USER MOD reduce.3.24.130724 H: found=0, std=0, add=430, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 431 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 VAL N :NH3+ -177:sc= 0.76 (180deg=0.667) USER MOD Single : A 5 TYR OH : rot 150:sc= -0.202 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -10.6! C(o=-11!,f=-7!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0249 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -0.237 X(o=-0.24,f=-0.24) USER MOD Single : A 27 THR OG1 : rot -137:sc= -0.0789 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 0.893 K(o=0.89,f=-0.28) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -1.94! C(o=-1.9!,f=-1.2!) USER MOD Single : A 44 ASN : amide:sc= -3.6! C(o=-3.6!,f=-6.1!) USER MOD Single : A 49 TYR OH : rot 180:sc= -0.0159 USER MOD Single : A 54 ASN : amide:sc= -1.62 K(o=-1.6,f=-5.8!) USER MOD Single : A 62 LYS NZ :NH3+ 140:sc= -0.334 (180deg=-1.52!) USER MOD Single : A 64 HIS : no HE2:sc= -2.2 K(o=-2.2,f=-9.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -1.617 -13.274 -5.337 1.00 0.00 N ATOM 2 CA VAL A 1 -0.846 -12.112 -4.802 1.00 0.00 C ATOM 3 C VAL A 1 -1.102 -10.946 -5.770 1.00 0.00 C ATOM 4 O VAL A 1 -1.619 -11.180 -6.846 1.00 0.00 O ATOM 5 CB VAL A 1 0.698 -12.412 -4.763 1.00 0.00 C ATOM 6 CG1 VAL A 1 1.021 -13.446 -3.709 1.00 0.00 C ATOM 7 CG2 VAL A 1 1.239 -12.837 -6.109 1.00 0.00 C ATOM 0 H1 VAL A 1 -1.521 -14.082 -4.690 1.00 0.00 H new ATOM 0 H2 VAL A 1 -2.621 -13.016 -5.421 1.00 0.00 H new ATOM 0 H3 VAL A 1 -1.247 -13.534 -6.273 1.00 0.00 H new ATOM 0 HA VAL A 1 -1.162 -11.890 -3.783 1.00 0.00 H new ATOM 0 HB VAL A 1 1.193 -11.477 -4.500 1.00 0.00 H new ATOM 0 HG11 VAL A 1 2.094 -13.636 -3.702 1.00 0.00 H new ATOM 0 HG12 VAL A 1 0.711 -13.078 -2.731 1.00 0.00 H new ATOM 0 HG13 VAL A 1 0.490 -14.372 -3.933 1.00 0.00 H new ATOM 0 HG21 VAL A 1 2.308 -13.032 -6.026 1.00 0.00 H new ATOM 0 HG22 VAL A 1 0.729 -13.743 -6.436 1.00 0.00 H new ATOM 0 HG23 VAL A 1 1.070 -12.043 -6.836 1.00 0.00 H new ATOM 19 N ARG A 2 -0.747 -9.752 -5.372 1.00 0.00 N ATOM 20 CA ARG A 2 -0.945 -8.558 -6.226 1.00 0.00 C ATOM 21 C ARG A 2 0.020 -7.452 -5.849 1.00 0.00 C ATOM 22 O ARG A 2 0.654 -7.500 -4.813 1.00 0.00 O ATOM 23 CB ARG A 2 -2.433 -8.089 -6.129 1.00 0.00 C ATOM 24 CG ARG A 2 -3.288 -8.793 -5.028 1.00 0.00 C ATOM 25 CD ARG A 2 -3.763 -7.713 -4.118 1.00 0.00 C ATOM 26 NE ARG A 2 -5.270 -7.820 -4.022 1.00 0.00 N ATOM 27 CZ ARG A 2 -5.858 -7.918 -2.866 1.00 0.00 C ATOM 28 NH1 ARG A 2 -5.277 -8.592 -1.930 1.00 0.00 N ATOM 29 NH2 ARG A 2 -7.000 -7.334 -2.674 1.00 0.00 N ATOM 0 H ARG A 2 -0.318 -9.557 -4.467 1.00 0.00 H new ATOM 0 HA ARG A 2 -0.733 -8.819 -7.263 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -2.446 -7.015 -5.943 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -2.911 -8.251 -7.095 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -4.129 -9.327 -5.470 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -2.694 -9.527 -4.484 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -3.309 -7.816 -3.132 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -3.473 -6.735 -4.502 1.00 0.00 H new ATOM 0 HE ARG A 2 -5.831 -7.815 -4.874 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -4.375 -9.035 -2.105 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -5.720 -8.682 -1.016 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -7.433 -6.801 -3.428 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -7.465 -7.408 -1.769 1.00 0.00 H new ATOM 43 N ASP A 3 0.111 -6.485 -6.708 1.00 0.00 N ATOM 44 CA ASP A 3 1.018 -5.329 -6.467 1.00 0.00 C ATOM 45 C ASP A 3 0.030 -4.173 -6.509 1.00 0.00 C ATOM 46 O ASP A 3 -0.762 -4.083 -7.434 1.00 0.00 O ATOM 47 CB ASP A 3 2.065 -5.312 -7.597 1.00 0.00 C ATOM 48 CG ASP A 3 3.028 -6.499 -7.389 1.00 0.00 C ATOM 49 OD1 ASP A 3 2.570 -7.623 -7.238 1.00 0.00 O ATOM 50 OD2 ASP A 3 4.211 -6.217 -7.380 1.00 0.00 O ATOM 0 H ASP A 3 -0.412 -6.442 -7.583 1.00 0.00 H new ATOM 0 HA ASP A 3 1.597 -5.324 -5.544 1.00 0.00 H new ATOM 0 HB2 ASP A 3 1.576 -5.387 -8.568 1.00 0.00 H new ATOM 0 HB3 ASP A 3 2.616 -4.371 -7.589 1.00 0.00 H new ATOM 55 N ALA A 4 0.112 -3.328 -5.509 1.00 0.00 N ATOM 56 CA ALA A 4 -0.795 -2.134 -5.376 1.00 0.00 C ATOM 57 C ALA A 4 -0.509 -1.314 -4.091 1.00 0.00 C ATOM 58 O ALA A 4 0.414 -1.588 -3.342 1.00 0.00 O ATOM 59 CB ALA A 4 -2.227 -2.612 -5.327 1.00 0.00 C ATOM 0 H ALA A 4 0.791 -3.417 -4.753 1.00 0.00 H new ATOM 0 HA ALA A 4 -0.616 -1.488 -6.235 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -2.894 -1.755 -5.231 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -2.462 -3.153 -6.244 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -2.361 -3.274 -4.471 1.00 0.00 H new ATOM 65 N TYR A 5 -1.337 -0.320 -3.882 1.00 0.00 N ATOM 66 CA TYR A 5 -1.225 0.573 -2.692 1.00 0.00 C ATOM 67 C TYR A 5 -1.948 -0.240 -1.607 1.00 0.00 C ATOM 68 O TYR A 5 -3.131 -0.500 -1.740 1.00 0.00 O ATOM 69 CB TYR A 5 -1.964 1.857 -3.011 1.00 0.00 C ATOM 70 CG TYR A 5 -1.294 2.685 -4.123 1.00 0.00 C ATOM 71 CD1 TYR A 5 0.024 3.077 -3.997 1.00 0.00 C ATOM 72 CD2 TYR A 5 -1.992 3.070 -5.254 1.00 0.00 C ATOM 73 CE1 TYR A 5 0.629 3.840 -4.967 1.00 0.00 C ATOM 74 CE2 TYR A 5 -1.375 3.836 -6.229 1.00 0.00 C ATOM 75 CZ TYR A 5 -0.058 4.227 -6.088 1.00 0.00 C ATOM 76 OH TYR A 5 0.587 4.988 -7.045 1.00 0.00 O ATOM 0 H TYR A 5 -2.108 -0.086 -4.507 1.00 0.00 H new ATOM 0 HA TYR A 5 -0.213 0.848 -2.396 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -2.984 1.616 -3.311 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -2.032 2.463 -2.107 1.00 0.00 H new ATOM 0 HD1 TYR A 5 0.587 2.780 -3.125 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -3.023 2.772 -5.377 1.00 0.00 H new ATOM 0 HE1 TYR A 5 1.660 4.139 -4.844 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -1.929 4.130 -7.108 1.00 0.00 H new ATOM 0 HH TYR A 5 0.207 4.795 -7.927 1.00 0.00 H new ATOM 86 N ILE A 6 -1.252 -0.597 -0.563 1.00 0.00 N ATOM 87 CA ILE A 6 -1.926 -1.408 0.506 1.00 0.00 C ATOM 88 C ILE A 6 -2.848 -0.576 1.374 1.00 0.00 C ATOM 89 O ILE A 6 -2.535 0.541 1.756 1.00 0.00 O ATOM 90 CB ILE A 6 -0.843 -2.088 1.368 1.00 0.00 C ATOM 91 CG1 ILE A 6 -1.487 -2.836 2.572 1.00 0.00 C ATOM 92 CG2 ILE A 6 0.208 -1.119 1.842 1.00 0.00 C ATOM 93 CD1 ILE A 6 -0.944 -4.239 2.594 1.00 0.00 C ATOM 0 H ILE A 6 -0.271 -0.373 -0.400 1.00 0.00 H new ATOM 0 HA ILE A 6 -2.553 -2.157 0.021 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.340 -2.815 0.731 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -1.256 -2.324 3.506 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -2.573 -2.849 2.475 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.946 -1.649 2.444 1.00 0.00 H new ATOM 0 HG22 ILE A 6 0.700 -0.666 0.981 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -0.260 -0.340 2.444 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -1.381 -4.785 3.430 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -1.197 -4.742 1.661 1.00 0.00 H new ATOM 0 HD13 ILE A 6 0.140 -4.208 2.707 1.00 0.00 H new ATOM 105 N ALA A 7 -3.969 -1.180 1.683 1.00 0.00 N ATOM 106 CA ALA A 7 -4.964 -0.453 2.522 1.00 0.00 C ATOM 107 C ALA A 7 -4.833 -0.766 3.998 1.00 0.00 C ATOM 108 O ALA A 7 -4.208 -1.729 4.403 1.00 0.00 O ATOM 109 CB ALA A 7 -6.366 -0.822 2.116 1.00 0.00 C ATOM 0 H ALA A 7 -4.232 -2.123 1.397 1.00 0.00 H new ATOM 0 HA ALA A 7 -4.764 0.606 2.362 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -7.079 -0.282 2.739 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -6.524 -0.557 1.071 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -6.512 -1.895 2.244 1.00 0.00 H new ATOM 115 N LYS A 8 -5.469 0.084 4.758 1.00 0.00 N ATOM 116 CA LYS A 8 -5.430 -0.082 6.235 1.00 0.00 C ATOM 117 C LYS A 8 -6.712 -0.626 6.872 1.00 0.00 C ATOM 118 O LYS A 8 -6.736 -1.763 7.300 1.00 0.00 O ATOM 119 CB LYS A 8 -5.044 1.304 6.817 1.00 0.00 C ATOM 120 CG LYS A 8 -5.955 2.477 6.320 1.00 0.00 C ATOM 121 CD LYS A 8 -6.771 3.150 7.485 1.00 0.00 C ATOM 122 CE LYS A 8 -5.846 3.941 8.469 1.00 0.00 C ATOM 123 NZ LYS A 8 -6.669 4.652 9.513 1.00 0.00 N ATOM 0 H LYS A 8 -6.010 0.880 4.421 1.00 0.00 H new ATOM 0 HA LYS A 8 -4.699 -0.854 6.476 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -5.091 1.256 7.905 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -4.010 1.523 6.552 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -5.336 3.231 5.833 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -6.648 2.100 5.568 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -7.514 3.827 7.063 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -7.315 2.383 8.036 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -5.149 3.256 8.952 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -5.249 4.664 7.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -6.039 5.172 10.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -7.317 5.320 9.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -7.220 3.956 10.054 1.00 0.00 H new ATOM 137 N ASN A 9 -7.739 0.179 6.932 1.00 0.00 N ATOM 138 CA ASN A 9 -9.018 -0.292 7.547 1.00 0.00 C ATOM 139 C ASN A 9 -10.295 0.220 6.848 1.00 0.00 C ATOM 140 O ASN A 9 -11.212 -0.540 6.623 1.00 0.00 O ATOM 141 CB ASN A 9 -8.993 0.142 9.018 1.00 0.00 C ATOM 142 CG ASN A 9 -9.728 -0.888 9.870 1.00 0.00 C ATOM 143 OD1 ASN A 9 -10.924 -0.844 10.056 1.00 0.00 O ATOM 144 ND2 ASN A 9 -9.041 -1.849 10.412 1.00 0.00 N ATOM 0 H ASN A 9 -7.750 1.138 6.584 1.00 0.00 H new ATOM 0 HA ASN A 9 -9.069 -1.375 7.437 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -7.963 0.243 9.360 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -9.462 1.120 9.127 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -9.510 -2.551 10.984 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -8.033 -1.901 10.265 1.00 0.00 H new ATOM 151 N TYR A 10 -10.334 1.484 6.497 1.00 0.00 N ATOM 152 CA TYR A 10 -11.540 2.056 5.833 1.00 0.00 C ATOM 153 C TYR A 10 -11.274 2.663 4.459 1.00 0.00 C ATOM 154 O TYR A 10 -11.421 3.849 4.231 1.00 0.00 O ATOM 155 CB TYR A 10 -12.143 3.121 6.786 1.00 0.00 C ATOM 156 CG TYR A 10 -13.140 2.472 7.764 1.00 0.00 C ATOM 157 CD1 TYR A 10 -14.332 1.976 7.275 1.00 0.00 C ATOM 158 CD2 TYR A 10 -12.880 2.368 9.115 1.00 0.00 C ATOM 159 CE1 TYR A 10 -15.247 1.389 8.117 1.00 0.00 C ATOM 160 CE2 TYR A 10 -13.800 1.778 9.960 1.00 0.00 C ATOM 161 CZ TYR A 10 -14.987 1.286 9.463 1.00 0.00 C ATOM 162 OH TYR A 10 -15.910 0.703 10.308 1.00 0.00 O ATOM 0 H TYR A 10 -9.573 2.146 6.645 1.00 0.00 H new ATOM 0 HA TYR A 10 -12.235 1.237 5.647 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -11.345 3.611 7.344 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -12.646 3.894 6.205 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -14.548 2.050 6.219 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -11.952 2.750 9.514 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -16.175 1.007 7.719 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -13.588 1.702 11.016 1.00 0.00 H new ATOM 0 HH TYR A 10 -15.565 0.712 11.225 1.00 0.00 H new ATOM 172 N ASN A 11 -10.852 1.813 3.564 1.00 0.00 N ATOM 173 CA ASN A 11 -10.570 2.278 2.149 1.00 0.00 C ATOM 174 C ASN A 11 -9.379 3.226 2.025 1.00 0.00 C ATOM 175 O ASN A 11 -9.222 3.885 1.014 1.00 0.00 O ATOM 176 CB ASN A 11 -11.825 3.024 1.589 1.00 0.00 C ATOM 177 CG ASN A 11 -12.775 2.175 0.785 1.00 0.00 C ATOM 178 OD1 ASN A 11 -13.305 1.169 1.203 1.00 0.00 O ATOM 179 ND2 ASN A 11 -13.003 2.603 -0.413 1.00 0.00 N ATOM 0 H ASN A 11 -10.687 0.821 3.736 1.00 0.00 H new ATOM 0 HA ASN A 11 -10.332 1.376 1.585 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -12.372 3.459 2.426 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -11.487 3.851 0.965 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -13.639 2.092 -1.025 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -12.547 3.452 -0.747 1.00 0.00 H new ATOM 186 N CYS A 12 -8.560 3.257 3.032 1.00 0.00 N ATOM 187 CA CYS A 12 -7.364 4.142 3.056 1.00 0.00 C ATOM 188 C CYS A 12 -6.130 3.281 3.038 1.00 0.00 C ATOM 189 O CYS A 12 -6.262 2.080 3.072 1.00 0.00 O ATOM 190 CB CYS A 12 -7.457 4.962 4.316 1.00 0.00 C ATOM 191 SG CYS A 12 -9.036 5.790 4.575 1.00 0.00 S ATOM 0 H CYS A 12 -8.673 2.686 3.870 1.00 0.00 H new ATOM 0 HA CYS A 12 -7.315 4.806 2.193 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -7.261 4.312 5.169 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -6.668 5.714 4.300 1.00 0.00 H new ATOM 196 N VAL A 13 -4.995 3.904 3.009 1.00 0.00 N ATOM 197 CA VAL A 13 -3.696 3.181 2.969 1.00 0.00 C ATOM 198 C VAL A 13 -2.738 3.704 4.038 1.00 0.00 C ATOM 199 O VAL A 13 -3.146 4.412 4.937 1.00 0.00 O ATOM 200 CB VAL A 13 -3.199 3.381 1.516 1.00 0.00 C ATOM 201 CG1 VAL A 13 -4.155 2.738 0.538 1.00 0.00 C ATOM 202 CG2 VAL A 13 -3.160 4.855 1.190 1.00 0.00 C ATOM 0 H VAL A 13 -4.907 4.920 3.011 1.00 0.00 H new ATOM 0 HA VAL A 13 -3.779 2.120 3.204 1.00 0.00 H new ATOM 0 HB VAL A 13 -2.209 2.931 1.436 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -3.791 2.888 -0.478 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -4.224 1.670 0.745 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -5.141 3.192 0.641 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.810 4.992 0.167 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.160 5.277 1.291 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.482 5.362 1.877 1.00 0.00 H new ATOM 212 N TYR A 14 -1.501 3.328 3.882 1.00 0.00 N ATOM 213 CA TYR A 14 -0.379 3.707 4.783 1.00 0.00 C ATOM 214 C TYR A 14 0.394 4.907 4.185 1.00 0.00 C ATOM 215 O TYR A 14 1.327 4.725 3.421 1.00 0.00 O ATOM 216 CB TYR A 14 0.568 2.548 4.896 1.00 0.00 C ATOM 217 CG TYR A 14 0.136 1.432 5.874 1.00 0.00 C ATOM 218 CD1 TYR A 14 -0.876 0.519 5.615 1.00 0.00 C ATOM 219 CD2 TYR A 14 0.820 1.336 7.067 1.00 0.00 C ATOM 220 CE1 TYR A 14 -1.176 -0.469 6.541 1.00 0.00 C ATOM 221 CE2 TYR A 14 0.522 0.357 7.985 1.00 0.00 C ATOM 222 CZ TYR A 14 -0.476 -0.552 7.735 1.00 0.00 C ATOM 223 OH TYR A 14 -0.727 -1.533 8.677 1.00 0.00 O ATOM 0 H TYR A 14 -1.206 2.731 3.110 1.00 0.00 H new ATOM 0 HA TYR A 14 -0.780 3.975 5.760 1.00 0.00 H new ATOM 0 HB2 TYR A 14 0.699 2.110 3.907 1.00 0.00 H new ATOM 0 HB3 TYR A 14 1.542 2.925 5.209 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -1.431 0.578 4.691 1.00 0.00 H new ATOM 0 HD2 TYR A 14 1.606 2.044 7.285 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -1.961 -1.180 6.330 1.00 0.00 H new ATOM 0 HE2 TYR A 14 1.077 0.303 8.910 1.00 0.00 H new ATOM 0 HH TYR A 14 -0.126 -1.414 9.442 1.00 0.00 H new ATOM 233 N GLU A 15 -0.012 6.096 4.530 1.00 0.00 N ATOM 234 CA GLU A 15 0.687 7.296 3.995 1.00 0.00 C ATOM 235 C GLU A 15 2.155 7.389 4.451 1.00 0.00 C ATOM 236 O GLU A 15 2.504 8.017 5.431 1.00 0.00 O ATOM 237 CB GLU A 15 -0.094 8.518 4.452 1.00 0.00 C ATOM 238 CG GLU A 15 -1.409 8.562 3.667 1.00 0.00 C ATOM 239 CD GLU A 15 -2.430 9.382 4.453 1.00 0.00 C ATOM 240 OE1 GLU A 15 -2.848 8.840 5.463 1.00 0.00 O ATOM 241 OE2 GLU A 15 -2.724 10.479 4.012 1.00 0.00 O ATOM 0 H GLU A 15 -0.794 6.288 5.156 1.00 0.00 H new ATOM 0 HA GLU A 15 0.721 7.230 2.908 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.291 8.465 5.523 1.00 0.00 H new ATOM 0 HB3 GLU A 15 0.484 9.426 4.279 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -1.246 9.005 2.685 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -1.784 7.552 3.503 1.00 0.00 H new ATOM 248 N CYS A 16 2.980 6.729 3.692 1.00 0.00 N ATOM 249 CA CYS A 16 4.443 6.692 3.953 1.00 0.00 C ATOM 250 C CYS A 16 5.194 7.728 3.084 1.00 0.00 C ATOM 251 O CYS A 16 4.763 8.107 2.014 1.00 0.00 O ATOM 252 CB CYS A 16 4.883 5.260 3.641 1.00 0.00 C ATOM 253 SG CYS A 16 4.202 4.581 2.108 1.00 0.00 S ATOM 0 H CYS A 16 2.690 6.195 2.873 1.00 0.00 H new ATOM 0 HA CYS A 16 4.674 6.956 4.985 1.00 0.00 H new ATOM 0 HB2 CYS A 16 5.971 5.232 3.584 1.00 0.00 H new ATOM 0 HB3 CYS A 16 4.591 4.615 4.470 1.00 0.00 H new ATOM 258 N PHE A 17 6.317 8.162 3.597 1.00 0.00 N ATOM 259 CA PHE A 17 7.193 9.174 2.891 1.00 0.00 C ATOM 260 C PHE A 17 8.611 8.613 2.699 1.00 0.00 C ATOM 261 O PHE A 17 9.521 9.308 2.282 1.00 0.00 O ATOM 262 CB PHE A 17 7.285 10.472 3.705 1.00 0.00 C ATOM 263 CG PHE A 17 6.253 11.516 3.240 1.00 0.00 C ATOM 264 CD1 PHE A 17 6.459 12.227 2.069 1.00 0.00 C ATOM 265 CD2 PHE A 17 5.113 11.768 3.975 1.00 0.00 C ATOM 266 CE1 PHE A 17 5.546 13.173 1.642 1.00 0.00 C ATOM 267 CE2 PHE A 17 4.200 12.713 3.550 1.00 0.00 C ATOM 268 CZ PHE A 17 4.414 13.416 2.385 1.00 0.00 C ATOM 0 H PHE A 17 6.681 7.855 4.499 1.00 0.00 H new ATOM 0 HA PHE A 17 6.744 9.383 1.920 1.00 0.00 H new ATOM 0 HB2 PHE A 17 7.127 10.251 4.760 1.00 0.00 H new ATOM 0 HB3 PHE A 17 8.288 10.888 3.613 1.00 0.00 H new ATOM 0 HD1 PHE A 17 7.346 12.040 1.481 1.00 0.00 H new ATOM 0 HD2 PHE A 17 4.933 11.222 4.889 1.00 0.00 H new ATOM 0 HE1 PHE A 17 5.721 13.720 0.727 1.00 0.00 H new ATOM 0 HE2 PHE A 17 3.312 12.902 4.135 1.00 0.00 H new ATOM 0 HZ PHE A 17 3.697 14.154 2.057 1.00 0.00 H new ATOM 278 N ARG A 18 8.748 7.355 3.023 1.00 0.00 N ATOM 279 CA ARG A 18 10.055 6.635 2.903 1.00 0.00 C ATOM 280 C ARG A 18 9.756 5.317 2.215 1.00 0.00 C ATOM 281 O ARG A 18 8.609 4.949 2.067 1.00 0.00 O ATOM 282 CB ARG A 18 10.698 6.303 4.291 1.00 0.00 C ATOM 283 CG ARG A 18 10.812 7.530 5.235 1.00 0.00 C ATOM 284 CD ARG A 18 11.388 8.785 4.489 1.00 0.00 C ATOM 285 NE ARG A 18 12.373 9.582 5.324 1.00 0.00 N ATOM 286 CZ ARG A 18 13.414 10.147 4.761 1.00 0.00 C ATOM 287 NH1 ARG A 18 13.323 10.412 3.487 1.00 0.00 N ATOM 288 NH2 ARG A 18 14.480 10.423 5.469 1.00 0.00 N ATOM 0 H ARG A 18 7.986 6.777 3.377 1.00 0.00 H new ATOM 0 HA ARG A 18 10.754 7.271 2.359 1.00 0.00 H new ATOM 0 HB2 ARG A 18 10.104 5.532 4.782 1.00 0.00 H new ATOM 0 HB3 ARG A 18 11.692 5.885 4.131 1.00 0.00 H new ATOM 0 HG2 ARG A 18 9.829 7.768 5.643 1.00 0.00 H new ATOM 0 HG3 ARG A 18 11.455 7.281 6.079 1.00 0.00 H new ATOM 0 HD2 ARG A 18 11.880 8.460 3.572 1.00 0.00 H new ATOM 0 HD3 ARG A 18 10.563 9.434 4.195 1.00 0.00 H new ATOM 0 HE ARG A 18 12.225 9.679 6.329 1.00 0.00 H new ATOM 0 HH11 ARG A 18 12.470 10.180 2.977 1.00 0.00 H new ATOM 0 HH12 ARG A 18 14.104 10.851 3.000 1.00 0.00 H new ATOM 0 HH21 ARG A 18 14.504 10.199 6.464 1.00 0.00 H new ATOM 0 HH22 ARG A 18 15.287 10.862 5.026 1.00 0.00 H new ATOM 302 N ASP A 19 10.810 4.653 1.849 1.00 0.00 N ATOM 303 CA ASP A 19 10.676 3.342 1.153 1.00 0.00 C ATOM 304 C ASP A 19 10.848 2.217 2.158 1.00 0.00 C ATOM 305 O ASP A 19 10.012 1.350 2.301 1.00 0.00 O ATOM 306 CB ASP A 19 11.744 3.297 0.073 1.00 0.00 C ATOM 307 CG ASP A 19 11.310 2.360 -1.073 1.00 0.00 C ATOM 308 OD1 ASP A 19 10.140 2.428 -1.419 1.00 0.00 O ATOM 309 OD2 ASP A 19 12.174 1.642 -1.548 1.00 0.00 O ATOM 0 H ASP A 19 11.770 4.962 2.002 1.00 0.00 H new ATOM 0 HA ASP A 19 9.692 3.224 0.699 1.00 0.00 H new ATOM 0 HB2 ASP A 19 11.920 4.300 -0.316 1.00 0.00 H new ATOM 0 HB3 ASP A 19 12.686 2.950 0.498 1.00 0.00 H new ATOM 314 N SER A 20 11.961 2.269 2.837 1.00 0.00 N ATOM 315 CA SER A 20 12.324 1.260 3.884 1.00 0.00 C ATOM 316 C SER A 20 11.101 0.751 4.660 1.00 0.00 C ATOM 317 O SER A 20 10.822 -0.433 4.696 1.00 0.00 O ATOM 318 CB SER A 20 13.372 1.921 4.853 1.00 0.00 C ATOM 319 OG SER A 20 12.836 3.213 5.164 1.00 0.00 O ATOM 0 H SER A 20 12.663 2.997 2.706 1.00 0.00 H new ATOM 0 HA SER A 20 12.752 0.384 3.398 1.00 0.00 H new ATOM 0 HB2 SER A 20 13.506 1.323 5.755 1.00 0.00 H new ATOM 0 HB3 SER A 20 14.349 2.004 4.378 1.00 0.00 H new ATOM 0 HG SER A 20 13.445 3.682 5.772 1.00 0.00 H new ATOM 325 N TYR A 21 10.426 1.709 5.251 1.00 0.00 N ATOM 326 CA TYR A 21 9.201 1.407 6.062 1.00 0.00 C ATOM 327 C TYR A 21 8.346 0.400 5.326 1.00 0.00 C ATOM 328 O TYR A 21 7.853 -0.545 5.902 1.00 0.00 O ATOM 329 CB TYR A 21 8.371 2.697 6.293 1.00 0.00 C ATOM 330 CG TYR A 21 7.176 2.423 7.234 1.00 0.00 C ATOM 331 CD1 TYR A 21 7.364 1.841 8.472 1.00 0.00 C ATOM 332 CD2 TYR A 21 5.896 2.768 6.851 1.00 0.00 C ATOM 333 CE1 TYR A 21 6.294 1.605 9.306 1.00 0.00 C ATOM 334 CE2 TYR A 21 4.827 2.533 7.683 1.00 0.00 C ATOM 335 CZ TYR A 21 5.019 1.954 8.911 1.00 0.00 C ATOM 336 OH TYR A 21 3.926 1.730 9.716 1.00 0.00 O ATOM 0 H TYR A 21 10.674 2.697 5.206 1.00 0.00 H new ATOM 0 HA TYR A 21 9.512 1.004 7.026 1.00 0.00 H new ATOM 0 HB2 TYR A 21 9.007 3.471 6.722 1.00 0.00 H new ATOM 0 HB3 TYR A 21 8.007 3.076 5.338 1.00 0.00 H new ATOM 0 HD1 TYR A 21 8.360 1.568 8.789 1.00 0.00 H new ATOM 0 HD2 TYR A 21 5.732 3.227 5.887 1.00 0.00 H new ATOM 0 HE1 TYR A 21 6.453 1.146 10.271 1.00 0.00 H new ATOM 0 HE2 TYR A 21 3.831 2.806 7.368 1.00 0.00 H new ATOM 0 HH TYR A 21 3.116 2.045 9.263 1.00 0.00 H new ATOM 346 N CYS A 22 8.218 0.638 4.053 1.00 0.00 N ATOM 347 CA CYS A 22 7.394 -0.278 3.238 1.00 0.00 C ATOM 348 C CYS A 22 8.059 -1.619 3.131 1.00 0.00 C ATOM 349 O CYS A 22 7.431 -2.631 3.366 1.00 0.00 O ATOM 350 CB CYS A 22 7.195 0.226 1.837 1.00 0.00 C ATOM 351 SG CYS A 22 5.533 -0.259 1.345 1.00 0.00 S ATOM 0 H CYS A 22 8.644 1.417 3.551 1.00 0.00 H new ATOM 0 HA CYS A 22 6.429 -0.347 3.740 1.00 0.00 H new ATOM 0 HB2 CYS A 22 7.311 1.309 1.795 1.00 0.00 H new ATOM 0 HB3 CYS A 22 7.938 -0.200 1.163 1.00 0.00 H new ATOM 356 N ASN A 23 9.313 -1.557 2.769 1.00 0.00 N ATOM 357 CA ASN A 23 10.133 -2.810 2.613 1.00 0.00 C ATOM 358 C ASN A 23 9.955 -3.723 3.846 1.00 0.00 C ATOM 359 O ASN A 23 10.269 -4.893 3.787 1.00 0.00 O ATOM 360 CB ASN A 23 11.639 -2.504 2.486 1.00 0.00 C ATOM 361 CG ASN A 23 12.354 -3.832 2.242 1.00 0.00 C ATOM 362 OD1 ASN A 23 12.238 -4.463 1.211 1.00 0.00 O ATOM 363 ND2 ASN A 23 13.107 -4.301 3.177 1.00 0.00 N ATOM 0 H ASN A 23 9.814 -0.690 2.572 1.00 0.00 H new ATOM 0 HA ASN A 23 9.782 -3.298 1.704 1.00 0.00 H new ATOM 0 HB2 ASN A 23 11.822 -1.812 1.664 1.00 0.00 H new ATOM 0 HB3 ASN A 23 12.012 -2.028 3.393 1.00 0.00 H new ATOM 0 HD21 ASN A 23 13.593 -5.188 3.044 1.00 0.00 H new ATOM 0 HD22 ASN A 23 13.217 -3.785 4.050 1.00 0.00 H new ATOM 370 N ASP A 24 9.478 -3.147 4.921 1.00 0.00 N ATOM 371 CA ASP A 24 9.231 -3.868 6.193 1.00 0.00 C ATOM 372 C ASP A 24 7.714 -4.137 6.280 1.00 0.00 C ATOM 373 O ASP A 24 7.238 -5.241 6.459 1.00 0.00 O ATOM 374 CB ASP A 24 9.689 -2.973 7.330 1.00 0.00 C ATOM 375 CG ASP A 24 10.812 -3.681 8.078 1.00 0.00 C ATOM 376 OD1 ASP A 24 11.870 -3.761 7.478 1.00 0.00 O ATOM 377 OD2 ASP A 24 10.537 -4.097 9.190 1.00 0.00 O ATOM 0 H ASP A 24 9.241 -2.156 4.962 1.00 0.00 H new ATOM 0 HA ASP A 24 9.771 -4.813 6.248 1.00 0.00 H new ATOM 0 HB2 ASP A 24 10.037 -2.015 6.942 1.00 0.00 H new ATOM 0 HB3 ASP A 24 8.859 -2.762 8.004 1.00 0.00 H new ATOM 382 N LEU A 25 6.970 -3.081 6.162 1.00 0.00 N ATOM 383 CA LEU A 25 5.481 -3.123 6.212 1.00 0.00 C ATOM 384 C LEU A 25 4.852 -4.198 5.340 1.00 0.00 C ATOM 385 O LEU A 25 4.129 -5.058 5.800 1.00 0.00 O ATOM 386 CB LEU A 25 4.937 -1.745 5.758 1.00 0.00 C ATOM 387 CG LEU A 25 3.386 -1.711 5.620 1.00 0.00 C ATOM 388 CD1 LEU A 25 2.770 -1.720 6.993 1.00 0.00 C ATOM 389 CD2 LEU A 25 2.947 -0.467 4.887 1.00 0.00 C ATOM 0 H LEU A 25 7.349 -2.144 6.026 1.00 0.00 H new ATOM 0 HA LEU A 25 5.213 -3.364 7.241 1.00 0.00 H new ATOM 0 HB2 LEU A 25 5.248 -0.985 6.475 1.00 0.00 H new ATOM 0 HB3 LEU A 25 5.386 -1.482 4.800 1.00 0.00 H new ATOM 0 HG LEU A 25 3.062 -2.585 5.055 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.684 -1.696 6.905 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.071 -2.625 7.521 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.108 -0.846 7.549 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.861 -0.460 4.800 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.272 0.415 5.439 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.391 -0.456 3.892 1.00 0.00 H new ATOM 401 N CYS A 26 5.150 -4.115 4.081 1.00 0.00 N ATOM 402 CA CYS A 26 4.587 -5.097 3.109 1.00 0.00 C ATOM 403 C CYS A 26 5.007 -6.514 3.397 1.00 0.00 C ATOM 404 O CYS A 26 4.205 -7.424 3.534 1.00 0.00 O ATOM 405 CB CYS A 26 5.039 -4.648 1.739 1.00 0.00 C ATOM 406 SG CYS A 26 4.372 -3.049 1.246 1.00 0.00 S ATOM 0 H CYS A 26 5.762 -3.407 3.675 1.00 0.00 H new ATOM 0 HA CYS A 26 3.500 -5.113 3.182 1.00 0.00 H new ATOM 0 HB2 CYS A 26 6.128 -4.598 1.723 1.00 0.00 H new ATOM 0 HB3 CYS A 26 4.743 -5.397 1.005 1.00 0.00 H new ATOM 411 N THR A 27 6.283 -6.677 3.490 1.00 0.00 N ATOM 412 CA THR A 27 6.850 -8.011 3.760 1.00 0.00 C ATOM 413 C THR A 27 6.127 -8.517 5.010 1.00 0.00 C ATOM 414 O THR A 27 5.674 -9.642 5.024 1.00 0.00 O ATOM 415 CB THR A 27 8.340 -7.762 3.891 1.00 0.00 C ATOM 416 OG1 THR A 27 8.399 -6.704 4.830 1.00 0.00 O ATOM 417 CG2 THR A 27 8.857 -7.131 2.618 1.00 0.00 C ATOM 0 H THR A 27 6.970 -5.930 3.389 1.00 0.00 H new ATOM 0 HA THR A 27 6.718 -8.786 3.004 1.00 0.00 H new ATOM 0 HB THR A 27 8.886 -8.674 4.133 1.00 0.00 H new ATOM 0 HG1 THR A 27 9.065 -6.046 4.540 1.00 0.00 H new ATOM 0 HG21 THR A 27 9.928 -6.951 2.710 1.00 0.00 H new ATOM 0 HG22 THR A 27 8.672 -7.801 1.779 1.00 0.00 H new ATOM 0 HG23 THR A 27 8.344 -6.185 2.446 1.00 0.00 H new ATOM 425 N LYS A 28 6.017 -7.688 6.020 1.00 0.00 N ATOM 426 CA LYS A 28 5.312 -8.092 7.279 1.00 0.00 C ATOM 427 C LYS A 28 3.934 -8.716 6.979 1.00 0.00 C ATOM 428 O LYS A 28 3.490 -9.581 7.705 1.00 0.00 O ATOM 429 CB LYS A 28 5.147 -6.855 8.180 1.00 0.00 C ATOM 430 CG LYS A 28 4.541 -7.228 9.589 1.00 0.00 C ATOM 431 CD LYS A 28 2.989 -7.135 9.619 1.00 0.00 C ATOM 432 CE LYS A 28 2.535 -5.643 9.652 1.00 0.00 C ATOM 433 NZ LYS A 28 1.076 -5.538 9.349 1.00 0.00 N ATOM 0 H LYS A 28 6.389 -6.738 6.026 1.00 0.00 H new ATOM 0 HA LYS A 28 5.911 -8.848 7.787 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.116 -6.374 8.317 1.00 0.00 H new ATOM 0 HB3 LYS A 28 4.499 -6.131 7.687 1.00 0.00 H new ATOM 0 HG2 LYS A 28 4.845 -8.241 9.854 1.00 0.00 H new ATOM 0 HG3 LYS A 28 4.955 -6.562 10.346 1.00 0.00 H new ATOM 0 HD2 LYS A 28 2.572 -7.630 8.742 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.604 -7.659 10.494 1.00 0.00 H new ATOM 0 HE2 LYS A 28 2.741 -5.215 10.633 1.00 0.00 H new ATOM 0 HE3 LYS A 28 3.107 -5.066 8.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 0.787 -4.539 9.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.889 -5.929 8.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.535 -6.073 10.058 1.00 0.00 H new ATOM 447 N ASN A 29 3.277 -8.274 5.932 1.00 0.00 N ATOM 448 CA ASN A 29 1.923 -8.858 5.605 1.00 0.00 C ATOM 449 C ASN A 29 2.090 -10.122 4.744 1.00 0.00 C ATOM 450 O ASN A 29 1.190 -10.932 4.620 1.00 0.00 O ATOM 451 CB ASN A 29 1.066 -7.841 4.818 1.00 0.00 C ATOM 452 CG ASN A 29 -0.412 -8.145 5.092 1.00 0.00 C ATOM 453 OD1 ASN A 29 -1.146 -7.267 5.491 1.00 0.00 O ATOM 454 ND2 ASN A 29 -0.928 -9.328 4.916 1.00 0.00 N ATOM 0 H ASN A 29 3.607 -7.548 5.296 1.00 0.00 H new ATOM 0 HA ASN A 29 1.427 -9.104 6.544 1.00 0.00 H new ATOM 0 HB2 ASN A 29 1.308 -6.823 5.124 1.00 0.00 H new ATOM 0 HB3 ASN A 29 1.277 -7.912 3.751 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -1.916 -9.488 5.113 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -0.344 -10.094 4.581 1.00 0.00 H new ATOM 461 N GLY A 30 3.245 -10.238 4.165 1.00 0.00 N ATOM 462 CA GLY A 30 3.571 -11.407 3.299 1.00 0.00 C ATOM 463 C GLY A 30 3.757 -10.961 1.865 1.00 0.00 C ATOM 464 O GLY A 30 3.357 -11.657 0.954 1.00 0.00 O ATOM 0 H GLY A 30 3.999 -9.557 4.255 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.479 -11.892 3.657 1.00 0.00 H new ATOM 0 HA3 GLY A 30 2.771 -12.146 3.357 1.00 0.00 H new ATOM 468 N ALA A 31 4.353 -9.816 1.687 1.00 0.00 N ATOM 469 CA ALA A 31 4.571 -9.333 0.295 1.00 0.00 C ATOM 470 C ALA A 31 5.975 -9.799 -0.068 1.00 0.00 C ATOM 471 O ALA A 31 6.797 -10.035 0.801 1.00 0.00 O ATOM 472 CB ALA A 31 4.499 -7.825 0.263 1.00 0.00 C ATOM 0 H ALA A 31 4.693 -9.204 2.428 1.00 0.00 H new ATOM 0 HA ALA A 31 3.822 -9.712 -0.400 1.00 0.00 H new ATOM 0 HB1 ALA A 31 4.659 -7.475 -0.757 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.518 -7.500 0.609 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.269 -7.410 0.914 1.00 0.00 H new ATOM 478 N SER A 32 6.209 -9.906 -1.343 1.00 0.00 N ATOM 479 CA SER A 32 7.548 -10.362 -1.814 1.00 0.00 C ATOM 480 C SER A 32 8.487 -9.150 -1.699 1.00 0.00 C ATOM 481 O SER A 32 9.605 -9.263 -1.233 1.00 0.00 O ATOM 482 CB SER A 32 7.397 -10.846 -3.255 1.00 0.00 C ATOM 483 OG SER A 32 8.577 -11.594 -3.515 1.00 0.00 O ATOM 0 H SER A 32 5.535 -9.699 -2.080 1.00 0.00 H new ATOM 0 HA SER A 32 7.957 -11.185 -1.229 1.00 0.00 H new ATOM 0 HB2 SER A 32 6.505 -11.461 -3.374 1.00 0.00 H new ATOM 0 HB3 SER A 32 7.300 -10.008 -3.945 1.00 0.00 H new ATOM 0 HG SER A 32 8.549 -11.941 -4.431 1.00 0.00 H new ATOM 489 N SER A 33 7.983 -8.027 -2.133 1.00 0.00 N ATOM 490 CA SER A 33 8.782 -6.753 -2.081 1.00 0.00 C ATOM 491 C SER A 33 7.876 -5.635 -1.505 1.00 0.00 C ATOM 492 O SER A 33 6.667 -5.775 -1.562 1.00 0.00 O ATOM 493 CB SER A 33 9.267 -6.409 -3.540 1.00 0.00 C ATOM 494 OG SER A 33 10.556 -7.002 -3.691 1.00 0.00 O ATOM 0 H SER A 33 7.047 -7.929 -2.525 1.00 0.00 H new ATOM 0 HA SER A 33 9.659 -6.854 -1.442 1.00 0.00 H new ATOM 0 HB2 SER A 33 8.571 -6.800 -4.282 1.00 0.00 H new ATOM 0 HB3 SER A 33 9.317 -5.330 -3.688 1.00 0.00 H new ATOM 0 HG SER A 33 10.899 -6.815 -4.590 1.00 0.00 H new ATOM 500 N GLY A 34 8.448 -4.582 -0.970 1.00 0.00 N ATOM 501 CA GLY A 34 7.648 -3.443 -0.399 1.00 0.00 C ATOM 502 C GLY A 34 8.350 -2.134 -0.796 1.00 0.00 C ATOM 503 O GLY A 34 9.562 -2.114 -0.743 1.00 0.00 O ATOM 0 H GLY A 34 9.458 -4.459 -0.902 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.628 -3.462 -0.783 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.582 -3.528 0.686 1.00 0.00 H new ATOM 507 N TYR A 35 7.638 -1.111 -1.192 1.00 0.00 N ATOM 508 CA TYR A 35 8.241 0.219 -1.590 1.00 0.00 C ATOM 509 C TYR A 35 7.113 1.223 -1.307 1.00 0.00 C ATOM 510 O TYR A 35 6.011 0.777 -1.087 1.00 0.00 O ATOM 511 CB TYR A 35 8.603 0.081 -3.087 1.00 0.00 C ATOM 512 CG TYR A 35 8.968 1.338 -3.872 1.00 0.00 C ATOM 513 CD1 TYR A 35 7.985 2.248 -4.142 1.00 0.00 C ATOM 514 CD2 TYR A 35 10.243 1.571 -4.340 1.00 0.00 C ATOM 515 CE1 TYR A 35 8.244 3.373 -4.874 1.00 0.00 C ATOM 516 CE2 TYR A 35 10.511 2.701 -5.082 1.00 0.00 C ATOM 517 CZ TYR A 35 9.505 3.610 -5.347 1.00 0.00 C ATOM 518 OH TYR A 35 9.733 4.746 -6.094 1.00 0.00 O ATOM 0 H TYR A 35 6.621 -1.135 -1.262 1.00 0.00 H new ATOM 0 HA TYR A 35 9.143 0.535 -1.067 1.00 0.00 H new ATOM 0 HB2 TYR A 35 9.442 -0.611 -3.162 1.00 0.00 H new ATOM 0 HB3 TYR A 35 7.757 -0.389 -3.590 1.00 0.00 H new ATOM 0 HD1 TYR A 35 6.986 2.075 -3.770 1.00 0.00 H new ATOM 0 HD2 TYR A 35 11.033 0.867 -4.125 1.00 0.00 H new ATOM 0 HE1 TYR A 35 7.451 4.076 -5.079 1.00 0.00 H new ATOM 0 HE2 TYR A 35 11.509 2.876 -5.457 1.00 0.00 H new ATOM 0 HH TYR A 35 10.676 4.779 -6.359 1.00 0.00 H new ATOM 528 N CYS A 36 7.315 2.512 -1.300 1.00 0.00 N ATOM 529 CA CYS A 36 6.147 3.431 -1.017 1.00 0.00 C ATOM 530 C CYS A 36 5.941 4.239 -2.301 1.00 0.00 C ATOM 531 O CYS A 36 6.913 4.660 -2.891 1.00 0.00 O ATOM 532 CB CYS A 36 6.490 4.347 0.152 1.00 0.00 C ATOM 533 SG CYS A 36 5.208 5.524 0.636 1.00 0.00 S ATOM 0 H CYS A 36 8.209 2.971 -1.472 1.00 0.00 H new ATOM 0 HA CYS A 36 5.243 2.885 -0.746 1.00 0.00 H new ATOM 0 HB2 CYS A 36 6.731 3.727 1.015 1.00 0.00 H new ATOM 0 HB3 CYS A 36 7.391 4.905 -0.101 1.00 0.00 H new ATOM 538 N GLN A 37 4.725 4.456 -2.714 1.00 0.00 N ATOM 539 CA GLN A 37 4.460 5.221 -3.962 1.00 0.00 C ATOM 540 C GLN A 37 3.273 6.154 -3.767 1.00 0.00 C ATOM 541 O GLN A 37 2.630 6.147 -2.740 1.00 0.00 O ATOM 542 CB GLN A 37 4.260 4.121 -5.004 1.00 0.00 C ATOM 543 CG GLN A 37 4.039 4.552 -6.472 1.00 0.00 C ATOM 544 CD GLN A 37 5.106 5.568 -6.847 1.00 0.00 C ATOM 545 OE1 GLN A 37 6.296 5.345 -6.721 1.00 0.00 O ATOM 546 NE2 GLN A 37 4.724 6.714 -7.316 1.00 0.00 N ATOM 0 H GLN A 37 3.889 4.129 -2.230 1.00 0.00 H new ATOM 0 HA GLN A 37 5.257 5.897 -4.272 1.00 0.00 H new ATOM 0 HB2 GLN A 37 5.132 3.468 -4.974 1.00 0.00 H new ATOM 0 HB3 GLN A 37 3.403 3.521 -4.698 1.00 0.00 H new ATOM 0 HG2 GLN A 37 4.093 3.686 -7.132 1.00 0.00 H new ATOM 0 HG3 GLN A 37 3.046 4.984 -6.594 1.00 0.00 H new ATOM 0 HE21 GLN A 37 3.730 6.914 -7.427 1.00 0.00 H new ATOM 0 HE22 GLN A 37 5.417 7.416 -7.574 1.00 0.00 H new ATOM 555 N TRP A 38 2.973 6.948 -4.743 1.00 0.00 N ATOM 556 CA TRP A 38 1.811 7.873 -4.608 1.00 0.00 C ATOM 557 C TRP A 38 1.131 7.943 -5.954 1.00 0.00 C ATOM 558 O TRP A 38 1.752 7.632 -6.952 1.00 0.00 O ATOM 559 CB TRP A 38 2.307 9.280 -4.122 1.00 0.00 C ATOM 560 CG TRP A 38 3.708 9.595 -4.607 1.00 0.00 C ATOM 561 CD1 TRP A 38 4.145 9.427 -5.881 1.00 0.00 C ATOM 562 CD2 TRP A 38 4.726 10.104 -3.849 1.00 0.00 C ATOM 563 NE1 TRP A 38 5.399 9.828 -5.835 1.00 0.00 N ATOM 564 CE2 TRP A 38 5.846 10.256 -4.665 1.00 0.00 C ATOM 565 CE3 TRP A 38 4.814 10.464 -2.503 1.00 0.00 C ATOM 566 CZ2 TRP A 38 7.044 10.763 -4.147 1.00 0.00 C ATOM 567 CZ3 TRP A 38 6.000 10.966 -1.977 1.00 0.00 C ATOM 568 CH2 TRP A 38 7.119 11.119 -2.795 1.00 0.00 C ATOM 0 H TRP A 38 3.475 7.003 -5.629 1.00 0.00 H new ATOM 0 HA TRP A 38 1.098 7.516 -3.865 1.00 0.00 H new ATOM 0 HB2 TRP A 38 1.620 10.048 -4.478 1.00 0.00 H new ATOM 0 HB3 TRP A 38 2.286 9.314 -3.033 1.00 0.00 H new ATOM 0 HD1 TRP A 38 3.595 9.053 -6.732 1.00 0.00 H new ATOM 0 HE1 TRP A 38 5.997 9.810 -6.661 1.00 0.00 H new ATOM 0 HE3 TRP A 38 3.952 10.351 -1.863 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 7.906 10.879 -4.787 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 6.054 11.238 -0.933 1.00 0.00 H new ATOM 0 HH2 TRP A 38 8.039 11.510 -2.387 1.00 0.00 H new ATOM 579 N ALA A 39 -0.119 8.317 -5.951 1.00 0.00 N ATOM 580 CA ALA A 39 -0.902 8.418 -7.205 1.00 0.00 C ATOM 581 C ALA A 39 -1.594 9.776 -7.296 1.00 0.00 C ATOM 582 O ALA A 39 -1.444 10.531 -8.234 1.00 0.00 O ATOM 583 CB ALA A 39 -1.933 7.317 -7.230 1.00 0.00 C ATOM 0 H ALA A 39 -0.639 8.562 -5.108 1.00 0.00 H new ATOM 0 HA ALA A 39 -0.229 8.317 -8.057 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -2.514 7.384 -8.150 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.433 6.349 -7.186 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -2.598 7.421 -6.372 1.00 0.00 H new ATOM 646 N ASN A 44 -1.194 9.002 -1.338 1.00 0.00 N ATOM 647 CA ASN A 44 0.144 8.335 -1.293 1.00 0.00 C ATOM 648 C ASN A 44 -0.123 7.004 -0.626 1.00 0.00 C ATOM 649 O ASN A 44 -1.173 6.847 -0.033 1.00 0.00 O ATOM 650 CB ASN A 44 1.137 9.093 -0.407 1.00 0.00 C ATOM 651 CG ASN A 44 2.417 8.254 -0.246 1.00 0.00 C ATOM 652 OD1 ASN A 44 3.291 8.315 -1.079 1.00 0.00 O ATOM 653 ND2 ASN A 44 2.584 7.456 0.774 1.00 0.00 N ATOM 0 HA ASN A 44 0.572 8.273 -2.294 1.00 0.00 H new ATOM 0 HB2 ASN A 44 1.375 10.059 -0.852 1.00 0.00 H new ATOM 0 HB3 ASN A 44 0.693 9.292 0.569 1.00 0.00 H new ATOM 0 HD21 ASN A 44 3.437 6.902 0.854 1.00 0.00 H new ATOM 0 HD22 ASN A 44 1.862 7.386 1.491 1.00 0.00 H new ATOM 660 N ALA A 45 0.782 6.083 -0.713 1.00 0.00 N ATOM 661 CA ALA A 45 0.540 4.781 -0.059 1.00 0.00 C ATOM 662 C ALA A 45 1.794 3.958 -0.157 1.00 0.00 C ATOM 663 O ALA A 45 2.765 4.318 -0.788 1.00 0.00 O ATOM 664 CB ALA A 45 -0.528 4.011 -0.789 1.00 0.00 C ATOM 0 H ALA A 45 1.671 6.173 -1.204 1.00 0.00 H new ATOM 0 HA ALA A 45 0.240 4.965 0.973 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -0.692 3.055 -0.292 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.455 4.584 -0.787 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.212 3.836 -1.817 1.00 0.00 H new ATOM 670 N CYS A 46 1.704 2.830 0.468 1.00 0.00 N ATOM 671 CA CYS A 46 2.871 1.938 0.422 1.00 0.00 C ATOM 672 C CYS A 46 2.450 1.069 -0.760 1.00 0.00 C ATOM 673 O CYS A 46 1.305 0.672 -0.880 1.00 0.00 O ATOM 674 CB CYS A 46 2.957 1.172 1.697 1.00 0.00 C ATOM 675 SG CYS A 46 4.565 1.072 2.505 1.00 0.00 S ATOM 0 H CYS A 46 0.897 2.496 0.994 1.00 0.00 H new ATOM 0 HA CYS A 46 3.852 2.400 0.313 1.00 0.00 H new ATOM 0 HB2 CYS A 46 2.254 1.614 2.403 1.00 0.00 H new ATOM 0 HB3 CYS A 46 2.616 0.155 1.502 1.00 0.00 H new ATOM 680 N TRP A 47 3.414 0.809 -1.576 1.00 0.00 N ATOM 681 CA TRP A 47 3.278 0.002 -2.812 1.00 0.00 C ATOM 682 C TRP A 47 3.857 -1.332 -2.412 1.00 0.00 C ATOM 683 O TRP A 47 5.060 -1.490 -2.289 1.00 0.00 O ATOM 684 CB TRP A 47 4.107 0.675 -3.944 1.00 0.00 C ATOM 685 CG TRP A 47 3.903 0.039 -5.316 1.00 0.00 C ATOM 686 CD1 TRP A 47 4.818 -0.676 -6.035 1.00 0.00 C ATOM 687 CD2 TRP A 47 2.757 0.100 -6.034 1.00 0.00 C ATOM 688 NE1 TRP A 47 4.170 -1.006 -7.142 1.00 0.00 N ATOM 689 CE2 TRP A 47 2.922 -0.577 -7.238 1.00 0.00 C ATOM 690 CE3 TRP A 47 1.559 0.722 -5.730 1.00 0.00 C ATOM 691 CZ2 TRP A 47 1.856 -0.637 -8.145 1.00 0.00 C ATOM 692 CZ3 TRP A 47 0.502 0.673 -6.624 1.00 0.00 C ATOM 693 CH2 TRP A 47 0.647 -0.005 -7.834 1.00 0.00 C ATOM 0 H TRP A 47 4.364 1.149 -1.425 1.00 0.00 H new ATOM 0 HA TRP A 47 2.259 -0.091 -3.187 1.00 0.00 H new ATOM 0 HB2 TRP A 47 3.840 1.730 -3.999 1.00 0.00 H new ATOM 0 HB3 TRP A 47 5.165 0.627 -3.685 1.00 0.00 H new ATOM 0 HD1 TRP A 47 5.835 -0.917 -5.764 1.00 0.00 H new ATOM 0 HE1 TRP A 47 4.608 -1.559 -7.878 1.00 0.00 H new ATOM 0 HE3 TRP A 47 1.448 1.247 -4.793 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 1.967 -1.168 -9.079 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -0.432 1.159 -6.384 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -0.176 -0.042 -8.533 1.00 0.00 H new ATOM 704 N CYS A 48 2.976 -2.269 -2.217 1.00 0.00 N ATOM 705 CA CYS A 48 3.472 -3.609 -1.817 1.00 0.00 C ATOM 706 C CYS A 48 3.469 -4.410 -3.099 1.00 0.00 C ATOM 707 O CYS A 48 2.635 -4.168 -3.960 1.00 0.00 O ATOM 708 CB CYS A 48 2.542 -4.242 -0.795 1.00 0.00 C ATOM 709 SG CYS A 48 2.440 -3.443 0.820 1.00 0.00 S ATOM 0 H CYS A 48 1.965 -2.171 -2.313 1.00 0.00 H new ATOM 0 HA CYS A 48 4.458 -3.564 -1.354 1.00 0.00 H new ATOM 0 HB2 CYS A 48 1.540 -4.274 -1.222 1.00 0.00 H new ATOM 0 HB3 CYS A 48 2.857 -5.275 -0.644 1.00 0.00 H new ATOM 714 N TYR A 49 4.400 -5.328 -3.130 1.00 0.00 N ATOM 715 CA TYR A 49 4.576 -6.209 -4.309 1.00 0.00 C ATOM 716 C TYR A 49 4.324 -7.647 -3.940 1.00 0.00 C ATOM 717 O TYR A 49 4.941 -8.175 -3.028 1.00 0.00 O ATOM 718 CB TYR A 49 5.998 -6.198 -4.842 1.00 0.00 C ATOM 719 CG TYR A 49 6.659 -4.842 -5.103 1.00 0.00 C ATOM 720 CD1 TYR A 49 6.996 -3.996 -4.072 1.00 0.00 C ATOM 721 CD2 TYR A 49 6.973 -4.471 -6.389 1.00 0.00 C ATOM 722 CE1 TYR A 49 7.633 -2.815 -4.304 1.00 0.00 C ATOM 723 CE2 TYR A 49 7.616 -3.275 -6.629 1.00 0.00 C ATOM 724 CZ TYR A 49 7.954 -2.443 -5.583 1.00 0.00 C ATOM 725 OH TYR A 49 8.601 -1.250 -5.850 1.00 0.00 O ATOM 0 H TYR A 49 5.056 -5.503 -2.369 1.00 0.00 H new ATOM 0 HA TYR A 49 3.875 -5.828 -5.052 1.00 0.00 H new ATOM 0 HB2 TYR A 49 6.623 -6.743 -4.135 1.00 0.00 H new ATOM 0 HB3 TYR A 49 6.008 -6.760 -5.776 1.00 0.00 H new ATOM 0 HD1 TYR A 49 6.750 -4.274 -3.058 1.00 0.00 H new ATOM 0 HD2 TYR A 49 6.715 -5.118 -7.214 1.00 0.00 H new ATOM 0 HE1 TYR A 49 7.886 -2.169 -3.476 1.00 0.00 H new ATOM 0 HE2 TYR A 49 7.856 -2.988 -7.642 1.00 0.00 H new ATOM 0 HH TYR A 49 8.743 -1.164 -6.816 1.00 0.00 H new ATOM 735 N ALA A 50 3.426 -8.227 -4.673 1.00 0.00 N ATOM 736 CA ALA A 50 3.042 -9.637 -4.462 1.00 0.00 C ATOM 737 C ALA A 50 2.598 -9.762 -3.017 1.00 0.00 C ATOM 738 O ALA A 50 3.043 -10.584 -2.242 1.00 0.00 O ATOM 739 CB ALA A 50 4.232 -10.528 -4.769 1.00 0.00 C ATOM 0 H ALA A 50 2.928 -7.765 -5.434 1.00 0.00 H new ATOM 0 HA ALA A 50 2.229 -9.946 -5.119 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.955 -11.571 -4.615 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.537 -10.383 -5.805 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.059 -10.271 -4.107 1.00 0.00 H new ATOM 745 N LEU A 51 1.683 -8.883 -2.735 1.00 0.00 N ATOM 746 CA LEU A 51 1.043 -8.764 -1.427 1.00 0.00 C ATOM 747 C LEU A 51 -0.071 -9.825 -1.715 1.00 0.00 C ATOM 748 O LEU A 51 -0.665 -9.813 -2.776 1.00 0.00 O ATOM 749 CB LEU A 51 0.643 -7.257 -1.368 1.00 0.00 C ATOM 750 CG LEU A 51 -0.520 -6.887 -0.433 1.00 0.00 C ATOM 751 CD1 LEU A 51 -1.747 -7.613 -0.908 1.00 0.00 C ATOM 752 CD2 LEU A 51 -0.183 -7.217 1.002 1.00 0.00 C ATOM 0 H LEU A 51 1.341 -8.204 -3.415 1.00 0.00 H new ATOM 0 HA LEU A 51 1.530 -8.954 -0.470 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.519 -6.684 -1.064 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.385 -6.934 -2.376 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.706 -5.813 -0.462 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.589 -7.367 -0.260 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.976 -7.311 -1.930 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.568 -8.688 -0.879 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.021 -6.946 1.644 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.014 -8.285 1.093 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.702 -6.658 1.306 1.00 0.00 H new ATOM 764 N PRO A 52 -0.308 -10.742 -0.811 1.00 0.00 N ATOM 765 CA PRO A 52 -1.447 -11.686 -0.839 1.00 0.00 C ATOM 766 C PRO A 52 -2.771 -11.200 -1.399 1.00 0.00 C ATOM 767 O PRO A 52 -3.011 -10.062 -1.744 1.00 0.00 O ATOM 768 CB PRO A 52 -1.628 -12.159 0.597 1.00 0.00 C ATOM 769 CG PRO A 52 -0.271 -11.943 1.268 1.00 0.00 C ATOM 770 CD PRO A 52 0.537 -10.965 0.376 1.00 0.00 C ATOM 0 HA PRO A 52 -1.180 -12.466 -1.553 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -2.411 -11.593 1.102 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -1.921 -13.208 0.631 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -0.399 -11.532 2.270 1.00 0.00 H new ATOM 0 HG3 PRO A 52 0.258 -12.890 1.377 1.00 0.00 H new ATOM 0 HD2 PRO A 52 0.738 -10.030 0.898 1.00 0.00 H new ATOM 0 HD3 PRO A 52 1.502 -11.389 0.099 1.00 0.00 H new ATOM 778 N ASP A 53 -3.646 -12.145 -1.446 1.00 0.00 N ATOM 779 CA ASP A 53 -4.988 -11.832 -1.975 1.00 0.00 C ATOM 780 C ASP A 53 -5.936 -11.360 -0.864 1.00 0.00 C ATOM 781 O ASP A 53 -6.863 -10.609 -1.096 1.00 0.00 O ATOM 782 CB ASP A 53 -5.435 -13.118 -2.704 1.00 0.00 C ATOM 783 CG ASP A 53 -4.321 -13.459 -3.721 1.00 0.00 C ATOM 784 OD1 ASP A 53 -4.198 -12.749 -4.707 1.00 0.00 O ATOM 785 OD2 ASP A 53 -3.596 -14.412 -3.491 1.00 0.00 O ATOM 0 H ASP A 53 -3.497 -13.109 -1.147 1.00 0.00 H new ATOM 0 HA ASP A 53 -4.990 -10.992 -2.670 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -5.577 -13.935 -1.997 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.388 -12.965 -3.210 1.00 0.00 H new ATOM 790 N ASN A 54 -5.647 -11.790 0.333 1.00 0.00 N ATOM 791 CA ASN A 54 -6.484 -11.423 1.524 1.00 0.00 C ATOM 792 C ASN A 54 -6.465 -9.943 1.927 1.00 0.00 C ATOM 793 O ASN A 54 -7.371 -9.528 2.624 1.00 0.00 O ATOM 794 CB ASN A 54 -6.035 -12.264 2.747 1.00 0.00 C ATOM 795 CG ASN A 54 -4.563 -12.030 3.115 1.00 0.00 C ATOM 796 OD1 ASN A 54 -4.121 -10.925 3.337 1.00 0.00 O ATOM 797 ND2 ASN A 54 -3.746 -13.037 3.200 1.00 0.00 N ATOM 0 H ASN A 54 -4.852 -12.392 0.546 1.00 0.00 H new ATOM 0 HA ASN A 54 -7.508 -11.635 1.217 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -6.663 -12.018 3.603 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -6.188 -13.322 2.532 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -2.769 -12.881 3.447 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -4.082 -13.983 3.020 1.00 0.00 H new ATOM 804 N VAL A 55 -5.485 -9.180 1.516 1.00 0.00 N ATOM 805 CA VAL A 55 -5.507 -7.736 1.927 1.00 0.00 C ATOM 806 C VAL A 55 -6.292 -6.911 0.880 1.00 0.00 C ATOM 807 O VAL A 55 -5.950 -6.930 -0.282 1.00 0.00 O ATOM 808 CB VAL A 55 -4.015 -7.221 2.076 1.00 0.00 C ATOM 809 CG1 VAL A 55 -4.011 -5.813 2.630 1.00 0.00 C ATOM 810 CG2 VAL A 55 -3.185 -8.171 2.906 1.00 0.00 C ATOM 0 H VAL A 55 -4.698 -9.474 0.937 1.00 0.00 H new ATOM 0 HA VAL A 55 -6.010 -7.620 2.887 1.00 0.00 H new ATOM 0 HB VAL A 55 -3.549 -7.193 1.091 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.983 -5.464 2.730 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -4.553 -5.154 1.952 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.494 -5.805 3.607 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -2.168 -7.788 2.989 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -3.621 -8.261 3.901 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -3.167 -9.151 2.428 1.00 0.00 H new ATOM 820 N PRO A 56 -7.331 -6.208 1.270 1.00 0.00 N ATOM 821 CA PRO A 56 -8.010 -5.233 0.366 1.00 0.00 C ATOM 822 C PRO A 56 -7.207 -3.944 0.093 1.00 0.00 C ATOM 823 O PRO A 56 -7.373 -2.963 0.787 1.00 0.00 O ATOM 824 CB PRO A 56 -9.366 -4.930 1.023 1.00 0.00 C ATOM 825 CG PRO A 56 -9.350 -5.594 2.437 1.00 0.00 C ATOM 826 CD PRO A 56 -7.986 -6.309 2.608 1.00 0.00 C ATOM 0 HA PRO A 56 -8.118 -5.673 -0.626 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -9.523 -3.854 1.104 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -10.183 -5.327 0.420 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -9.487 -4.842 3.214 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -10.170 -6.306 2.534 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -7.383 -5.831 3.380 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -8.119 -7.349 2.906 1.00 0.00 H new ATOM 834 N ILE A 57 -6.368 -3.968 -0.913 1.00 0.00 N ATOM 835 CA ILE A 57 -5.544 -2.761 -1.265 1.00 0.00 C ATOM 836 C ILE A 57 -6.485 -1.616 -1.730 1.00 0.00 C ATOM 837 O ILE A 57 -7.694 -1.748 -1.666 1.00 0.00 O ATOM 838 CB ILE A 57 -4.530 -3.160 -2.401 1.00 0.00 C ATOM 839 CG1 ILE A 57 -5.226 -3.213 -3.768 1.00 0.00 C ATOM 840 CG2 ILE A 57 -3.743 -4.398 -2.035 1.00 0.00 C ATOM 841 CD1 ILE A 57 -6.329 -4.239 -3.831 1.00 0.00 C ATOM 0 H ILE A 57 -6.215 -4.778 -1.513 1.00 0.00 H new ATOM 0 HA ILE A 57 -4.983 -2.410 -0.399 1.00 0.00 H new ATOM 0 HB ILE A 57 -3.777 -2.377 -2.496 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -5.638 -2.230 -3.997 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -4.486 -3.436 -4.537 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.054 -4.643 -2.843 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -3.179 -4.214 -1.120 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -4.428 -5.231 -1.877 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -6.781 -4.227 -4.823 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -5.917 -5.228 -3.632 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -7.087 -4.004 -3.084 1.00 0.00 H new ATOM 853 N ARG A 58 -5.883 -0.528 -2.157 1.00 0.00 N ATOM 854 CA ARG A 58 -6.701 0.644 -2.618 1.00 0.00 C ATOM 855 C ARG A 58 -8.024 0.396 -3.342 1.00 0.00 C ATOM 856 O ARG A 58 -8.269 -0.625 -3.948 1.00 0.00 O ATOM 857 CB ARG A 58 -5.836 1.576 -3.533 1.00 0.00 C ATOM 858 CG ARG A 58 -5.331 2.729 -2.634 1.00 0.00 C ATOM 859 CD ARG A 58 -6.530 3.583 -2.060 1.00 0.00 C ATOM 860 NE ARG A 58 -5.982 4.515 -1.008 1.00 0.00 N ATOM 861 CZ ARG A 58 -6.669 5.471 -0.428 1.00 0.00 C ATOM 862 NH1 ARG A 58 -7.961 5.407 -0.414 1.00 0.00 N ATOM 863 NH2 ARG A 58 -6.012 6.454 0.119 1.00 0.00 N ATOM 0 H ARG A 58 -4.872 -0.401 -2.206 1.00 0.00 H new ATOM 0 HA ARG A 58 -6.994 1.085 -1.665 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -5.000 1.027 -3.966 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -6.428 1.962 -4.363 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -4.747 2.320 -1.810 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -4.665 3.374 -3.207 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -7.009 4.150 -2.858 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -7.291 2.931 -1.631 1.00 0.00 H new ATOM 0 HE ARG A 58 -5.009 4.394 -0.728 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -8.437 4.618 -0.851 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -8.503 6.145 0.034 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -4.993 6.465 0.089 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -6.517 7.212 0.578 1.00 0.00 H new ATOM 877 N VAL A 59 -8.838 1.411 -3.243 1.00 0.00 N ATOM 878 CA VAL A 59 -10.194 1.417 -3.830 1.00 0.00 C ATOM 879 C VAL A 59 -10.382 2.437 -4.973 1.00 0.00 C ATOM 880 O VAL A 59 -9.624 3.380 -5.063 1.00 0.00 O ATOM 881 CB VAL A 59 -11.038 1.663 -2.561 1.00 0.00 C ATOM 882 CG1 VAL A 59 -10.638 0.706 -1.452 1.00 0.00 C ATOM 883 CG2 VAL A 59 -10.878 3.118 -2.169 1.00 0.00 C ATOM 0 H VAL A 59 -8.599 2.274 -2.754 1.00 0.00 H new ATOM 0 HA VAL A 59 -10.472 0.508 -4.363 1.00 0.00 H new ATOM 0 HB VAL A 59 -12.093 1.467 -2.753 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -11.246 0.899 -0.568 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -10.794 -0.321 -1.783 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -9.586 0.852 -1.207 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -11.465 3.320 -1.273 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -9.827 3.328 -1.969 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -11.226 3.754 -2.982 1.00 0.00 H new ATOM 893 N PRO A 60 -11.394 2.232 -5.793 1.00 0.00 N ATOM 894 CA PRO A 60 -11.698 3.103 -6.965 1.00 0.00 C ATOM 895 C PRO A 60 -11.912 4.543 -6.548 1.00 0.00 C ATOM 896 O PRO A 60 -11.358 5.490 -7.069 1.00 0.00 O ATOM 897 CB PRO A 60 -12.963 2.540 -7.603 1.00 0.00 C ATOM 898 CG PRO A 60 -13.249 1.170 -6.910 1.00 0.00 C ATOM 899 CD PRO A 60 -12.363 1.105 -5.657 1.00 0.00 C ATOM 0 HA PRO A 60 -10.862 3.106 -7.665 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -13.801 3.224 -7.468 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -12.829 2.409 -8.677 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -14.302 1.086 -6.642 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -13.025 0.343 -7.584 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -12.959 1.207 -4.750 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -11.845 0.148 -5.592 1.00 0.00 H new ATOM 907 N GLY A 61 -12.770 4.600 -5.576 1.00 0.00 N ATOM 908 CA GLY A 61 -13.171 5.902 -4.975 1.00 0.00 C ATOM 909 C GLY A 61 -12.014 6.559 -4.223 1.00 0.00 C ATOM 910 O GLY A 61 -10.979 6.873 -4.780 1.00 0.00 O ATOM 0 H GLY A 61 -13.221 3.784 -5.162 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -13.522 6.572 -5.760 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -14.006 5.746 -4.292 1.00 0.00 H new ATOM 914 N LYS A 62 -12.218 6.764 -2.955 1.00 0.00 N ATOM 915 CA LYS A 62 -11.159 7.394 -2.123 1.00 0.00 C ATOM 916 C LYS A 62 -11.155 6.680 -0.793 1.00 0.00 C ATOM 917 O LYS A 62 -11.782 5.651 -0.602 1.00 0.00 O ATOM 918 CB LYS A 62 -11.477 8.912 -1.943 1.00 0.00 C ATOM 919 CG LYS A 62 -11.723 9.535 -3.335 1.00 0.00 C ATOM 920 CD LYS A 62 -11.740 11.085 -3.264 1.00 0.00 C ATOM 921 CE LYS A 62 -10.427 11.626 -3.846 1.00 0.00 C ATOM 922 NZ LYS A 62 -10.288 11.152 -5.262 1.00 0.00 N ATOM 0 H LYS A 62 -13.075 6.522 -2.457 1.00 0.00 H new ATOM 0 HA LYS A 62 -10.178 7.313 -2.592 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -12.355 9.042 -1.310 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -10.648 9.415 -1.445 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -10.944 9.209 -4.024 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -12.672 9.177 -3.734 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -12.590 11.478 -3.822 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -11.858 11.413 -2.231 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -10.421 12.715 -3.811 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -9.581 11.283 -3.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -9.902 11.919 -5.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -9.645 10.335 -5.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -11.221 10.872 -5.628 1.00 0.00 H new ATOM 936 N CYS A 63 -10.428 7.302 0.085 1.00 0.00 N ATOM 937 CA CYS A 63 -10.259 6.818 1.479 1.00 0.00 C ATOM 938 C CYS A 63 -11.424 7.398 2.264 1.00 0.00 C ATOM 939 O CYS A 63 -11.997 8.393 1.855 1.00 0.00 O ATOM 940 CB CYS A 63 -8.925 7.353 2.012 1.00 0.00 C ATOM 941 SG CYS A 63 -8.746 7.618 3.787 1.00 0.00 S ATOM 0 H CYS A 63 -9.922 8.164 -0.116 1.00 0.00 H new ATOM 0 HA CYS A 63 -10.249 5.731 1.555 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -8.143 6.661 1.701 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -8.727 8.302 1.514 1.00 0.00 H new ATOM 946 N HIS A 64 -11.757 6.763 3.358 1.00 0.00 N ATOM 947 CA HIS A 64 -12.882 7.262 4.202 1.00 0.00 C ATOM 948 C HIS A 64 -12.989 6.421 5.493 1.00 0.00 C ATOM 949 O HIS A 64 -14.104 6.158 5.915 1.00 0.00 O ATOM 950 CB HIS A 64 -14.205 7.189 3.401 1.00 0.00 C ATOM 951 CG HIS A 64 -14.485 5.736 2.999 1.00 0.00 C ATOM 952 ND1 HIS A 64 -14.666 4.740 3.819 1.00 0.00 N ATOM 953 CD2 HIS A 64 -14.591 5.195 1.740 1.00 0.00 C ATOM 954 CE1 HIS A 64 -14.879 3.628 3.193 1.00 0.00 C ATOM 955 NE2 HIS A 64 -14.834 3.918 1.924 1.00 0.00 N ATOM 956 OXT HIS A 64 -11.935 6.082 5.999 1.00 0.00 O ATOM 0 H HIS A 64 -11.298 5.920 3.703 1.00 0.00 H new ATOM 0 HA HIS A 64 -12.692 8.299 4.479 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -15.028 7.575 4.003 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -14.138 7.816 2.512 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -14.643 4.827 4.835 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -14.495 5.712 0.797 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -15.058 2.658 3.633 1.00 0.00 H new