD11 ILE A 106 1.970 0.940 4.409 1.00 0.00 H new ATOM 0 HD12 ILE A 106 2.531 -0.747 4.495 1.00 0.00 H new ATOM 0 HD13 ILE A 106 3.534 0.485 3.693 1.00 0.00 H new ATOM 1153 N PHE A 107 0.460 0.456 -0.362 1.00 0.00 N ATOM 1154 CA PHE A 107 0.205 1.749 -0.997 1.00 0.00 C ATOM 1155 C PHE A 107 -0.165 2.779 0.068 1.00 0.00 C ATOM 1156 O PHE A 107 -0.997 2.504 0.937 1.00 0.00 O ATOM 1157 CB PHE A 107 -0.940 1.635 -2.023 1.00 0.00 C ATOM 1158 CG PHE A 107 -0.592 0.848 -3.268 1.00 0.00 C ATOM 1159 CD1 PHE A 107 -0.248 -0.494 -3.190 1.00 0.00 C ATOM 1160 CD2 PHE A 107 -0.618 1.453 -4.520 1.00 0.00 C ATOM 1161 CE1 PHE A 107 0.068 -1.214 -4.326 1.00 0.00 C ATOM 1162 CE2 PHE A 107 -0.304 0.738 -5.659 1.00 0.00 C ATOM 1163 CZ PHE A 107 0.040 -0.596 -5.562 1.00 0.00 C ATOM 0 H PHE A 107 -0.361 0.049 0.085 1.00 0.00 H new ATOM 0 HA PHE A 107 1.109 2.065 -1.517 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -1.798 1.167 -1.540 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -1.248 2.638 -2.317 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -0.227 -0.983 -2.227 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -0.887 2.496 -4.603 1.00 0.00 H new ATOM 0 HE1 PHE A 107 0.336 -2.257 -4.248 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -0.327 1.221 -6.624 1.00 0.00 H new ATOM 0 HZ PHE A 107 0.287 -1.156 -6.452 1.00 0.00 H new ATOM 1173 N MET A 108 0.454 3.954 0.013 1.00 0.00 N ATOM 1174 CA MET A 108 0.143 5.027 0.952 1.00 0.00 C ATOM 1175 C MET A 108 -0.090 6.346 0.218 1.00 0.00 C ATOM 1176 O MET A 108 0.644 6.703 -0.721 1.00 0.00 O ATOM 1177 CB MET A 108 1.252 5.188 2.003 1.00 0.00 C ATOM 1178 CG MET A 108 2.621 5.535 1.432 1.00 0.00 C ATOM 1179 SD MET A 108 3.354 4.187 0.487 1.00 0.00 S ATOM 1180 CE MET A 108 3.497 2.926 1.750 1.00 0.00 C ATOM 0 H MET A 108 1.173 4.188 -0.671 1.00 0.00 H new ATOM 0 HA MET A 108 -0.777 4.753 1.469 1.00 0.00 H new ATOM 0 HB2 MET A 108 0.958 5.967 2.706 1.00 0.00 H new ATOM 0 HB3 MET A 108 1.334 4.261 2.571 1.00 0.00 H new ATOM 0 HG2 MET A 108 2.529 6.412 0.791 1.00 0.00 H new ATOM 0 HG3 MET A 108 3.291 5.805 2.248 1.00 0.00 H new ATOM 0 HE1 MET A 108 3.952 2.033 1.322 1.00 0.00 H new ATOM 0 HE2 MET A 108 4.119 3.296 2.565 1.00 0.00 H new ATOM 0 HE3 MET A 108 2.506 2.681 2.133 1.00 0.00 H new ATOM 1190 N LEU A 109 -1.134 7.055 0.648 1.00 0.00 N ATOM 1191 CA LEU A 109 -1.510 8.342 0.071 1.00 0.00 C ATOM 1192 C LEU A 109 -1.536 9.412 1.161 1.00 0.00 C ATOM 1193 O LEU A 109 -1.692 9.104 2.345 1.00 0.00 O ATOM 1194 CB LEU A 109 -2.905 8.272 -0.588 1.00 0.00 C ATOM 1195 CG LEU A 109 -3.077 7.274 -1.753 1.00 0.00 C ATOM 1196 CD1 LEU A 109 -3.135 5.830 -1.255 1.00 0.00 C ATOM 1197 CD2 LEU A 109 -4.329 7.609 -2.563 1.00 0.00 C ATOM 0 H LEU A 109 -1.743 6.751 1.408 1.00 0.00 H new ATOM 0 HA LEU A 109 -0.771 8.595 -0.690 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -3.633 8.021 0.184 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -3.158 9.267 -0.954 1.00 0.00 H new ATOM 0 HG LEU A 109 -2.203 7.367 -2.398 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -3.257 5.157 -2.104 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -2.211 5.589 -0.730 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -3.979 5.713 -0.576 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -4.435 6.896 -3.380 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -5.206 7.554 -1.917 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -4.240 8.616 -2.970 1.00 0.00 H new ATOM 1209 N ARG A 110 -1.373 10.670 0.757 1.00 0.00 N ATOM 1210 CA ARG A 110 -1.558 11.809 1.660 1.00 0.00 C ATOM 1211 C ARG A 110 -2.885 12.498 1.337 1.00 0.00 C ATOM 1212 O ARG A 110 -3.216 13.542 1.896 1.00 0.00 O ATOM 1213 CB ARG A 110 -0.393 12.810 1.538 1.00 0.00 C ATOM 1214 CG ARG A 110 0.988 12.205 1.797 1.00 0.00 C ATOM 1215 CD ARG A 110 1.111 11.592 3.193 1.00 0.00 C ATOM 1216 NE ARG A 110 0.960 12.582 4.268 1.00 0.00 N ATOM 1217 CZ ARG A 110 1.569 12.496 5.459 1.00 0.00 C ATOM 1218 NH1 ARG A 110 2.415 11.504 5.716 1.00 0.00 N ATOM 1219 NH2 ARG A 110 1.331 13.408 6.389 1.00 0.00 N ATOM 0 H ARG A 110 -1.112 10.929 -0.194 1.00 0.00 H new ATOM 0 HA ARG A 110 -1.575 11.444 2.687 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -0.405 13.243 0.538 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -0.556 13.627 2.241 1.00 0.00 H new ATOM 0 HG2 ARG A 110 1.191 11.439 1.049 1.00 0.00 H new ATOM 0 HG3 ARG A 110 1.747 12.978 1.676 1.00 0.00 H new ATOM 0 HD2 ARG A 110 0.354 10.816 3.312 1.00 0.00 H new ATOM 0 HD3 ARG A 110 2.082 11.107 3.287 1.00 0.00 H new ATOM 0 HE ARG A 110 0.354 13.385 4.097 1.00 0.00 H new ATOM 0 HH11 ARG A 110 2.606 10.799 5.004 1.00 0.00 H new ATOM 0 HH12 ARG A 110 2.873 11.447 6.625 1.00 0.00 H new ATOM 0 HH21 ARG A 110 0.685 14.174 6.198 1.00 0.00 H new ATOM 0 HH22 ARG A 110 1.793 13.344 7.296 1.00 0.00 H new ATOM 1233 N ASP A 111 -3.638 11.884 0.424 1.00 0.00 N ATOM 1234 CA ASP A 111 -4.917 12.417 -0.045 1.00 0.00 C ATOM 1235 C ASP A 111 -5.950 11.292 -0.097 1.00 0.00 C ATOM 1236 O ASP A 111 -5.590 10.128 -0.284 1.00 0.00 O ATOM 1237 CB ASP A 111 -4.746 13.050 -1.437 1.00 0.00 C ATOM 1238 CG ASP A 111 -6.058 13.542 -2.033 1.00 0.00 C ATOM 1239 OD1 ASP A 111 -6.464 14.690 -1.737 1.00 0.00 O ATOM 1240 OD2 ASP A 111 -6.693 12.784 -2.795 1.00 0.00 O ATOM 0 H ASP A 111 -3.377 11.000 -0.013 1.00 0.00 H new ATOM 0 HA ASP A 111 -5.263 13.187 0.645 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -4.049 13.885 -1.367 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -4.299 12.318 -2.110 1.00 0.00 H new ATOM 1245 N GLY A 112 -7.225 11.638 0.070 1.00 0.00 N ATOM 1246 CA GLY A 112 -8.279 10.635 0.100 1.00 0.00 C ATOM 1247 C GLY A 112 -9.407 10.930 -0.869 1.00 0.00 C ATOM 1248 O GLY A 112 -10.582 10.762 -0.535 1.00 0.00 O ATOM 0 H GLY A 112 -7.548 12.599 0.185 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -7.852 9.660 -0.135 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -8.683 10.571 1.110 1.00 0.00 H new ATOM 1252 N SER A 113 -9.056 11.376 -2.070 1.00 0.00 N ATOM 1253 CA SER A 113 -10.045 11.629 -3.116 1.00 0.00 C ATOM 1254 C SER A 113 -10.194 10.395 -4.009 1.00 0.00 C ATOM 1255 O SER A 113 -11.240 9.747 -4.027 1.00 0.00 O ATOM 1256 CB SER A 113 -9.628 12.841 -3.956 1.00 0.00 C ATOM 1257 OG SER A 113 -9.340 13.963 -3.133 1.00 0.00 O ATOM 0 H SER A 113 -8.093 11.571 -2.345 1.00 0.00 H new ATOM 0 HA SER A 113 -11.006 11.842 -2.647 1.00 0.00 H new ATOM 0 HB2 SER A 113 -8.751 12.589 -4.552 1.00 0.00 H new ATOM 0 HB3 SER A 113 -10.426 13.094 -4.654 1.00 0.00 H new ATOM 0 HG SER A 113 -8.373 14.019 -2.983 1.00 0.00 H new ATOM 1263 N TYR A 114 -9.123 10.065 -4.730 1.00 0.00 N ATOM 1264 CA TYR A 114 -9.117 8.911 -5.634 1.00 0.00 C ATOM 1265 C TYR A 114 -8.630 7.651 -4.913 1.00 0.00 C ATOM 1266 O TYR A 114 -8.105 6.722 -5.534 1.00 0.00 O ATOM 1267 CB TYR A 114 -8.256 9.211 -6.876 1.00 0.00 C ATOM 1268 CG TYR A 114 -6.820 9.606 -6.573 1.00 0.00 C ATOM 1269 CD1 TYR A 114 -6.488 10.924 -6.269 1.00 0.00 C ATOM 1270 CD2 TYR A 114 -5.796 8.666 -6.608 1.00 0.00 C ATOM 1271 CE1 TYR A 114 -5.181 11.290 -6.008 1.00 0.00 C ATOM 1272 CE2 TYR A 114 -4.489 9.024 -6.347 1.00 0.00 C ATOM 1273 CZ TYR A 114 -4.187 10.336 -6.049 1.00 0.00 C ATOM 1274 OH TYR A 114 -2.882 10.695 -5.793 1.00 0.00 O ATOM 0 H TYR A 114 -8.244 10.582 -4.707 1.00 0.00 H new ATOM 0 HA TYR A 114 -10.139 8.725 -5.964 1.00 0.00 H new ATOM 0 HB2 TYR A 114 -8.248 8.330 -7.517 1.00 0.00 H new ATOM 0 HB3 TYR A 114 -8.727 10.014 -7.443 1.00 0.00 H new ATOM 0 HD1 TYR A 114 -7.265 11.673 -6.237 1.00 0.00 H new ATOM 0 HD2 TYR A 114 -6.028 7.638 -6.844 1.00 0.00 H new ATOM 0 HE1 TYR A 114 -4.940 12.316 -5.774 1.00 0.00 H new ATOM 0 HE2 TYR A 114 -3.707 8.280 -6.376 1.00 0.00 H new ATOM 0 HH TYR A 114 -2.867 11.452 -5.171 1.00 0.00 H new ATOM 1284 N ALA A 115 -8.841 7.612 -3.599 1.00 0.00 N ATOM 1285 CA ALA A 115 -8.454 6.462 -2.786 1.00 0.00 C ATOM 1286 C ALA A 115 -9.269 5.231 -3.169 1.00 0.00 C ATOM 1287 O ALA A 115 -8.719 4.149 -3.385 1.00 0.00 O ATOM 1288 CB ALA A 115 -8.638 6.776 -1.308 1.00 0.00 C ATOM 0 H ALA A 115 -9.280 8.368 -3.073 1.00 0.00 H new ATOM 0 HA ALA A 115 -7.402 6.249 -2.973 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -8.346 5.911 -0.713 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -8.016 7.629 -1.037 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -9.684 7.013 -1.114 1.00 0.00 H new ATOM 1294 N TRP A 116 -10.586 5.408 -3.263 1.00 0.00 N ATOM 1295 CA TRP A 116 -11.482 4.311 -3.611 1.00 0.00 C ATOM 1296 C TRP A 116 -11.264 3.893 -5.060 1.00 0.00 C ATOM 1297 O TRP A 116 -11.427 2.722 -5.408 1.00 0.00 O ATOM 1298 CB TRP A 116 -12.949 4.707 -3.354 1.00 0.00 C ATOM 1299 CG TRP A 116 -13.661 3.762 -2.429 1.00 0.00 C ATOM 1300 CD1 TRP A 116 -14.888 3.193 -2.615 1.00 0.00 C ATOM 1301 CD2 TRP A 116 -13.174 3.262 -1.175 1.00 0.00 C ATOM 1302 NE1 TRP A 116 -15.196 2.377 -1.554 1.00 0.00 N ATOM 1303 CE2 TRP A 116 -14.160 2.403 -0.656 1.00 0.00 C ATOM 1304 CE3 TRP A 116 -12.003 3.463 -0.440 1.00 0.00 C ATOM 1305 CZ2 TRP A 116 -14.007 1.744 0.561 1.00 0.00 C ATOM 1306 CZ3 TRP A 116 -11.850 2.808 0.765 1.00 0.00 C ATOM 1307 CH2 TRP A 116 -12.850 1.958 1.257 1.00 0.00 C ATOM 0 H TRP A 116 -11.054 6.300 -3.103 1.00 0.00 H new ATOM 0 HA TRP A 116 -11.255 3.455 -2.975 1.00 0.00 H new ATOM 0 HB2 TRP A 116 -12.979 5.711 -2.931 1.00 0.00 H new ATOM 0 HB3 TRP A 116 -13.481 4.745 -4.305 1.00 0.00 H new ATOM 0 HD1 TRP A 116 -15.524 3.360 -3.472 1.00 0.00 H new ATOM 0 HE1 TRP A 116 -16.056 1.839 -1.451 1.00 0.00 H new ATOM 0 HE3 TRP A 116 -11.230 4.121 -0.809 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 -14.775 1.087 0.942 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 -10.946 2.953 1.338 1.00 0.00 H new ATOM 0 HH2 TRP A 116 -12.704 1.462 2.205 1.00 0.00 H new ATOM 1318 N GLU A 117 -10.879 4.857 -5.896 1.00 0.00 N ATOM 1319 CA GLU A 117 -10.476 4.570 -7.269 1.00 0.00 C ATOM 1320 C GLU A 117 -9.395 3.491 -7.264 1.00 0.00 C ATOM 1321 O GLU A 117 -9.490 2.489 -7.976 1.00 0.00 O ATOM 1322 CB GLU A 117 -9.945 5.843 -7.949 1.00 0.00 C ATOM 1323 CG GLU A 117 -9.426 5.625 -9.370 1.00 0.00 C ATOM 1324 CD GLU A 117 -10.534 5.435 -10.395 1.00 0.00 C ATOM 1325 OE1 GLU A 117 -11.255 4.416 -10.330 1.00 0.00 O ATOM 1326 OE2 GLU A 117 -10.694 6.309 -11.275 1.00 0.00 O ATOM 0 H GLU A 117 -10.838 5.845 -5.644 1.00 0.00 H new ATOM 0 HA GLU A 117 -11.342 4.216 -7.828 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -10.742 6.586 -7.975 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -9.142 6.258 -7.341 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -8.815 6.479 -9.661 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -8.776 4.750 -9.381 1.00 0.00 H new ATOM 1333 N ILE A 118 -8.377 3.706 -6.430 1.00 0.00 N ATOM 1334 CA ILE A 118 -7.287 2.751 -6.270 1.00 0.00 C ATOM 1335 C ILE A 118 -7.789 1.438 -5.679 1.00 0.00 C ATOM 1336 O ILE A 118 -7.437 0.377 -6.169 1.00 0.00 O ATOM 1337 CB ILE A 118 -6.139 3.332 -5.399 1.00 0.00 C ATOM 1338 CG1 ILE A 118 -5.283 4.289 -6.239 1.00 0.00 C ATOM 1339 CG2 ILE A 118 -5.269 2.225 -4.800 1.00 0.00 C ATOM 1340 CD1 ILE A 118 -4.190 4.991 -5.458 1.00 0.00 C ATOM 0 H ILE A 118 -8.287 4.541 -5.852 1.00 0.00 H new ATOM 0 HA ILE A 118 -6.886 2.552 -7.264 1.00 0.00 H new ATOM 0 HB ILE A 118 -6.587 3.880 -4.570 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -4.828 3.730 -7.057 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -5.932 5.040 -6.689 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -4.477 2.670 -4.198 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -5.883 1.579 -4.172 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -4.826 1.636 -5.603 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -3.632 5.648 -6.124 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -4.636 5.580 -4.657 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -3.515 4.250 -5.030 1.00 0.00 H new ATOM 1352 N LYS A 119 -8.617 1.515 -4.640 1.00 0.00 N ATOM 1353 CA LYS A 119 -9.164 0.311 -4.002 1.00 0.00 C ATOM 1354 C LYS A 119 -9.801 -0.599 -5.056 1.00 0.00 C ATOM 1355 O LYS A 119 -9.398 -1.760 -5.235 1.00 0.00 O ATOM 1356 CB LYS A 119 -10.185 0.709 -2.914 1.00 0.00 C ATOM 1357 CG LYS A 119 -10.727 -0.455 -2.072 1.00 0.00 C ATOM 1358 CD LYS A 119 -11.914 -1.173 -2.726 1.00 0.00 C ATOM 1359 CE LYS A 119 -13.115 -0.248 -2.901 1.00 0.00 C ATOM 1360 NZ LYS A 119 -14.296 -0.957 -3.464 1.00 0.00 N ATOM 0 H LYS A 119 -8.925 2.392 -4.220 1.00 0.00 H new ATOM 0 HA LYS A 119 -8.357 -0.243 -3.523 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -9.718 1.433 -2.247 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -11.025 1.213 -3.393 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -9.926 -1.174 -1.900 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -11.032 -0.078 -1.096 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -11.611 -1.562 -3.698 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -12.201 -2.029 -2.115 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -13.380 0.186 -1.937 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -12.842 0.578 -3.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -15.040 -0.266 -3.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -14.017 -1.463 -4.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -14.658 -1.638 -2.766 1.00 0.00 H new ATOM 1374 N ASP A 120 -10.778 -0.050 -5.773 1.00 0.00 N ATOM 1375 CA ASP A 120 -11.467 -0.793 -6.820 1.00 0.00 C ATOM 1376 C ASP A 120 -10.494 -1.213 -7.915 1.00 0.00 C ATOM 1377 O ASP A 120 -10.587 -2.320 -8.440 1.00 0.00 O ATOM 1378 CB ASP A 120 -12.623 0.030 -7.412 1.00 0.00 C ATOM 1379 CG ASP A 120 -13.814 0.120 -6.465 1.00 0.00 C ATOM 1380 OD1 ASP A 120 -14.617 -0.838 -6.418 1.00 0.00 O ATOM 1381 OD2 ASP A 120 -13.947 1.134 -5.753 1.00 0.00 O ATOM 0 H ASP A 120 -11.109 0.906 -5.647 1.00 0.00 H new ATOM 0 HA ASP A 120 -11.887 -1.692 -6.370 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -12.269 1.035 -7.644 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -12.942 -0.420 -8.352 1.00 0.00 H new ATOM 1386 N PHE A 121 -9.527 -0.349 -8.222 1.00 0.00 N ATOM 1387 CA PHE A 121 -8.550 -0.637 -9.270 1.00 0.00 C ATOM 1388 C PHE A 121 -7.712 -1.857 -8.895 1.00 0.00 C ATOM 1389 O PHE A 121 -7.518 -2.760 -9.707 1.00 0.00 O ATOM 1390 CB PHE A 121 -7.644 0.582 -9.505 1.00 0.00 C ATOM 1391 CG PHE A 121 -6.538 0.339 -10.500 1.00 0.00 C ATOM 1392 CD1 PHE A 121 -6.829 0.106 -11.837 1.00 0.00 C ATOM 1393 CD2 PHE A 121 -5.210 0.341 -10.098 1.00 0.00 C ATOM 1394 CE1 PHE A 121 -5.816 -0.120 -12.750 1.00 0.00 C ATOM 1395 CE2 PHE A 121 -4.197 0.116 -11.007 1.00 0.00 C ATOM 1396 CZ PHE A 121 -4.500 -0.116 -12.335 1.00 0.00 C ATOM 0 H PHE A 121 -9.400 0.552 -7.762 1.00 0.00 H new ATOM 0 HA PHE A 121 -9.086 -0.855 -10.194 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -8.255 1.415 -9.852 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -7.204 0.884 -8.554 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -7.857 0.101 -12.167 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -4.967 0.521 -9.061 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -6.054 -0.300 -13.788 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -3.167 0.121 -10.681 1.00 0.00 H new ATOM 0 HZ PHE A 121 -3.708 -0.294 -13.047 1.00 0.00 H new ATOM 1406 N LEU A 122 -7.223 -1.876 -7.659 1.00 0.00 N ATOM 1407 CA LEU A 122 -6.444 -3.000 -7.147 1.00 0.00 C ATOM 1408 C LEU A 122 -7.245 -4.299 -7.231 1.00 0.00 C ATOM 1409 O LEU A 122 -6.732 -5.324 -7.680 1.00 0.00 O ATOM 1410 CB LEU A 122 -6.015 -2.749 -5.692 1.00 0.00 C ATOM 1411 CG LEU A 122 -5.198 -1.469 -5.445 1.00 0.00 C ATOM 1412 CD1 LEU A 122 -4.809 -1.352 -3.975 1.00 0.00 C ATOM 1413 CD2 LEU A 122 -3.957 -1.424 -6.335 1.00 0.00 C ATOM 0 H LEU A 122 -7.354 -1.119 -6.988 1.00 0.00 H new ATOM 0 HA LEU A 122 -5.552 -3.095 -7.766 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -6.910 -2.712 -5.071 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -5.428 -3.603 -5.354 1.00 0.00 H new ATOM 0 HG LEU A 122 -5.827 -0.617 -5.704 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -4.232 -0.440 -3.823 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -5.710 -1.318 -3.362 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -4.207 -2.214 -3.688 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -3.401 -0.508 -6.137 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -3.325 -2.286 -6.122 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -4.259 -1.446 -7.382 1.00 0.00 H new ATOM 1425 N VAL A 123 -8.509 -4.248 -6.807 1.00 0.00 N ATOM 1426 CA VAL A 123 -9.353 -5.449 -6.782 1.00 0.00 C ATOM 1427 C VAL A 123 -10.023 -5.712 -8.142 1.00 0.00 C ATOM 1428 O VAL A 123 -10.661 -6.749 -8.337 1.00 0.00 O ATOM 1429 CB VAL A 123 -10.445 -5.352 -5.687 1.00 0.00 C ATOM 1430 CG1 VAL A 123 -9.822 -5.028 -4.330 1.00 0.00 C ATOM 1431 CG2 VAL A 123 -11.509 -4.322 -6.059 1.00 0.00 C ATOM 0 H VAL A 123 -8.969 -3.399 -6.479 1.00 0.00 H new ATOM 0 HA VAL A 123 -8.689 -6.283 -6.554 1.00 0.00 H new ATOM 0 HB VAL A 123 -10.935 -6.323 -5.614 1.00 0.00 H new ATOM 0 HG11 VAL A 123 -10.606 -4.964 -3.576 1.00 0.00 H new ATOM 0 HG12 VAL A 123 -9.118 -5.814 -4.056 1.00 0.00 H new ATOM 0 HG13 VAL A 123 -9.297 -4.075 -4.389 1.00 0.00 H new ATOM 0 HG21 VAL A 123 -12.262 -4.276 -5.272 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -11.043 -3.343 -6.173 1.00 0.00 H new ATOM 0 HG23 VAL A 123 -11.982 -4.611 -6.997 1.00 0.00 H new ATOM 1441 N SER A 124 -9.868 -4.776 -9.074 1.00 0.00 N ATOM 1442 CA SER A 124 -10.516 -4.847 -10.391 1.00 0.00 C ATOM 1443 C SER A 124 -9.965 -5.970 -11.288 1.00 0.00 C ATOM 1444 O SER A 124 -10.415 -6.126 -12.427 1.00 0.00 O ATOM 1445 CB SER A 124 -10.387 -3.498 -11.115 1.00 0.00 C ATOM 1446 OG SER A 124 -11.145 -3.481 -12.314 1.00 0.00 O ATOM 0 H SER A 124 -9.291 -3.945 -8.943 1.00 0.00 H new ATOM 0 HA SER A 124 -11.564 -5.081 -10.204 1.00 0.00 H new ATOM 0 HB2 SER A 124 -10.724 -2.697 -10.458 1.00 0.00 H new ATOM 0 HB3 SER A 124 -9.339 -3.304 -11.342 1.00 0.00 H new ATOM 0 HG SER A 124 -11.130 -4.371 -12.723 1.00 0.00 H new ATOM 1452 N GLN A 125 -9.006 -6.756 -10.803 1.00 0.00 N ATOM 1453 CA GLN A 125 -8.362 -7.770 -11.641 1.00 0.00 C ATOM 1454 C GLN A 125 -9.018 -9.133 -11.436 1.00 0.00 C ATOM 1455 O GLN A 125 -9.620 -9.389 -10.392 1.00 0.00 O ATOM 1456 CB GLN A 125 -6.861 -7.871 -11.327 1.00 0.00 C ATOM 1457 CG GLN A 125 -6.014 -6.727 -11.881 1.00 0.00 C ATOM 1458 CD GLN A 125 -6.452 -5.361 -11.388 1.00 0.00 C ATOM 1459 OE1 GLN A 125 -7.217 -4.659 -12.050 1.00 0.00 O ATOM 1460 NE2 GLN A 125 -6.002 -4.995 -10.201 1.00 0.00 N ATOM 0 H GLN A 125 -8.659 -6.713 -9.845 1.00 0.00 H new ATOM 0 HA GLN A 125 -8.484 -7.466 -12.681 1.00 0.00 H new ATOM 0 HB2 GLN A 125 -6.732 -7.910 -10.245 1.00 0.00 H new ATOM 0 HB3 GLN A 125 -6.483 -8.812 -11.727 1.00 0.00 H new ATOM 0 HG2 GLN A 125 -4.972 -6.889 -11.604 1.00 0.00 H new ATOM 0 HG3 GLN A 125 -6.060 -6.744 -12.970 1.00 0.00 H new ATOM 0 HE21 GLN A 125 -5.369 -5.606 -9.685 1.00 0.00 H new ATOM 0 HE22 GLN A 125 -6.287 -4.101 -9.801 1.00 0.00 H new ATOM 1469 N ASP A 126 -8.898 -9.997 -12.443 1.00 0.00 N ATOM 1470 CA ASP A 126 -9.415 -11.368 -12.372 1.00 0.00 C ATOM 1471 C ASP A 126 -8.922 -12.071 -11.108 1.00 0.00 C ATOM 1472 O ASP A 126 -9.713 -12.626 -10.344 1.00 0.00 O ATOM 1473 CB ASP A 126 -8.984 -12.175 -13.606 1.00 0.00 C ATOM 1474 CG ASP A 126 -9.572 -11.639 -14.901 1.00 0.00 C ATOM 1475 OD1 ASP A 126 -9.014 -10.672 -15.461 1.00 0.00 O ATOM 1476 OD2 ASP A 126 -10.590 -12.188 -15.370 1.00 0.00 O ATOM 0 H ASP A 126 -8.443 -9.771 -13.327 1.00 0.00 H new ATOM 0 HA ASP A 126 -10.503 -11.310 -12.344 1.00 0.00 H new ATOM 0 HB2 ASP A 126 -7.896 -12.167 -13.677 1.00 0.00 H new ATOM 0 HB3 ASP A 126 -9.288 -13.214 -13.478 1.00 0.00 H new ATOM 1481 N ARG A 127 -7.606 -12.035 -10.897 1.00 0.00 N ATOM 1482 CA ARG A 127 -6.981 -12.651 -9.721 1.00 0.00 C ATOM 1483 C ARG A 127 -7.375 -11.927 -8.434 1.00 0.00 C ATOM 1484 O ARG A 127 -7.095 -12.409 -7.333 1.00 0.00 O ATOM 1485 CB ARG A 127 -5.453 -12.653 -9.870 1.00 0.00 C ATOM 1486 CG ARG A 127 -4.951 -13.474 -11.053 1.00 0.00 C ATOM 1487 CD ARG A 127 -3.438 -13.382 -11.206 1.00 0.00 C ATOM 1488 NE ARG A 127 -2.956 -14.176 -12.337 1.00 0.00 N ATOM 1489 CZ ARG A 127 -1.839 -13.917 -13.017 1.00 0.00 C ATOM 1490 NH1 ARG A 127 -1.074 -12.881 -12.690 1.00 0.00 N ATOM 1491 NH2 ARG A 127 -1.487 -14.701 -14.024 1.00 0.00 N ATOM 0 H ARG A 127 -6.946 -11.583 -11.529 1.00 0.00 H new ATOM 0 HA ARG A 127 -7.340 -13.678 -9.656 1.00 0.00 H new ATOM 0 HB2 ARG A 127 -5.107 -11.625 -9.980 1.00 0.00 H new ATOM 0 HB3 ARG A 127 -5.009 -13.043 -8.954 1.00 0.00 H new ATOM 0 HG2 ARG A 127 -5.240 -14.517 -10.920 1.00 0.00 H new ATOM 0 HG3 ARG A 127 -5.430 -13.124 -11.967 1.00 0.00 H new ATOM 0 HD2 ARG A 127 -3.150 -12.340 -11.344 1.00 0.00 H new ATOM 0 HD3 ARG A 127 -2.959 -13.726 -10.290 1.00 0.00 H new ATOM 0 HE ARG A 127 -3.512 -14.981 -12.624 1.00 0.00 H new ATOM 0 HH11 ARG A 127 -1.340 -12.276 -11.913 1.00 0.00 H new ATOM 0 HH12 ARG A 127 -0.221 -12.691 -13.216 1.00 0.00 H new ATOM 0 HH21 ARG A 127 -2.070 -15.499 -14.277 1.00 0.00 H new ATOM 0 HH22 ARG A 127 -0.633 -14.507 -14.547 1.00 0.00 H new ATOM 1505 N CYS A 128 -8.020 -10.769 -8.586 1.00 0.00 N ATOM 1506 CA CYS A 128 -8.481 -9.971 -7.457 1.00 0.00 C ATOM 1507 C CYS A 128 -7.296 -9.428 -6.651 1.00 0.00 C ATOM 1508 O CYS A 128 -6.186 -9.305 -7.176 1.00 0.00 O ATOM 1509 CB CYS A 128 -9.422 -10.805 -6.573 1.00 0.00 C ATOM 1510 SG CYS A 128 -10.853 -11.471 -7.455 1.00 0.00 S ATOM 0 H CYS A 128 -8.236 -10.361 -9.496 1.00 0.00 H new ATOM 0 HA CYS A 128 -9.037 -9.114 -7.837 1.00 0.00 H new ATOM 0 HB2 CYS A 128 -8.859 -11.630 -6.137 1.00 0.00 H new ATOM 0 HB3 CYS A 128 -9.772 -10.186 -5.747 1.00 0.00 H new ATOM 0 HG CYS A 128 -10.473 -11.942 -8.606 1.00 0.00 H new ATOM 1516 N ALA A 129 -7.552 -9.116 -5.381 1.00 0.00 N ATOM 1517 CA ALA A 129 -6.571 -8.504 -4.489 1.00 0.00 C ATOM 1518 C ALA A 129 -7.258 -8.139 -3.181 1.00 0.00 C ATOM 1519 O ALA A 129 -8.294 -7.475 -3.194 1.00 0.00 O ATOM 1520 CB ALA A 129 -5.943 -7.259 -5.116 1.00 0.00 C ATOM 0 H ALA A 129 -8.456 -9.283 -4.939 1.00 0.00 H new ATOM 0 HA ALA A 129 -5.769 -9.219 -4.307 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -5.218 -6.830 -4.425 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -5.441 -7.533 -6.044 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -6.721 -6.526 -5.327 1.00 0.00 H new ATOM 1526 N GLU A 130 -6.712 -8.588 -2.063 1.00 0.00 N ATOM 1527 CA GLU A 130 -7.304 -8.289 -0.767 1.00 0.00 C ATOM 1528 C GLU A 130 -6.606 -7.093 -0.129 1.00 0.00 C ATOM 1529 O GLU A 130 -5.419 -7.149 0.215 1.00 0.00 O ATOM 1530 CB GLU A 130 -7.257 -9.514 0.151 1.00 0.00 C ATOM 1531 CG GLU A 130 -8.123 -10.673 -0.336 1.00 0.00 C ATOM 1532 CD GLU A 130 -8.149 -11.829 0.645 1.00 0.00 C ATOM 1533 OE1 GLU A 130 -8.745 -11.671 1.734 1.00 0.00 O ATOM 1534 OE2 GLU A 130 -7.561 -12.893 0.349 1.00 0.00 O ATOM 0 H GLU A 130 -5.866 -9.157 -2.025 1.00 0.00 H new ATOM 0 HA GLU A 130 -8.352 -8.030 -0.916 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -6.225 -9.854 0.238 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -7.582 -9.223 1.150 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -9.140 -10.318 -0.502 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -7.748 -11.024 -1.297 1.00 0.00 H new ATOM 1541 N VAL A 131 -7.354 -6.005 0.007 1.00 0.00 N ATOM 1542 CA VAL A 131 -6.835 -4.762 0.557 1.00 0.00 C ATOM 1543 C VAL A 131 -7.220 -4.633 2.029 1.00 0.00 C ATOM 1544 O VAL A 131 -8.354 -4.922 2.414 1.00 0.00 O ATOM 1545 CB VAL A 131 -7.375 -3.539 -0.228 1.00 0.00 C ATOM 1546 CG1 VAL A 131 -6.788 -2.236 0.311 1.00 0.00 C ATOM 1547 CG2 VAL A 131 -7.089 -3.688 -1.723 1.00 0.00 C ATOM 0 H VAL A 131 -8.337 -5.961 -0.261 1.00 0.00 H new ATOM 0 HA VAL A 131 -5.749 -4.784 0.467 1.00 0.00 H new ATOM 0 HB VAL A 131 -8.455 -3.500 -0.089 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -7.184 -1.395 -0.258 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -7.058 -2.122 1.361 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -5.702 -2.259 0.216 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -7.476 -2.819 -2.256 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -6.013 -3.762 -1.882 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -7.574 -4.589 -2.098 1.00 0.00 H new ATOM 1557 N THR A 132 -6.263 -4.219 2.847 1.00 0.00 N ATOM 1558 CA THR A 132 -6.491 -3.990 4.267 1.00 0.00 C ATOM 1559 C THR A 132 -6.024 -2.587 4.639 1.00 0.00 C ATOM 1560 O THR A 132 -4.829 -2.289 4.568 1.00 0.00 O ATOM 1561 CB THR A 132 -5.729 -5.033 5.116 1.00 0.00 C ATOM 1562 OG1 THR A 132 -6.049 -6.356 4.661 1.00 0.00 O ATOM 1563 CG2 THR A 132 -6.072 -4.904 6.599 1.00 0.00 C ATOM 0 H THR A 132 -5.307 -4.032 2.545 1.00 0.00 H new ATOM 0 HA THR A 132 -7.557 -4.088 4.470 1.00 0.00 H new ATOM 0 HB THR A 132 -4.661 -4.848 4.997 1.00 0.00 H new ATOM 0 HG1 THR A 132 -5.563 -7.014 5.200 1.00 0.00 H new ATOM 0 HG21 THR A 132 -5.519 -5.652 7.167 1.00 0.00 H new ATOM 0 HG22 THR A 132 -5.801 -3.908 6.950 1.00 0.00 H new ATOM 0 HG23 THR A 132 -7.142 -5.059 6.740 1.00 0.00 H new ATOM 1571 N LEU A 133 -6.960 -1.710 4.999 1.00 0.00 N ATOM 1572 CA LEU A 133 -6.630 -0.334 5.352 1.00 0.00 C ATOM 1573 C LEU A 133 -6.350 -0.234 6.846 1.00 0.00 C ATOM 1574 O LEU A 133 -7.158 -0.679 7.663 1.00 0.00 O ATOM 1575 CB LEU A 133 -7.781 0.622 4.985 1.00 0.00 C ATOM 1576 CG LEU A 133 -8.151 0.714 3.490 1.00 0.00 C ATOM 1577 CD1 LEU A 133 -8.817 -0.569 2.995 1.00 0.00 C ATOM 1578 CD2 LEU A 133 -9.055 1.920 3.238 1.00 0.00 C ATOM 0 H LEU A 133 -7.954 -1.931 5.053 1.00 0.00 H new ATOM 0 HA LEU A 133 -5.742 -0.045 4.789 1.00 0.00 H new ATOM 0 HB2 LEU A 133 -8.669 0.315 5.538 1.00 0.00 H new ATOM 0 HB3 LEU A 133 -7.519 1.621 5.333 1.00 0.00 H new ATOM 0 HG LEU A 133 -7.227 0.843 2.927 1.00 0.00 H new ATOM 0 HD11 LEU A 133 -9.063 -0.467 1.938 1.00 0.00 H new ATOM 0 HD12 LEU A 133 -8.135 -1.408 3.129 1.00 0.00 H new ATOM 0 HD13 LEU A 133 -9.729 -0.748 3.564 1.00 0.00 H new ATOM 0 HD21 LEU A 133 -9.307 1.971 2.179 1.00 0.00 H new ATOM 0 HD22 LEU A 133 -9.969 1.819 3.824 1.00 0.00 H new ATOM 0 HD23 LEU A 133 -8.535 2.832 3.531 1.00 0.00 H new ATOM 1590 N GLU A 134 -5.211 0.344 7.200 1.00 0.00 N ATOM 1591 CA GLU A 134 -4.864 0.555 8.599 1.00 0.00 C ATOM 1592 C GLU A 134 -5.261 1.962 9.031 1.00 0.00 C ATOM 1593 O GLU A 134 -4.610 2.942 8.667 1.00 0.00 O ATOM 1594 CB GLU A 134 -3.364 0.328 8.819 1.00 0.00 C ATOM 1595 CG GLU A 134 -2.910 -1.096 8.520 1.00 0.00 C ATOM 1596 CD GLU A 134 -3.633 -2.138 9.363 1.00 0.00 C ATOM 1597 OE1 GLU A 134 -3.700 -1.969 10.601 1.00 0.00 O ATOM 1598 OE2 GLU A 134 -4.131 -3.134 8.798 1.00 0.00 O ATOM 0 H GLU A 134 -4.510 0.676 6.537 1.00 0.00 H new ATOM 0 HA GLU A 134 -5.412 -0.164 9.208 1.00 0.00 H new ATOM 0 HB2 GLU A 134 -2.805 1.018 8.188 1.00 0.00 H new ATOM 0 HB3 GLU A 134 -3.117 0.569 9.853 1.00 0.00 H new ATOM 0 HG2 GLU A 134 -3.076 -1.311 7.464 1.00 0.00 H new ATOM 0 HG3 GLU A 134 -1.837 -1.174 8.696 1.00 0.00 H new ATOM 1605 N GLY A 135 -6.352 2.054 9.777 1.00 0.00 N ATOM 1606 CA GLY A 135 -6.838 3.336 10.251 1.00 0.00 C ATOM 1607 C GLY A 135 -8.320 3.298 10.551 1.00 0.00 C ATOM 1608 O GLY A 135 -8.858 2.244 10.903 1.00 0.00 O ATOM 0 H GLY A 135 -6.916 1.255 10.066 1.00 0.00 H new ATOM 0 HA2 GLY A 135 -6.292 3.622 11.150 1.00 0.00 H new ATOM 0 HA3 GLY A 135 -6.638 4.101 9.500 1.00 0.00 H new ATOM 1612 N GLN A 136 -8.986 4.439 10.395 1.00 0.00 N ATOM 1613 CA GLN A 136 -10.416 4.544 10.665 1.00 0.00 C ATOM 1614 C GLN A 136 -11.220 4.195 9.415 1.00 0.00 C ATOM 1615 O GLN A 136 -11.034 4.795 8.352 1.00 0.00 O ATOM 1616 CB GLN A 136 -10.771 5.957 11.152 1.00 0.00 C ATOM 1617 CG GLN A 136 -10.164 6.312 12.508 1.00 0.00 C ATOM 1618 CD GLN A 136 -10.587 7.686 13.002 1.00 0.00 C ATOM 1619 OE1 GLN A 136 -9.913 8.688 12.754 1.00 0.00 O ATOM 1620 NE2 GLN A 136 -11.712 7.743 13.696 1.00 0.00 N ATOM 0 H GLN A 136 -8.555 5.308 10.081 1.00 0.00 H new ATOM 0 HA GLN A 136 -10.671 3.834 11.452 1.00 0.00 H new ATOM 0 HB2 GLN A 136 -10.433 6.682 10.412 1.00 0.00 H new ATOM 0 HB3 GLN A 136 -11.855 6.048 11.215 1.00 0.00 H new ATOM 0 HG2 GLN A 136 -10.459 5.561 13.241 1.00 0.00 H new ATOM 0 HG3 GLN A 136 -9.077 6.276 12.435 1.00 0.00 H new ATOM 0 HE21 GLN A 136 -12.241 6.891 13.880 1.00 0.00 H new ATOM 0 HE22 GLN A 136 -12.050 8.639 14.047 1.00 0.00 H new ATOM 1629 N MET A 137 -12.101 3.208 9.546 1.00 0.00 N ATOM 1630 CA MET A 137 -12.965 2.793 8.450 1.00 0.00 C ATOM 1631 C MET A 137 -14.104 3.799 8.281 1.00 0.00 C ATOM 1632 O MET A 137 -15.116 3.727 8.980 1.00 0.00 O ATOM 1633 CB MET A 137 -13.525 1.383 8.715 1.00 0.00 C ATOM 1634 CG MET A 137 -14.286 0.760 7.539 1.00 0.00 C ATOM 1635 SD MET A 137 -13.227 -0.191 6.416 1.00 0.00 S ATOM 1636 CE MET A 137 -12.208 1.078 5.666 1.00 0.00 C ATOM 0 H MET A 137 -12.234 2.678 10.407 1.00 0.00 H new ATOM 0 HA MET A 137 -12.383 2.762 7.529 1.00 0.00 H new ATOM 0 HB2 MET A 137 -12.699 0.725 8.984 1.00 0.00 H new ATOM 0 HB3 MET A 137 -14.191 1.428 9.577 1.00 0.00 H new ATOM 0 HG2 MET A 137 -15.069 0.108 7.927 1.00 0.00 H new ATOM 0 HG3 MET A 137 -14.781 1.552 6.976 1.00 0.00 H new ATOM 0 HE1 MET A 137 -11.988 0.805 4.634 1.00 0.00 H new ATOM 0 HE2 MET A 137 -12.739 2.029 5.684 1.00 0.00 H new ATOM 0 HE3 MET A 137 -11.276 1.172 6.223 1.00 0.00 H new ATOM 1646 N TYR A 138 -13.909 4.763 7.383 1.00 0.00 N ATOM 1647 CA TYR A 138 -14.918 5.791 7.124 1.00 0.00 C ATOM 1648 C TYR A 138 -16.170 5.249 6.401 1.00 0.00 C ATOM 1649 O TYR A 138 -17.260 5.784 6.607 1.00 0.00 O ATOM 1650 CB TYR A 138 -14.312 6.998 6.375 1.00 0.00 C ATOM 1651 CG TYR A 138 -13.528 6.661 5.112 1.00 0.00 C ATOM 1652 CD1 TYR A 138 -12.202 6.242 5.186 1.00 0.00 C ATOM 1653 CD2 TYR A 138 -14.107 6.777 3.849 1.00 0.00 C ATOM 1654 CE1 TYR A 138 -11.480 5.946 4.046 1.00 0.00 C ATOM 1655 CE2 TYR A 138 -13.389 6.479 2.704 1.00 0.00 C ATOM 1656 CZ TYR A 138 -12.076 6.065 2.808 1.00 0.00 C ATOM 1657 OH TYR A 138 -11.356 5.768 1.673 1.00 0.00 O ATOM 0 H TYR A 138 -13.062 4.855 6.822 1.00 0.00 H new ATOM 0 HA TYR A 138 -15.259 6.133 8.101 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -15.119 7.681 6.109 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -13.653 7.534 7.058 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -11.729 6.147 6.152 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -15.132 7.105 3.763 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -10.453 5.623 4.124 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -13.854 6.570 1.733 1.00 0.00 H new ATOM 0 HH TYR A 138 -11.622 4.886 1.338 1.00 0.00 H new ATOM 1667 N PRO A 139 -16.069 4.201 5.535 1.00 0.00 N ATOM 1668 CA PRO A 139 -17.261 3.564 4.954 1.00 0.00 C ATOM 1669 C PRO A 139 -18.073 2.828 6.018 1.00 0.00 C ATOM 1670 O PRO A 139 -17.964 1.607 6.166 1.00 0.00 O ATOM 1671 CB PRO A 139 -16.700 2.565 3.927 1.00 0.00 C ATOM 1672 CG PRO A 139 -15.280 2.974 3.721 1.00 0.00 C ATOM 1673 CD PRO A 139 -14.836 3.575 5.024 1.00 0.00 C ATOM 0 HA PRO A 139 -17.935 4.296 4.509 1.00 0.00 H new ATOM 0 HB2 PRO A 139 -16.766 1.542 4.296 1.00 0.00 H new ATOM 0 HB3 PRO A 139 -17.261 2.603 2.993 1.00 0.00 H new ATOM 0 HG2 PRO A 139 -14.661 2.118 3.454 1.00 0.00 H new ATOM 0 HG3 PRO A 139 -15.194 3.695 2.908 1.00 0.00 H new ATOM 0 HD2 PRO A 139 -14.454 2.818 5.709 1.00 0.00 H new ATOM 0 HD3 PRO A 139 -14.041 4.307 4.881 1.00 0.00 H new ATOM 1681 N GLY A 140 -18.848 3.580 6.782 1.00 0.00 N ATOM 1682 CA GLY A 140 -19.661 2.992 7.822 1.00 0.00 C ATOM 1683 C GLY A 140 -20.017 3.999 8.897 1.00 0.00 C ATOM 1684 O GLY A 140 -19.747 5.192 8.743 1.00 0.00 O ATOM 0 H GLY A 140 -18.928 4.593 6.699 1.00 0.00 H new ATOM 0 HA2 GLY A 140 -20.575 2.589 7.385 1.00 0.00 H new ATOM 0 HA3 GLY A 140 -19.127 2.155 8.271 1.00 0.00 H new ATOM 1688 N LYS A 141 -20.624 3.526 9.979 1.00 0.00 N ATOM 1689 CA LYS A 141 -21.038 4.393 11.082 1.00 0.00 C ATOM 1690 C LYS A 141 -20.213 4.104 12.333 1.00 0.00 C ATOM 1691 O LYS A 141 -19.798 2.965 12.568 1.00 0.00 O ATOM 1692 CB LYS A 141 -22.532 4.189 11.374 1.00 0.00 C ATOM 1693 CG LYS A 141 -23.426 4.472 10.169 1.00 0.00 C ATOM 1694 CD LYS A 141 -24.896 4.191 10.461 1.00 0.00 C ATOM 1695 CE LYS A 141 -25.771 4.486 9.247 1.00 0.00 C ATOM 1696 NZ LYS A 141 -27.202 4.179 9.502 1.00 0.00 N ATOM 0 H LYS A 141 -20.843 2.540 10.119 1.00 0.00 H new ATOM 0 HA LYS A 141 -20.869 5.430 10.792 1.00 0.00 H new ATOM 0 HB2 LYS A 141 -22.694 3.163 11.705 1.00 0.00 H new ATOM 0 HB3 LYS A 141 -22.827 4.840 12.197 1.00 0.00 H new ATOM 0 HG2 LYS A 141 -23.310 5.514 9.870 1.00 0.00 H new ATOM 0 HG3 LYS A 141 -23.102 3.860 9.327 1.00 0.00 H new ATOM 0 HD2 LYS A 141 -25.017 3.148 10.754 1.00 0.00 H new ATOM 0 HD3 LYS A 141 -25.224 4.799 11.304 1.00 0.00 H new ATOM 0 HE2 LYS A 141 -25.669 5.536 8.974 1.00 0.00 H new ATOM 0 HE3 LYS A 141 -25.421 3.900 8.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 -27.760 4.394 8.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 -27.304 3.171 9.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 -27.545 4.757 10.296 1.00 0.00 H new TER 1710 LYS A 141