USER MOD reduce.3.24.130724 H: found=0, std=0, add=568, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 569 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 66 GLN : amide:sc= 1.24 X(o=2.3,f=2.2) USER MOD Set 1.2: A 115 TYR OH : rot 180:sc= 1.02 USER MOD Set 2.1: A 114 ASN : amide:sc= 0.0136 X(o=-0.38,f=-0.18) USER MOD Set 2.2: A 117 HIS : no HD1:sc= -0.389 K(o=-0.38,f=0.46) USER MOD Set 3.1: A 98 ASN : amide:sc= 0.782 K(o=1.7,f=-2.9!) USER MOD Set 3.2: A 100 TYR OH : rot -38:sc= 0.947 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -0.452 X(o=-0.45,f=-0.5) USER MOD Single : A 48 THR OG1 : rot -67:sc= 0.894 USER MOD Single : A 49 THR OG1 : rot -54:sc= 0.387 USER MOD Single : A 52 ASN : amide:sc= 0.595 K(o=0.6,f=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 91:sc= 0.0802 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.439 USER MOD Single : A 63 THR OG1 : rot 99:sc= 0.292 USER MOD Single : A 69 THR OG1 : rot 120:sc= -0.0668 USER MOD Single : A 73 GLN : amide:sc= -0.0617 K(o=-0.062,f=-1.1) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= 0.927 K(o=0.93,f=-0.37) USER MOD Single : A 92 LYS NZ :NH3+ -152:sc= 0.706 (180deg=0.57) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -1.32 K(o=-1.3,f=-4.7!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.0455 USER MOD Single : A 96 THR OG1 : rot 158:sc= -0.238! USER MOD Single : A 106 ASN : amide:sc= 1.1 K(o=1.1,f=-0.31) USER MOD Single : A 108 THR OG1 : rot 180:sc= -2.19! USER MOD Single : A 111 SER OG : rot -85:sc= 0.585! USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 44 -5.707 8.582 2.702 1.00 0.00 N ATOM 2 CA TYR A 44 -6.393 8.600 1.377 1.00 0.00 C ATOM 3 C TYR A 44 -5.418 8.954 0.249 1.00 0.00 C ATOM 4 O TYR A 44 -4.321 9.454 0.501 1.00 0.00 O ATOM 5 CB TYR A 44 -7.544 9.615 1.424 1.00 0.00 C ATOM 6 CG TYR A 44 -7.142 10.976 1.951 1.00 0.00 C ATOM 7 CD1 TYR A 44 -6.405 11.855 1.168 1.00 0.00 C ATOM 8 CD2 TYR A 44 -7.500 11.378 3.231 1.00 0.00 C ATOM 9 CE1 TYR A 44 -6.033 13.095 1.648 1.00 0.00 C ATOM 10 CE2 TYR A 44 -7.131 12.619 3.716 1.00 0.00 C ATOM 11 CZ TYR A 44 -6.399 13.472 2.921 1.00 0.00 C ATOM 12 OH TYR A 44 -6.031 14.706 3.400 1.00 0.00 O ATOM 0 HA TYR A 44 -6.785 7.604 1.170 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -7.954 9.731 0.421 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -8.342 9.215 2.050 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -6.118 11.564 0.168 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -8.075 10.712 3.857 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -5.458 13.766 1.028 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -7.416 12.918 4.714 1.00 0.00 H new ATOM 0 HH TYR A 44 -6.369 14.816 4.313 1.00 0.00 H new ATOM 22 N CYS A 45 -5.829 8.683 -0.988 1.00 0.00 N ATOM 23 CA CYS A 45 -5.003 8.964 -2.167 1.00 0.00 C ATOM 24 C CYS A 45 -5.868 9.489 -3.318 1.00 0.00 C ATOM 25 O CYS A 45 -7.053 9.769 -3.133 1.00 0.00 O ATOM 26 CB CYS A 45 -4.261 7.695 -2.598 1.00 0.00 C ATOM 27 SG CYS A 45 -2.583 7.536 -1.905 1.00 0.00 S ATOM 0 H CYS A 45 -6.735 8.266 -1.204 1.00 0.00 H new ATOM 0 HA CYS A 45 -4.274 9.732 -1.908 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -4.848 6.826 -2.301 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -4.195 7.678 -3.686 1.00 0.00 H new ATOM 32 N HIS A 46 -5.276 9.619 -4.509 1.00 0.00 N ATOM 33 CA HIS A 46 -6.006 10.105 -5.678 1.00 0.00 C ATOM 34 C HIS A 46 -7.030 9.073 -6.163 1.00 0.00 C ATOM 35 O HIS A 46 -7.159 7.986 -5.586 1.00 0.00 O ATOM 36 CB HIS A 46 -5.048 10.474 -6.826 1.00 0.00 C ATOM 37 CG HIS A 46 -3.620 10.060 -6.641 1.00 0.00 C ATOM 38 ND1 HIS A 46 -3.189 8.760 -6.788 1.00 0.00 N ATOM 39 CD2 HIS A 46 -2.521 10.788 -6.337 1.00 0.00 C ATOM 40 CE1 HIS A 46 -1.885 8.706 -6.583 1.00 0.00 C ATOM 41 NE2 HIS A 46 -1.453 9.924 -6.308 1.00 0.00 N ATOM 0 H HIS A 46 -4.297 9.395 -4.686 1.00 0.00 H new ATOM 0 HA HIS A 46 -6.538 11.005 -5.370 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -5.421 10.023 -7.745 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -5.078 11.555 -6.966 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -2.489 11.851 -6.151 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -1.275 7.816 -6.632 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -0.486 10.181 -6.107 1.00 0.00 H new ATOM 50 N ARG A 47 -7.758 9.426 -7.228 1.00 0.00 N ATOM 51 CA ARG A 47 -8.781 8.550 -7.806 1.00 0.00 C ATOM 52 C ARG A 47 -10.033 8.508 -6.912 1.00 0.00 C ATOM 53 O ARG A 47 -10.277 9.451 -6.156 1.00 0.00 O ATOM 54 CB ARG A 47 -8.201 7.143 -8.049 1.00 0.00 C ATOM 55 CG ARG A 47 -8.006 6.789 -9.522 1.00 0.00 C ATOM 56 CD ARG A 47 -9.041 7.445 -10.426 1.00 0.00 C ATOM 57 NE ARG A 47 -8.589 8.756 -10.908 1.00 0.00 N ATOM 58 CZ ARG A 47 -9.121 9.399 -11.943 1.00 0.00 C ATOM 59 NH1 ARG A 47 -10.130 8.875 -12.611 1.00 0.00 N ATOM 60 NH2 ARG A 47 -8.641 10.570 -12.305 1.00 0.00 N ATOM 0 H ARG A 47 -7.656 10.319 -7.710 1.00 0.00 H new ATOM 0 HA ARG A 47 -9.089 8.954 -8.770 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -7.241 7.065 -7.539 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -8.864 6.406 -7.595 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -7.008 7.096 -9.836 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -8.059 5.707 -9.641 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -9.245 6.795 -11.277 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -9.978 7.561 -9.882 1.00 0.00 H new ATOM 0 HE ARG A 47 -7.815 9.203 -10.416 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -10.509 7.969 -12.335 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -10.532 9.376 -13.404 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -7.862 10.983 -11.792 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -9.048 11.065 -13.099 1.00 0.00 H new ATOM 74 N THR A 48 -10.834 7.434 -7.019 1.00 0.00 N ATOM 75 CA THR A 48 -12.076 7.284 -6.234 1.00 0.00 C ATOM 76 C THR A 48 -13.184 8.198 -6.771 1.00 0.00 C ATOM 77 O THR A 48 -14.147 8.509 -6.066 1.00 0.00 O ATOM 78 CB THR A 48 -11.840 7.552 -4.732 1.00 0.00 C ATOM 79 OG1 THR A 48 -11.821 8.942 -4.448 1.00 0.00 O ATOM 80 CG2 THR A 48 -10.548 6.965 -4.204 1.00 0.00 C ATOM 0 H THR A 48 -10.643 6.651 -7.645 1.00 0.00 H new ATOM 0 HA THR A 48 -12.398 6.248 -6.342 1.00 0.00 H new ATOM 0 HB THR A 48 -12.677 7.061 -4.235 1.00 0.00 H new ATOM 0 HG1 THR A 48 -11.033 9.350 -4.864 1.00 0.00 H new ATOM 0 HG21 THR A 48 -10.451 7.194 -3.143 1.00 0.00 H new ATOM 0 HG22 THR A 48 -10.556 5.884 -4.343 1.00 0.00 H new ATOM 0 HG23 THR A 48 -9.705 7.394 -4.746 1.00 0.00 H new ATOM 88 N THR A 49 -13.048 8.615 -8.030 1.00 0.00 N ATOM 89 CA THR A 49 -14.029 9.490 -8.676 1.00 0.00 C ATOM 90 C THR A 49 -15.278 8.716 -9.103 1.00 0.00 C ATOM 91 O THR A 49 -15.618 8.666 -10.291 1.00 0.00 O ATOM 92 CB THR A 49 -13.396 10.190 -9.889 1.00 0.00 C ATOM 93 OG1 THR A 49 -14.363 10.928 -10.611 1.00 0.00 O ATOM 94 CG2 THR A 49 -12.734 9.234 -10.863 1.00 0.00 C ATOM 0 H THR A 49 -12.262 8.359 -8.627 1.00 0.00 H new ATOM 0 HA THR A 49 -14.337 10.241 -7.949 1.00 0.00 H new ATOM 0 HB THR A 49 -12.632 10.844 -9.468 1.00 0.00 H new ATOM 0 HG1 THR A 49 -15.111 10.341 -10.850 1.00 0.00 H new ATOM 0 HG21 THR A 49 -12.309 9.797 -11.694 1.00 0.00 H new ATOM 0 HG22 THR A 49 -11.942 8.686 -10.353 1.00 0.00 H new ATOM 0 HG23 THR A 49 -13.475 8.531 -11.243 1.00 0.00 H new ATOM 102 N ILE A 50 -15.967 8.130 -8.128 1.00 0.00 N ATOM 103 CA ILE A 50 -17.189 7.376 -8.399 1.00 0.00 C ATOM 104 C ILE A 50 -18.198 8.228 -9.173 1.00 0.00 C ATOM 105 O ILE A 50 -18.327 9.431 -8.937 1.00 0.00 O ATOM 106 CB ILE A 50 -17.837 6.841 -7.096 1.00 0.00 C ATOM 107 CG1 ILE A 50 -19.316 6.502 -7.316 1.00 0.00 C ATOM 108 CG2 ILE A 50 -17.686 7.841 -5.954 1.00 0.00 C ATOM 109 CD1 ILE A 50 -20.239 7.696 -7.176 1.00 0.00 C ATOM 0 H ILE A 50 -15.701 8.162 -7.144 1.00 0.00 H new ATOM 0 HA ILE A 50 -16.906 6.520 -9.011 1.00 0.00 H new ATOM 0 HB ILE A 50 -17.312 5.927 -6.820 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -19.438 6.074 -8.311 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -19.615 5.736 -6.600 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -18.150 7.438 -5.054 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -16.628 8.022 -5.767 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -18.172 8.778 -6.224 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -21.269 7.381 -7.345 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -20.146 8.112 -6.173 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -19.966 8.455 -7.910 1.00 0.00 H new ATOM 121 N GLY A 51 -18.905 7.591 -10.104 1.00 0.00 N ATOM 122 CA GLY A 51 -19.893 8.293 -10.912 1.00 0.00 C ATOM 123 C GLY A 51 -19.484 8.378 -12.370 1.00 0.00 C ATOM 124 O GLY A 51 -19.072 7.377 -12.962 1.00 0.00 O ATOM 0 H GLY A 51 -18.812 6.597 -10.315 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -20.853 7.782 -10.835 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -20.035 9.299 -10.517 1.00 0.00 H new ATOM 128 N ASN A 52 -19.580 9.572 -12.953 1.00 0.00 N ATOM 129 CA ASN A 52 -19.205 9.776 -14.357 1.00 0.00 C ATOM 130 C ASN A 52 -17.678 9.778 -14.538 1.00 0.00 C ATOM 131 O ASN A 52 -17.114 10.689 -15.148 1.00 0.00 O ATOM 132 CB ASN A 52 -19.810 11.085 -14.877 1.00 0.00 C ATOM 133 CG ASN A 52 -20.082 11.049 -16.367 1.00 0.00 C ATOM 134 OD1 ASN A 52 -21.226 10.941 -16.796 1.00 0.00 O ATOM 135 ND2 ASN A 52 -19.029 11.136 -17.166 1.00 0.00 N ATOM 0 H ASN A 52 -19.913 10.412 -12.479 1.00 0.00 H new ATOM 0 HA ASN A 52 -19.603 8.944 -14.938 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -20.740 11.287 -14.346 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -19.131 11.908 -14.655 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -19.154 11.114 -18.178 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -18.094 11.225 -16.769 1.00 0.00 H new ATOM 142 N PHE A 53 -17.025 8.744 -14.004 1.00 0.00 N ATOM 143 CA PHE A 53 -15.564 8.604 -14.094 1.00 0.00 C ATOM 144 C PHE A 53 -15.079 7.321 -13.415 1.00 0.00 C ATOM 145 O PHE A 53 -13.998 7.286 -12.822 1.00 0.00 O ATOM 146 CB PHE A 53 -14.894 9.807 -13.451 1.00 0.00 C ATOM 147 CG PHE A 53 -13.894 10.492 -14.339 1.00 0.00 C ATOM 148 CD1 PHE A 53 -12.852 9.776 -14.907 1.00 0.00 C ATOM 149 CD2 PHE A 53 -13.993 11.848 -14.601 1.00 0.00 C ATOM 150 CE1 PHE A 53 -11.929 10.400 -15.724 1.00 0.00 C ATOM 151 CE2 PHE A 53 -13.074 12.478 -15.417 1.00 0.00 C ATOM 152 CZ PHE A 53 -12.040 11.754 -15.980 1.00 0.00 C ATOM 0 H PHE A 53 -17.485 7.985 -13.501 1.00 0.00 H new ATOM 0 HA PHE A 53 -15.296 8.549 -15.149 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -15.660 10.526 -13.161 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -14.395 9.487 -12.537 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -12.761 8.718 -14.709 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -14.798 12.419 -14.162 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -11.122 9.831 -16.162 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -13.163 13.536 -15.615 1.00 0.00 H new ATOM 0 HZ PHE A 53 -11.320 12.245 -16.618 1.00 0.00 H new ATOM 162 N SER A 54 -15.900 6.281 -13.517 1.00 0.00 N ATOM 163 CA SER A 54 -15.615 4.962 -12.931 1.00 0.00 C ATOM 164 C SER A 54 -16.256 4.816 -11.550 1.00 0.00 C ATOM 165 O SER A 54 -15.708 5.276 -10.545 1.00 0.00 O ATOM 166 CB SER A 54 -14.107 4.694 -12.841 1.00 0.00 C ATOM 167 OG SER A 54 -13.836 3.301 -12.885 1.00 0.00 O ATOM 0 H SER A 54 -16.791 6.323 -14.011 1.00 0.00 H new ATOM 0 HA SER A 54 -16.053 4.220 -13.598 1.00 0.00 H new ATOM 0 HB2 SER A 54 -13.595 5.194 -13.663 1.00 0.00 H new ATOM 0 HB3 SER A 54 -13.713 5.116 -11.916 1.00 0.00 H new ATOM 0 HG SER A 54 -12.869 3.154 -12.828 1.00 0.00 H new ATOM 173 N GLY A 55 -17.421 4.166 -11.509 1.00 0.00 N ATOM 174 CA GLY A 55 -18.128 3.957 -10.252 1.00 0.00 C ATOM 175 C GLY A 55 -18.082 2.507 -9.799 1.00 0.00 C ATOM 176 O GLY A 55 -18.920 1.706 -10.213 1.00 0.00 O ATOM 0 H GLY A 55 -17.889 3.779 -12.328 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -17.689 4.590 -9.481 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -19.167 4.267 -10.366 1.00 0.00 H new ATOM 180 N PRO A 56 -17.102 2.138 -8.954 1.00 0.00 N ATOM 181 CA PRO A 56 -16.955 0.764 -8.462 1.00 0.00 C ATOM 182 C PRO A 56 -17.931 0.426 -7.336 1.00 0.00 C ATOM 183 O PRO A 56 -18.590 1.305 -6.777 1.00 0.00 O ATOM 184 CB PRO A 56 -15.518 0.745 -7.942 1.00 0.00 C ATOM 185 CG PRO A 56 -15.287 2.136 -7.469 1.00 0.00 C ATOM 186 CD PRO A 56 -16.049 3.025 -8.417 1.00 0.00 C ATOM 0 HA PRO A 56 -17.166 0.028 -9.238 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -15.396 0.023 -7.134 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -14.814 0.468 -8.726 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -15.639 2.264 -6.445 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -14.224 2.379 -7.474 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -16.474 3.887 -7.904 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -15.407 3.410 -9.209 1.00 0.00 H new ATOM 194 N TYR A 57 -18.003 -0.857 -7.003 1.00 0.00 N ATOM 195 CA TYR A 57 -18.881 -1.326 -5.935 1.00 0.00 C ATOM 196 C TYR A 57 -18.165 -1.269 -4.581 1.00 0.00 C ATOM 197 O TYR A 57 -17.019 -0.824 -4.494 1.00 0.00 O ATOM 198 CB TYR A 57 -19.355 -2.752 -6.232 1.00 0.00 C ATOM 199 CG TYR A 57 -20.847 -2.940 -6.070 1.00 0.00 C ATOM 200 CD1 TYR A 57 -21.741 -2.301 -6.920 1.00 0.00 C ATOM 201 CD2 TYR A 57 -21.363 -3.752 -5.069 1.00 0.00 C ATOM 202 CE1 TYR A 57 -23.106 -2.467 -6.777 1.00 0.00 C ATOM 203 CE2 TYR A 57 -22.726 -3.923 -4.920 1.00 0.00 C ATOM 204 CZ TYR A 57 -23.592 -3.278 -5.776 1.00 0.00 C ATOM 205 OH TYR A 57 -24.950 -3.443 -5.631 1.00 0.00 O ATOM 0 H TYR A 57 -17.463 -1.594 -7.457 1.00 0.00 H new ATOM 0 HA TYR A 57 -19.750 -0.670 -5.887 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -19.073 -3.015 -7.251 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -18.836 -3.444 -5.569 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -21.363 -1.664 -7.706 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -20.688 -4.259 -4.395 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -23.787 -1.963 -7.447 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -23.111 -4.559 -4.137 1.00 0.00 H new ATOM 0 HH TYR A 57 -25.128 -4.046 -4.880 1.00 0.00 H new ATOM 215 N THR A 58 -18.847 -1.715 -3.527 1.00 0.00 N ATOM 216 CA THR A 58 -18.280 -1.709 -2.176 1.00 0.00 C ATOM 217 C THR A 58 -16.938 -2.441 -2.124 1.00 0.00 C ATOM 218 O THR A 58 -16.885 -3.668 -2.210 1.00 0.00 O ATOM 219 CB THR A 58 -19.254 -2.342 -1.183 1.00 0.00 C ATOM 220 OG1 THR A 58 -20.595 -2.143 -1.598 1.00 0.00 O ATOM 221 CG2 THR A 58 -19.118 -1.783 0.215 1.00 0.00 C ATOM 0 H THR A 58 -19.795 -2.086 -3.581 1.00 0.00 H new ATOM 0 HA THR A 58 -18.110 -0.669 -1.900 1.00 0.00 H new ATOM 0 HB THR A 58 -19.003 -3.403 -1.163 1.00 0.00 H new ATOM 0 HG1 THR A 58 -20.879 -2.896 -2.158 1.00 0.00 H new ATOM 0 HG21 THR A 58 -19.836 -2.272 0.874 1.00 0.00 H new ATOM 0 HG22 THR A 58 -18.108 -1.963 0.582 1.00 0.00 H new ATOM 0 HG23 THR A 58 -19.312 -0.711 0.199 1.00 0.00 H new ATOM 229 N TYR A 59 -15.863 -1.673 -1.982 1.00 0.00 N ATOM 230 CA TYR A 59 -14.508 -2.224 -1.920 1.00 0.00 C ATOM 231 C TYR A 59 -13.592 -1.327 -1.080 1.00 0.00 C ATOM 232 O TYR A 59 -14.025 -0.295 -0.564 1.00 0.00 O ATOM 233 CB TYR A 59 -13.937 -2.351 -3.338 1.00 0.00 C ATOM 234 CG TYR A 59 -14.326 -3.618 -4.066 1.00 0.00 C ATOM 235 CD1 TYR A 59 -14.409 -4.835 -3.401 1.00 0.00 C ATOM 236 CD2 TYR A 59 -14.598 -3.596 -5.427 1.00 0.00 C ATOM 237 CE1 TYR A 59 -14.755 -5.993 -4.073 1.00 0.00 C ATOM 238 CE2 TYR A 59 -14.947 -4.750 -6.104 1.00 0.00 C ATOM 239 CZ TYR A 59 -15.021 -5.943 -5.422 1.00 0.00 C ATOM 240 OH TYR A 59 -15.361 -7.094 -6.094 1.00 0.00 O ATOM 0 H TYR A 59 -15.902 -0.657 -1.907 1.00 0.00 H new ATOM 0 HA TYR A 59 -14.558 -3.207 -1.452 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -14.267 -1.495 -3.926 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -12.850 -2.299 -3.283 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -14.200 -4.877 -2.342 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -14.536 -2.662 -5.966 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -14.816 -6.931 -3.542 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -15.160 -4.715 -7.162 1.00 0.00 H new ATOM 0 HH TYR A 59 -15.518 -6.887 -7.039 1.00 0.00 H new ATOM 250 N CYS A 60 -12.318 -1.716 -0.965 1.00 0.00 N ATOM 251 CA CYS A 60 -11.337 -0.922 -0.209 1.00 0.00 C ATOM 252 C CYS A 60 -11.199 0.470 -0.837 1.00 0.00 C ATOM 253 O CYS A 60 -11.694 0.710 -1.938 1.00 0.00 O ATOM 254 CB CYS A 60 -9.973 -1.630 -0.181 1.00 0.00 C ATOM 255 SG CYS A 60 -10.002 -3.277 0.597 1.00 0.00 S ATOM 0 H CYS A 60 -11.942 -2.568 -1.381 1.00 0.00 H new ATOM 0 HA CYS A 60 -11.689 -0.817 0.817 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -9.607 -1.730 -1.203 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -9.261 -1.001 0.353 1.00 0.00 H new ATOM 260 N ASN A 61 -10.530 1.390 -0.142 1.00 0.00 N ATOM 261 CA ASN A 61 -10.350 2.753 -0.658 1.00 0.00 C ATOM 262 C ASN A 61 -8.874 3.071 -0.919 1.00 0.00 C ATOM 263 O ASN A 61 -7.990 2.461 -0.325 1.00 0.00 O ATOM 264 CB ASN A 61 -10.946 3.769 0.320 1.00 0.00 C ATOM 265 CG ASN A 61 -11.761 4.831 -0.387 1.00 0.00 C ATOM 266 OD1 ASN A 61 -11.212 5.688 -1.074 1.00 0.00 O ATOM 267 ND2 ASN A 61 -13.076 4.775 -0.236 1.00 0.00 N ATOM 0 H ASN A 61 -10.107 1.222 0.771 1.00 0.00 H new ATOM 0 HA ASN A 61 -10.875 2.819 -1.611 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -11.577 3.250 1.042 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -10.142 4.244 0.883 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -13.672 5.461 -0.700 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -13.492 4.046 0.344 1.00 0.00 H new ATOM 274 N THR A 62 -8.619 4.025 -1.818 1.00 0.00 N ATOM 275 CA THR A 62 -7.247 4.417 -2.169 1.00 0.00 C ATOM 276 C THR A 62 -6.611 5.311 -1.101 1.00 0.00 C ATOM 277 O THR A 62 -7.089 6.420 -0.844 1.00 0.00 O ATOM 278 CB THR A 62 -7.221 5.138 -3.521 1.00 0.00 C ATOM 279 OG1 THR A 62 -8.078 4.501 -4.447 1.00 0.00 O ATOM 280 CG2 THR A 62 -5.844 5.188 -4.145 1.00 0.00 C ATOM 0 H THR A 62 -9.343 4.542 -2.317 1.00 0.00 H new ATOM 0 HA THR A 62 -6.663 3.499 -2.232 1.00 0.00 H new ATOM 0 HB THR A 62 -7.550 6.155 -3.309 1.00 0.00 H new ATOM 0 HG1 THR A 62 -8.048 4.978 -5.303 1.00 0.00 H new ATOM 0 HG21 THR A 62 -5.896 5.712 -5.100 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.161 5.715 -3.479 1.00 0.00 H new ATOM 0 HG23 THR A 62 -5.481 4.173 -4.307 1.00 0.00 H new ATOM 288 N THR A 63 -5.523 4.835 -0.483 1.00 0.00 N ATOM 289 CA THR A 63 -4.832 5.616 0.552 1.00 0.00 C ATOM 290 C THR A 63 -3.314 5.394 0.566 1.00 0.00 C ATOM 291 O THR A 63 -2.771 4.621 -0.225 1.00 0.00 O ATOM 292 CB THR A 63 -5.411 5.306 1.932 1.00 0.00 C ATOM 293 OG1 THR A 63 -4.964 6.272 2.881 1.00 0.00 O ATOM 294 CG2 THR A 63 -5.035 3.933 2.447 1.00 0.00 C ATOM 0 H THR A 63 -5.106 3.925 -0.678 1.00 0.00 H new ATOM 0 HA THR A 63 -4.999 6.664 0.304 1.00 0.00 H new ATOM 0 HB THR A 63 -6.494 5.337 1.814 1.00 0.00 H new ATOM 0 HG1 THR A 63 -5.663 6.946 3.016 1.00 0.00 H new ATOM 0 HG21 THR A 63 -5.479 3.779 3.430 1.00 0.00 H new ATOM 0 HG22 THR A 63 -5.404 3.173 1.759 1.00 0.00 H new ATOM 0 HG23 THR A 63 -3.950 3.857 2.523 1.00 0.00 H new ATOM 302 N LEU A 64 -2.648 6.099 1.485 1.00 0.00 N ATOM 303 CA LEU A 64 -1.190 6.039 1.655 1.00 0.00 C ATOM 304 C LEU A 64 -0.805 5.245 2.916 1.00 0.00 C ATOM 305 O LEU A 64 -1.592 5.150 3.862 1.00 0.00 O ATOM 306 CB LEU A 64 -0.653 7.478 1.757 1.00 0.00 C ATOM 307 CG LEU A 64 0.829 7.697 1.426 1.00 0.00 C ATOM 308 CD1 LEU A 64 1.716 7.274 2.585 1.00 0.00 C ATOM 309 CD2 LEU A 64 1.219 6.963 0.158 1.00 0.00 C ATOM 0 H LEU A 64 -3.108 6.733 2.138 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.752 5.527 0.798 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.244 8.107 1.092 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.829 7.833 2.772 1.00 0.00 H new ATOM 0 HG LEU A 64 0.976 8.764 1.258 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.761 7.440 2.323 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.466 7.862 3.468 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.559 6.216 2.796 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.274 7.136 -0.053 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.045 5.895 0.288 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.618 7.330 -0.674 1.00 0.00 H new ATOM 321 N ASP A 65 0.415 4.696 2.930 1.00 0.00 N ATOM 322 CA ASP A 65 0.915 3.930 4.085 1.00 0.00 C ATOM 323 C ASP A 65 2.389 4.237 4.369 1.00 0.00 C ATOM 324 O ASP A 65 3.267 3.426 4.057 1.00 0.00 O ATOM 325 CB ASP A 65 0.755 2.424 3.859 1.00 0.00 C ATOM 326 CG ASP A 65 1.001 1.604 5.115 1.00 0.00 C ATOM 327 OD1 ASP A 65 1.476 2.165 6.128 1.00 0.00 O ATOM 328 OD2 ASP A 65 0.678 0.400 5.100 1.00 0.00 O ATOM 0 H ASP A 65 1.076 4.766 2.157 1.00 0.00 H new ATOM 0 HA ASP A 65 0.318 4.233 4.945 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -0.251 2.222 3.492 1.00 0.00 H new ATOM 0 HB3 ASP A 65 1.448 2.104 3.081 1.00 0.00 H new ATOM 333 N GLN A 66 2.659 5.399 4.967 1.00 0.00 N ATOM 334 CA GLN A 66 4.032 5.801 5.298 1.00 0.00 C ATOM 335 C GLN A 66 4.877 5.967 4.031 1.00 0.00 C ATOM 336 O GLN A 66 5.318 7.068 3.707 1.00 0.00 O ATOM 337 CB GLN A 66 4.672 4.765 6.234 1.00 0.00 C ATOM 338 CG GLN A 66 5.496 5.374 7.359 1.00 0.00 C ATOM 339 CD GLN A 66 6.826 5.923 6.883 1.00 0.00 C ATOM 340 OE1 GLN A 66 6.962 7.117 6.639 1.00 0.00 O ATOM 341 NE2 GLN A 66 7.820 5.055 6.753 1.00 0.00 N ATOM 0 H GLN A 66 1.947 6.079 5.233 1.00 0.00 H new ATOM 0 HA GLN A 66 3.994 6.765 5.806 1.00 0.00 H new ATOM 0 HB2 GLN A 66 3.886 4.147 6.667 1.00 0.00 H new ATOM 0 HB3 GLN A 66 5.310 4.105 5.647 1.00 0.00 H new ATOM 0 HG2 GLN A 66 4.925 6.175 7.829 1.00 0.00 H new ATOM 0 HG3 GLN A 66 5.673 4.618 8.124 1.00 0.00 H new ATOM 0 HE21 GLN A 66 7.667 4.069 6.966 1.00 0.00 H new ATOM 0 HE22 GLN A 66 8.737 5.373 6.440 1.00 0.00 H new ATOM 350 N ILE A 67 5.072 4.865 3.312 1.00 0.00 N ATOM 351 CA ILE A 67 5.835 4.870 2.070 1.00 0.00 C ATOM 352 C ILE A 67 5.026 5.532 0.955 1.00 0.00 C ATOM 353 O ILE A 67 3.792 5.485 0.966 1.00 0.00 O ATOM 354 CB ILE A 67 6.223 3.438 1.622 1.00 0.00 C ATOM 355 CG1 ILE A 67 6.575 2.545 2.824 1.00 0.00 C ATOM 356 CG2 ILE A 67 7.388 3.492 0.649 1.00 0.00 C ATOM 357 CD1 ILE A 67 7.709 3.080 3.672 1.00 0.00 C ATOM 0 H ILE A 67 4.707 3.949 3.573 1.00 0.00 H new ATOM 0 HA ILE A 67 6.749 5.433 2.260 1.00 0.00 H new ATOM 0 HB ILE A 67 5.359 2.999 1.124 1.00 0.00 H new ATOM 0 HG12 ILE A 67 5.690 2.428 3.449 1.00 0.00 H new ATOM 0 HG13 ILE A 67 6.842 1.552 2.461 1.00 0.00 H new ATOM 0 HG21 ILE A 67 7.652 2.480 0.341 1.00 0.00 H new ATOM 0 HG22 ILE A 67 7.104 4.075 -0.227 1.00 0.00 H new ATOM 0 HG23 ILE A 67 8.245 3.959 1.134 1.00 0.00 H new ATOM 0 HD11 ILE A 67 7.899 2.396 4.499 1.00 0.00 H new ATOM 0 HD12 ILE A 67 8.608 3.170 3.062 1.00 0.00 H new ATOM 0 HD13 ILE A 67 7.438 4.060 4.066 1.00 0.00 H new ATOM 369 N GLY A 68 5.717 6.142 -0.008 1.00 0.00 N ATOM 370 CA GLY A 68 5.036 6.805 -1.118 1.00 0.00 C ATOM 371 C GLY A 68 4.293 5.836 -2.027 1.00 0.00 C ATOM 372 O GLY A 68 4.577 5.757 -3.220 1.00 0.00 O ATOM 0 H GLY A 68 6.735 6.191 -0.042 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.330 7.534 -0.720 1.00 0.00 H new ATOM 0 HA3 GLY A 68 5.768 7.358 -1.707 1.00 0.00 H new ATOM 376 N THR A 69 3.339 5.100 -1.460 1.00 0.00 N ATOM 377 CA THR A 69 2.550 4.133 -2.223 1.00 0.00 C ATOM 378 C THR A 69 1.056 4.290 -1.932 1.00 0.00 C ATOM 379 O THR A 69 0.646 4.429 -0.776 1.00 0.00 O ATOM 380 CB THR A 69 3.011 2.704 -1.907 1.00 0.00 C ATOM 381 OG1 THR A 69 2.856 1.869 -3.040 1.00 0.00 O ATOM 382 CG2 THR A 69 2.265 2.047 -0.763 1.00 0.00 C ATOM 0 H THR A 69 3.093 5.155 -0.472 1.00 0.00 H new ATOM 0 HA THR A 69 2.708 4.327 -3.284 1.00 0.00 H new ATOM 0 HB THR A 69 4.056 2.810 -1.616 1.00 0.00 H new ATOM 0 HG1 THR A 69 3.728 1.506 -3.301 1.00 0.00 H new ATOM 0 HG21 THR A 69 2.653 1.040 -0.606 1.00 0.00 H new ATOM 0 HG22 THR A 69 2.402 2.634 0.145 1.00 0.00 H new ATOM 0 HG23 THR A 69 1.203 1.993 -1.004 1.00 0.00 H new ATOM 390 N CYS A 70 0.246 4.269 -2.983 1.00 0.00 N ATOM 391 CA CYS A 70 -1.201 4.410 -2.835 1.00 0.00 C ATOM 392 C CYS A 70 -1.898 3.058 -2.958 1.00 0.00 C ATOM 393 O CYS A 70 -1.757 2.370 -3.968 1.00 0.00 O ATOM 394 CB CYS A 70 -1.760 5.379 -3.880 1.00 0.00 C ATOM 395 SG CYS A 70 -1.424 7.134 -3.524 1.00 0.00 S ATOM 0 H CYS A 70 0.563 4.156 -3.946 1.00 0.00 H new ATOM 0 HA CYS A 70 -1.395 4.812 -1.840 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -1.338 5.130 -4.853 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -2.838 5.234 -3.954 1.00 0.00 H new ATOM 400 N TRP A 71 -2.657 2.691 -1.930 1.00 0.00 N ATOM 401 CA TRP A 71 -3.389 1.421 -1.921 1.00 0.00 C ATOM 402 C TRP A 71 -4.855 1.652 -2.289 1.00 0.00 C ATOM 403 O TRP A 71 -5.658 2.019 -1.431 1.00 0.00 O ATOM 404 CB TRP A 71 -3.291 0.752 -0.546 1.00 0.00 C ATOM 405 CG TRP A 71 -1.910 0.771 0.035 1.00 0.00 C ATOM 406 CD1 TRP A 71 -1.309 1.810 0.685 1.00 0.00 C ATOM 407 CD2 TRP A 71 -0.958 -0.299 0.020 1.00 0.00 C ATOM 408 NE1 TRP A 71 -0.042 1.450 1.072 1.00 0.00 N ATOM 409 CE2 TRP A 71 0.195 0.160 0.680 1.00 0.00 C ATOM 410 CE3 TRP A 71 -0.972 -1.598 -0.486 1.00 0.00 C ATOM 411 CZ2 TRP A 71 1.323 -0.637 0.850 1.00 0.00 C ATOM 412 CZ3 TRP A 71 0.148 -2.391 -0.319 1.00 0.00 C ATOM 413 CH2 TRP A 71 1.281 -1.908 0.346 1.00 0.00 C ATOM 0 H TRP A 71 -2.784 3.254 -1.089 1.00 0.00 H new ATOM 0 HA TRP A 71 -2.939 0.760 -2.662 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -3.972 1.253 0.142 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -3.626 -0.282 -0.630 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -1.763 2.773 0.868 1.00 0.00 H new ATOM 0 HE1 TRP A 71 0.617 2.048 1.571 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -1.843 -1.978 -1.000 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 2.199 -0.266 1.361 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 0.149 -3.399 -0.708 1.00 0.00 H new ATOM 0 HH2 TRP A 71 2.140 -2.552 0.464 1.00 0.00 H new ATOM 424 N PRO A 72 -5.215 1.454 -3.577 1.00 0.00 N ATOM 425 CA PRO A 72 -6.589 1.658 -4.068 1.00 0.00 C ATOM 426 C PRO A 72 -7.567 0.568 -3.620 1.00 0.00 C ATOM 427 O PRO A 72 -7.258 -0.247 -2.749 1.00 0.00 O ATOM 428 CB PRO A 72 -6.417 1.633 -5.591 1.00 0.00 C ATOM 429 CG PRO A 72 -5.229 0.767 -5.815 1.00 0.00 C ATOM 430 CD PRO A 72 -4.302 1.031 -4.660 1.00 0.00 C ATOM 0 HA PRO A 72 -7.021 2.579 -3.677 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -7.301 1.230 -6.084 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -6.259 2.635 -5.990 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -5.514 -0.284 -5.855 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -4.747 1.003 -6.764 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -3.739 0.139 -4.385 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -3.574 1.807 -4.898 1.00 0.00 H new ATOM 438 N GLN A 73 -8.754 0.569 -4.225 1.00 0.00 N ATOM 439 CA GLN A 73 -9.794 -0.408 -3.905 1.00 0.00 C ATOM 440 C GLN A 73 -9.363 -1.835 -4.262 1.00 0.00 C ATOM 441 O GLN A 73 -8.631 -2.054 -5.229 1.00 0.00 O ATOM 442 CB GLN A 73 -11.090 -0.041 -4.625 1.00 0.00 C ATOM 443 CG GLN A 73 -11.004 -0.165 -6.133 1.00 0.00 C ATOM 444 CD GLN A 73 -11.228 1.153 -6.852 1.00 0.00 C ATOM 445 OE1 GLN A 73 -10.780 2.205 -6.402 1.00 0.00 O ATOM 446 NE2 GLN A 73 -11.920 1.107 -7.982 1.00 0.00 N ATOM 0 H GLN A 73 -9.021 1.241 -4.945 1.00 0.00 H new ATOM 0 HA GLN A 73 -9.962 -0.382 -2.828 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -11.892 -0.683 -4.261 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -11.361 0.983 -4.368 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -10.024 -0.558 -6.404 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -11.744 -0.889 -6.475 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -12.277 0.215 -8.326 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -12.096 1.963 -8.508 1.00 0.00 H new ATOM 455 N SER A 74 -9.829 -2.801 -3.471 1.00 0.00 N ATOM 456 CA SER A 74 -9.502 -4.213 -3.692 1.00 0.00 C ATOM 457 C SER A 74 -10.652 -5.122 -3.254 1.00 0.00 C ATOM 458 O SER A 74 -11.392 -5.637 -4.090 1.00 0.00 O ATOM 459 CB SER A 74 -8.221 -4.594 -2.942 1.00 0.00 C ATOM 460 OG SER A 74 -7.552 -5.655 -3.604 1.00 0.00 O ATOM 0 H SER A 74 -10.436 -2.633 -2.669 1.00 0.00 H new ATOM 0 HA SER A 74 -9.342 -4.352 -4.761 1.00 0.00 H new ATOM 0 HB2 SER A 74 -7.562 -3.728 -2.873 1.00 0.00 H new ATOM 0 HB3 SER A 74 -8.465 -4.891 -1.922 1.00 0.00 H new ATOM 0 HG SER A 74 -6.736 -5.884 -3.113 1.00 0.00 H new ATOM 466 N ALA A 75 -10.790 -5.310 -1.936 1.00 0.00 N ATOM 467 CA ALA A 75 -11.846 -6.154 -1.373 1.00 0.00 C ATOM 468 C ALA A 75 -11.726 -6.251 0.153 1.00 0.00 C ATOM 469 O ALA A 75 -10.619 -6.352 0.692 1.00 0.00 O ATOM 470 CB ALA A 75 -11.801 -7.545 -1.993 1.00 0.00 C ATOM 0 H ALA A 75 -10.179 -4.886 -1.238 1.00 0.00 H new ATOM 0 HA ALA A 75 -12.805 -5.692 -1.608 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -12.592 -8.160 -1.564 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -11.945 -7.468 -3.071 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -10.834 -8.003 -1.788 1.00 0.00 H new ATOM 476 N PRO A 76 -12.868 -6.229 0.871 1.00 0.00 N ATOM 477 CA PRO A 76 -12.880 -6.328 2.338 1.00 0.00 C ATOM 478 C PRO A 76 -12.354 -7.682 2.819 1.00 0.00 C ATOM 479 O PRO A 76 -12.967 -8.720 2.569 1.00 0.00 O ATOM 480 CB PRO A 76 -14.360 -6.157 2.699 1.00 0.00 C ATOM 481 CG PRO A 76 -15.103 -6.534 1.464 1.00 0.00 C ATOM 482 CD PRO A 76 -14.230 -6.120 0.314 1.00 0.00 C ATOM 0 HA PRO A 76 -12.235 -5.586 2.809 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -14.638 -6.795 3.538 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -14.579 -5.131 2.994 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -15.300 -7.606 1.439 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -16.069 -6.032 1.421 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -14.366 -6.771 -0.550 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -14.451 -5.104 -0.015 1.00 0.00 H new ATOM 490 N GLY A 77 -11.207 -7.664 3.493 1.00 0.00 N ATOM 491 CA GLY A 77 -10.603 -8.897 3.982 1.00 0.00 C ATOM 492 C GLY A 77 -9.615 -9.472 2.988 1.00 0.00 C ATOM 493 O GLY A 77 -9.698 -10.646 2.630 1.00 0.00 O ATOM 0 H GLY A 77 -10.682 -6.817 3.711 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -10.096 -8.704 4.928 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -11.384 -9.630 4.183 1.00 0.00 H new ATOM 497 N ALA A 78 -8.682 -8.635 2.529 1.00 0.00 N ATOM 498 CA ALA A 78 -7.682 -9.056 1.556 1.00 0.00 C ATOM 499 C ALA A 78 -6.354 -8.325 1.751 1.00 0.00 C ATOM 500 O ALA A 78 -6.319 -7.108 1.946 1.00 0.00 O ATOM 501 CB ALA A 78 -8.206 -8.825 0.143 1.00 0.00 C ATOM 0 H ALA A 78 -8.601 -7.660 2.819 1.00 0.00 H new ATOM 0 HA ALA A 78 -7.496 -10.119 1.708 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -7.454 -9.141 -0.580 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -9.118 -9.403 -0.006 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -8.420 -7.766 0.003 1.00 0.00 H new ATOM 507 N LEU A 79 -5.268 -9.080 1.671 1.00 0.00 N ATOM 508 CA LEU A 79 -3.922 -8.526 1.803 1.00 0.00 C ATOM 509 C LEU A 79 -3.373 -8.151 0.427 1.00 0.00 C ATOM 510 O LEU A 79 -3.452 -8.939 -0.517 1.00 0.00 O ATOM 511 CB LEU A 79 -2.992 -9.535 2.491 1.00 0.00 C ATOM 512 CG LEU A 79 -1.551 -9.059 2.711 1.00 0.00 C ATOM 513 CD1 LEU A 79 -0.956 -9.722 3.942 1.00 0.00 C ATOM 514 CD2 LEU A 79 -0.700 -9.358 1.488 1.00 0.00 C ATOM 0 H LEU A 79 -5.291 -10.088 1.514 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.972 -7.628 2.419 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.421 -9.798 3.458 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.968 -10.447 1.894 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.565 -7.981 2.869 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.067 -9.374 4.084 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.552 -9.465 4.818 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -0.956 -10.804 3.808 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.320 -9.014 1.661 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.694 -10.432 1.303 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.115 -8.843 0.621 1.00 0.00 H new ATOM 526 N VAL A 80 -2.828 -6.945 0.314 1.00 0.00 N ATOM 527 CA VAL A 80 -2.275 -6.466 -0.949 1.00 0.00 C ATOM 528 C VAL A 80 -0.769 -6.230 -0.839 1.00 0.00 C ATOM 529 O VAL A 80 -0.303 -5.490 0.031 1.00 0.00 O ATOM 530 CB VAL A 80 -2.966 -5.165 -1.408 1.00 0.00 C ATOM 531 CG1 VAL A 80 -2.531 -4.789 -2.815 1.00 0.00 C ATOM 532 CG2 VAL A 80 -4.480 -5.309 -1.340 1.00 0.00 C ATOM 0 H VAL A 80 -2.757 -6.279 1.083 1.00 0.00 H new ATOM 0 HA VAL A 80 -2.459 -7.243 -1.691 1.00 0.00 H new ATOM 0 HB VAL A 80 -2.664 -4.365 -0.732 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -3.031 -3.869 -3.117 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -1.452 -4.638 -2.834 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -2.798 -5.590 -3.505 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -4.949 -4.381 -1.668 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -4.797 -6.125 -1.989 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.779 -5.524 -0.314 1.00 0.00 H new ATOM 542 N GLU A 81 -0.018 -6.874 -1.727 1.00 0.00 N ATOM 543 CA GLU A 81 1.441 -6.763 -1.747 1.00 0.00 C ATOM 544 C GLU A 81 1.921 -5.794 -2.829 1.00 0.00 C ATOM 545 O GLU A 81 1.150 -5.370 -3.691 1.00 0.00 O ATOM 546 CB GLU A 81 2.065 -8.143 -1.973 1.00 0.00 C ATOM 547 CG GLU A 81 1.697 -9.159 -0.903 1.00 0.00 C ATOM 548 CD GLU A 81 0.549 -10.069 -1.305 1.00 0.00 C ATOM 549 OE1 GLU A 81 -0.470 -9.557 -1.817 1.00 0.00 O ATOM 550 OE2 GLU A 81 0.667 -11.293 -1.101 1.00 0.00 O ATOM 0 H GLU A 81 -0.398 -7.485 -2.450 1.00 0.00 H new ATOM 0 HA GLU A 81 1.758 -6.369 -0.781 1.00 0.00 H new ATOM 0 HB2 GLU A 81 1.749 -8.521 -2.945 1.00 0.00 H new ATOM 0 HB3 GLU A 81 3.150 -8.041 -2.008 1.00 0.00 H new ATOM 0 HG2 GLU A 81 2.571 -9.769 -0.675 1.00 0.00 H new ATOM 0 HG3 GLU A 81 1.429 -8.631 0.012 1.00 0.00 H new ATOM 557 N ARG A 82 3.207 -5.456 -2.773 1.00 0.00 N ATOM 558 CA ARG A 82 3.823 -4.541 -3.734 1.00 0.00 C ATOM 559 C ARG A 82 5.329 -4.430 -3.467 1.00 0.00 C ATOM 560 O ARG A 82 5.756 -4.475 -2.317 1.00 0.00 O ATOM 561 CB ARG A 82 3.159 -3.160 -3.649 1.00 0.00 C ATOM 562 CG ARG A 82 3.170 -2.565 -2.246 1.00 0.00 C ATOM 563 CD ARG A 82 3.016 -1.051 -2.265 1.00 0.00 C ATOM 564 NE ARG A 82 4.130 -0.379 -1.585 1.00 0.00 N ATOM 565 CZ ARG A 82 5.364 -0.317 -2.063 1.00 0.00 C ATOM 566 NH1 ARG A 82 5.650 -0.852 -3.230 1.00 0.00 N ATOM 567 NH2 ARG A 82 6.309 0.303 -1.383 1.00 0.00 N ATOM 0 H ARG A 82 3.850 -5.807 -2.063 1.00 0.00 H new ATOM 0 HA ARG A 82 3.677 -4.935 -4.740 1.00 0.00 H new ATOM 0 HB2 ARG A 82 3.670 -2.478 -4.328 1.00 0.00 H new ATOM 0 HB3 ARG A 82 2.128 -3.240 -3.993 1.00 0.00 H new ATOM 0 HG2 ARG A 82 2.362 -3.004 -1.660 1.00 0.00 H new ATOM 0 HG3 ARG A 82 4.104 -2.828 -1.749 1.00 0.00 H new ATOM 0 HD2 ARG A 82 2.959 -0.705 -3.297 1.00 0.00 H new ATOM 0 HD3 ARG A 82 2.078 -0.775 -1.784 1.00 0.00 H new ATOM 0 HE ARG A 82 3.942 0.068 -0.688 1.00 0.00 H new ATOM 0 HH11 ARG A 82 4.920 -1.317 -3.771 1.00 0.00 H new ATOM 0 HH12 ARG A 82 6.601 -0.802 -3.595 1.00 0.00 H new ATOM 0 HH21 ARG A 82 6.091 0.737 -0.486 1.00 0.00 H new ATOM 0 HH22 ARG A 82 7.258 0.349 -1.754 1.00 0.00 H new ATOM 581 N PRO A 83 6.160 -4.294 -4.520 1.00 0.00 N ATOM 582 CA PRO A 83 7.625 -4.190 -4.377 1.00 0.00 C ATOM 583 C PRO A 83 8.051 -3.207 -3.276 1.00 0.00 C ATOM 584 O PRO A 83 7.771 -2.011 -3.361 1.00 0.00 O ATOM 585 CB PRO A 83 8.090 -3.696 -5.759 1.00 0.00 C ATOM 586 CG PRO A 83 6.844 -3.398 -6.534 1.00 0.00 C ATOM 587 CD PRO A 83 5.758 -4.237 -5.927 1.00 0.00 C ATOM 0 HA PRO A 83 8.067 -5.141 -4.080 1.00 0.00 H new ATOM 0 HB2 PRO A 83 8.713 -2.806 -5.666 1.00 0.00 H new ATOM 0 HB3 PRO A 83 8.690 -4.454 -6.262 1.00 0.00 H new ATOM 0 HG2 PRO A 83 6.595 -2.338 -6.476 1.00 0.00 H new ATOM 0 HG3 PRO A 83 6.976 -3.637 -7.589 1.00 0.00 H new ATOM 0 HD2 PRO A 83 4.775 -3.783 -6.051 1.00 0.00 H new ATOM 0 HD3 PRO A 83 5.710 -5.229 -6.377 1.00 0.00 H new ATOM 595 N CYS A 84 8.727 -3.725 -2.246 1.00 0.00 N ATOM 596 CA CYS A 84 9.197 -2.900 -1.115 1.00 0.00 C ATOM 597 C CYS A 84 9.876 -1.608 -1.587 1.00 0.00 C ATOM 598 O CYS A 84 10.381 -1.539 -2.707 1.00 0.00 O ATOM 599 CB CYS A 84 10.178 -3.698 -0.247 1.00 0.00 C ATOM 600 SG CYS A 84 9.419 -4.485 1.211 1.00 0.00 S ATOM 0 H CYS A 84 8.964 -4.714 -2.167 1.00 0.00 H new ATOM 0 HA CYS A 84 8.318 -2.628 -0.531 1.00 0.00 H new ATOM 0 HB2 CYS A 84 10.644 -4.469 -0.861 1.00 0.00 H new ATOM 0 HB3 CYS A 84 10.974 -3.032 0.087 1.00 0.00 H new ATOM 605 N PRO A 85 9.913 -0.564 -0.725 1.00 0.00 N ATOM 606 CA PRO A 85 10.554 0.718 -1.059 1.00 0.00 C ATOM 607 C PRO A 85 11.973 0.509 -1.597 1.00 0.00 C ATOM 608 O PRO A 85 12.887 0.166 -0.847 1.00 0.00 O ATOM 609 CB PRO A 85 10.571 1.485 0.276 1.00 0.00 C ATOM 610 CG PRO A 85 10.207 0.482 1.323 1.00 0.00 C ATOM 611 CD PRO A 85 9.363 -0.553 0.638 1.00 0.00 C ATOM 0 HA PRO A 85 10.023 1.257 -1.844 1.00 0.00 H new ATOM 0 HB2 PRO A 85 11.555 1.913 0.469 1.00 0.00 H new ATOM 0 HB3 PRO A 85 9.861 2.312 0.262 1.00 0.00 H new ATOM 0 HG2 PRO A 85 11.100 0.031 1.757 1.00 0.00 H new ATOM 0 HG3 PRO A 85 9.659 0.953 2.139 1.00 0.00 H new ATOM 0 HD2 PRO A 85 9.449 -1.528 1.118 1.00 0.00 H new ATOM 0 HD3 PRO A 85 8.306 -0.285 0.647 1.00 0.00 H new ATOM 619 N GLU A 86 12.120 0.681 -2.915 1.00 0.00 N ATOM 620 CA GLU A 86 13.392 0.479 -3.621 1.00 0.00 C ATOM 621 C GLU A 86 14.518 1.436 -3.166 1.00 0.00 C ATOM 622 O GLU A 86 14.615 1.781 -1.987 1.00 0.00 O ATOM 623 CB GLU A 86 13.147 0.597 -5.129 1.00 0.00 C ATOM 624 CG GLU A 86 13.857 -0.476 -5.943 1.00 0.00 C ATOM 625 CD GLU A 86 13.930 -0.146 -7.418 1.00 0.00 C ATOM 626 OE1 GLU A 86 12.918 0.322 -7.980 1.00 0.00 O ATOM 627 OE2 GLU A 86 15.009 -0.355 -8.010 1.00 0.00 O ATOM 0 H GLU A 86 11.355 0.966 -3.527 1.00 0.00 H new ATOM 0 HA GLU A 86 13.749 -0.520 -3.370 1.00 0.00 H new ATOM 0 HB2 GLU A 86 12.076 0.539 -5.321 1.00 0.00 H new ATOM 0 HB3 GLU A 86 13.479 1.578 -5.468 1.00 0.00 H new ATOM 0 HG2 GLU A 86 14.867 -0.610 -5.556 1.00 0.00 H new ATOM 0 HG3 GLU A 86 13.338 -1.426 -5.814 1.00 0.00 H new ATOM 634 N TYR A 87 15.393 1.827 -4.109 1.00 0.00 N ATOM 635 CA TYR A 87 16.541 2.704 -3.823 1.00 0.00 C ATOM 636 C TYR A 87 16.131 4.064 -3.222 1.00 0.00 C ATOM 637 O TYR A 87 16.324 5.116 -3.835 1.00 0.00 O ATOM 638 CB TYR A 87 17.381 2.921 -5.099 1.00 0.00 C ATOM 639 CG TYR A 87 16.590 3.352 -6.324 1.00 0.00 C ATOM 640 CD1 TYR A 87 16.038 2.413 -7.185 1.00 0.00 C ATOM 641 CD2 TYR A 87 16.407 4.697 -6.623 1.00 0.00 C ATOM 642 CE1 TYR A 87 15.327 2.799 -8.306 1.00 0.00 C ATOM 643 CE2 TYR A 87 15.694 5.091 -7.741 1.00 0.00 C ATOM 644 CZ TYR A 87 15.157 4.138 -8.579 1.00 0.00 C ATOM 645 OH TYR A 87 14.451 4.528 -9.695 1.00 0.00 O ATOM 0 H TYR A 87 15.325 1.545 -5.087 1.00 0.00 H new ATOM 0 HA TYR A 87 17.140 2.194 -3.068 1.00 0.00 H new ATOM 0 HB2 TYR A 87 18.141 3.675 -4.892 1.00 0.00 H new ATOM 0 HB3 TYR A 87 17.906 1.995 -5.332 1.00 0.00 H new ATOM 0 HD1 TYR A 87 16.166 1.361 -6.975 1.00 0.00 H new ATOM 0 HD2 TYR A 87 16.829 5.448 -5.971 1.00 0.00 H new ATOM 0 HE1 TYR A 87 14.907 2.054 -8.965 1.00 0.00 H new ATOM 0 HE2 TYR A 87 15.559 6.141 -7.956 1.00 0.00 H new ATOM 0 HH TYR A 87 14.424 5.507 -9.739 1.00 0.00 H new ATOM 655 N PHE A 88 15.580 4.036 -2.010 1.00 0.00 N ATOM 656 CA PHE A 88 15.159 5.260 -1.323 1.00 0.00 C ATOM 657 C PHE A 88 16.161 5.688 -0.243 1.00 0.00 C ATOM 658 O PHE A 88 16.028 6.761 0.347 1.00 0.00 O ATOM 659 CB PHE A 88 13.770 5.064 -0.707 1.00 0.00 C ATOM 660 CG PHE A 88 12.658 5.648 -1.530 1.00 0.00 C ATOM 661 CD1 PHE A 88 12.133 4.947 -2.604 1.00 0.00 C ATOM 662 CD2 PHE A 88 12.139 6.899 -1.233 1.00 0.00 C ATOM 663 CE1 PHE A 88 11.112 5.482 -3.366 1.00 0.00 C ATOM 664 CE2 PHE A 88 11.118 7.439 -1.992 1.00 0.00 C ATOM 665 CZ PHE A 88 10.603 6.730 -3.060 1.00 0.00 C ATOM 0 H PHE A 88 15.414 3.180 -1.481 1.00 0.00 H new ATOM 0 HA PHE A 88 15.120 6.057 -2.065 1.00 0.00 H new ATOM 0 HB2 PHE A 88 13.589 3.998 -0.572 1.00 0.00 H new ATOM 0 HB3 PHE A 88 13.754 5.518 0.284 1.00 0.00 H new ATOM 0 HD1 PHE A 88 12.526 3.971 -2.848 1.00 0.00 H new ATOM 0 HD2 PHE A 88 12.537 7.458 -0.399 1.00 0.00 H new ATOM 0 HE1 PHE A 88 10.712 4.925 -4.200 1.00 0.00 H new ATOM 0 HE2 PHE A 88 10.723 8.415 -1.750 1.00 0.00 H new ATOM 0 HZ PHE A 88 9.805 7.150 -3.654 1.00 0.00 H new ATOM 675 N ASN A 89 17.165 4.848 0.008 1.00 0.00 N ATOM 676 CA ASN A 89 18.191 5.137 1.011 1.00 0.00 C ATOM 677 C ASN A 89 19.596 4.868 0.457 1.00 0.00 C ATOM 678 O ASN A 89 20.453 4.320 1.154 1.00 0.00 O ATOM 679 CB ASN A 89 17.942 4.289 2.266 1.00 0.00 C ATOM 680 CG ASN A 89 18.533 4.903 3.519 1.00 0.00 C ATOM 681 OD1 ASN A 89 17.813 5.401 4.377 1.00 0.00 O ATOM 682 ND2 ASN A 89 19.853 4.874 3.632 1.00 0.00 N ATOM 0 H ASN A 89 17.290 3.957 -0.472 1.00 0.00 H new ATOM 0 HA ASN A 89 18.131 6.194 1.272 1.00 0.00 H new ATOM 0 HB2 ASN A 89 16.869 4.158 2.403 1.00 0.00 H new ATOM 0 HB3 ASN A 89 18.368 3.297 2.118 1.00 0.00 H new ATOM 0 HD21 ASN A 89 20.303 5.275 4.455 1.00 0.00 H new ATOM 0 HD22 ASN A 89 20.419 4.450 2.896 1.00 0.00 H new ATOM 689 N GLY A 90 19.822 5.254 -0.802 1.00 0.00 N ATOM 690 CA GLY A 90 21.123 5.039 -1.429 1.00 0.00 C ATOM 691 C GLY A 90 21.524 3.573 -1.457 1.00 0.00 C ATOM 692 O GLY A 90 22.681 3.236 -1.208 1.00 0.00 O ATOM 0 H GLY A 90 19.131 5.710 -1.397 1.00 0.00 H new ATOM 0 HA2 GLY A 90 21.099 5.425 -2.448 1.00 0.00 H new ATOM 0 HA3 GLY A 90 21.880 5.609 -0.890 1.00 0.00 H new ATOM 696 N ILE A 91 20.560 2.705 -1.759 1.00 0.00 N ATOM 697 CA ILE A 91 20.805 1.263 -1.817 1.00 0.00 C ATOM 698 C ILE A 91 20.265 0.657 -3.114 1.00 0.00 C ATOM 699 O ILE A 91 19.158 0.978 -3.550 1.00 0.00 O ATOM 700 CB ILE A 91 20.171 0.514 -0.614 1.00 0.00 C ATOM 701 CG1 ILE A 91 18.890 1.208 -0.134 1.00 0.00 C ATOM 702 CG2 ILE A 91 21.167 0.405 0.528 1.00 0.00 C ATOM 703 CD1 ILE A 91 17.641 0.729 -0.841 1.00 0.00 C ATOM 0 H ILE A 91 19.599 2.975 -1.968 1.00 0.00 H new ATOM 0 HA ILE A 91 21.887 1.139 -1.778 1.00 0.00 H new ATOM 0 HB ILE A 91 19.905 -0.488 -0.950 1.00 0.00 H new ATOM 0 HG12 ILE A 91 18.777 1.043 0.937 1.00 0.00 H new ATOM 0 HG13 ILE A 91 18.992 2.283 -0.282 1.00 0.00 H new ATOM 0 HG21 ILE A 91 20.707 -0.123 1.363 1.00 0.00 H new ATOM 0 HG22 ILE A 91 22.047 -0.144 0.192 1.00 0.00 H new ATOM 0 HG23 ILE A 91 21.463 1.404 0.849 1.00 0.00 H new ATOM 0 HD11 ILE A 91 16.775 1.263 -0.451 1.00 0.00 H new ATOM 0 HD12 ILE A 91 17.733 0.919 -1.910 1.00 0.00 H new ATOM 0 HD13 ILE A 91 17.515 -0.340 -0.672 1.00 0.00 H new ATOM 715 N LYS A 92 21.053 -0.227 -3.722 1.00 0.00 N ATOM 716 CA LYS A 92 20.655 -0.889 -4.963 1.00 0.00 C ATOM 717 C LYS A 92 21.012 -2.376 -4.915 1.00 0.00 C ATOM 718 O LYS A 92 22.084 -2.789 -5.362 1.00 0.00 O ATOM 719 CB LYS A 92 21.314 -0.212 -6.167 1.00 0.00 C ATOM 720 CG LYS A 92 20.316 0.298 -7.197 1.00 0.00 C ATOM 721 CD LYS A 92 19.671 -0.849 -7.965 1.00 0.00 C ATOM 722 CE LYS A 92 18.200 -1.009 -7.609 1.00 0.00 C ATOM 723 NZ LYS A 92 17.312 -0.553 -8.715 1.00 0.00 N ATOM 0 H LYS A 92 21.972 -0.502 -3.375 1.00 0.00 H new ATOM 0 HA LYS A 92 19.574 -0.800 -5.071 1.00 0.00 H new ATOM 0 HB2 LYS A 92 21.922 0.622 -5.817 1.00 0.00 H new ATOM 0 HB3 LYS A 92 21.990 -0.920 -6.647 1.00 0.00 H new ATOM 0 HG2 LYS A 92 19.543 0.883 -6.698 1.00 0.00 H new ATOM 0 HG3 LYS A 92 20.821 0.966 -7.895 1.00 0.00 H new ATOM 0 HD2 LYS A 92 19.769 -0.670 -9.036 1.00 0.00 H new ATOM 0 HD3 LYS A 92 20.201 -1.776 -7.747 1.00 0.00 H new ATOM 0 HE2 LYS A 92 17.992 -2.055 -7.383 1.00 0.00 H new ATOM 0 HE3 LYS A 92 17.980 -0.438 -6.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 16.407 -0.226 -8.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 17.769 0.228 -9.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 17.139 -1.343 -9.369 1.00 0.00 H new ATOM 737 N TYR A 93 20.105 -3.164 -4.345 1.00 0.00 N ATOM 738 CA TYR A 93 20.301 -4.610 -4.197 1.00 0.00 C ATOM 739 C TYR A 93 19.060 -5.255 -3.568 1.00 0.00 C ATOM 740 O TYR A 93 18.024 -4.609 -3.458 1.00 0.00 O ATOM 741 CB TYR A 93 21.528 -4.870 -3.305 1.00 0.00 C ATOM 742 CG TYR A 93 21.229 -4.763 -1.819 1.00 0.00 C ATOM 743 CD1 TYR A 93 20.472 -3.709 -1.317 1.00 0.00 C ATOM 744 CD2 TYR A 93 21.688 -5.721 -0.924 1.00 0.00 C ATOM 745 CE1 TYR A 93 20.184 -3.612 0.030 1.00 0.00 C ATOM 746 CE2 TYR A 93 21.400 -5.631 0.427 1.00 0.00 C ATOM 747 CZ TYR A 93 20.650 -4.576 0.896 1.00 0.00 C ATOM 748 OH TYR A 93 20.360 -4.486 2.235 1.00 0.00 O ATOM 0 H TYR A 93 19.218 -2.825 -3.974 1.00 0.00 H new ATOM 0 HA TYR A 93 20.462 -5.049 -5.182 1.00 0.00 H new ATOM 0 HB2 TYR A 93 21.919 -5.865 -3.518 1.00 0.00 H new ATOM 0 HB3 TYR A 93 22.312 -4.158 -3.562 1.00 0.00 H new ATOM 0 HD1 TYR A 93 20.103 -2.953 -1.994 1.00 0.00 H new ATOM 0 HD2 TYR A 93 22.279 -6.549 -1.288 1.00 0.00 H new ATOM 0 HE1 TYR A 93 19.597 -2.785 0.402 1.00 0.00 H new ATOM 0 HE2 TYR A 93 21.762 -6.385 1.110 1.00 0.00 H new ATOM 0 HH TYR A 93 20.761 -5.244 2.708 1.00 0.00 H new ATOM 758 N ASN A 94 19.197 -6.511 -3.126 1.00 0.00 N ATOM 759 CA ASN A 94 18.116 -7.254 -2.450 1.00 0.00 C ATOM 760 C ASN A 94 16.700 -6.837 -2.888 1.00 0.00 C ATOM 761 O ASN A 94 15.792 -6.747 -2.058 1.00 0.00 O ATOM 762 CB ASN A 94 18.262 -7.041 -0.939 1.00 0.00 C ATOM 763 CG ASN A 94 18.459 -8.330 -0.171 1.00 0.00 C ATOM 764 OD1 ASN A 94 18.265 -9.425 -0.699 1.00 0.00 O ATOM 765 ND2 ASN A 94 18.848 -8.206 1.087 1.00 0.00 N ATOM 0 H ASN A 94 20.060 -7.045 -3.225 1.00 0.00 H new ATOM 0 HA ASN A 94 18.221 -8.302 -2.729 1.00 0.00 H new ATOM 0 HB2 ASN A 94 19.109 -6.381 -0.752 1.00 0.00 H new ATOM 0 HB3 ASN A 94 17.374 -6.534 -0.563 1.00 0.00 H new ATOM 0 HD21 ASN A 94 18.999 -9.037 1.659 1.00 0.00 H new ATOM 0 HD22 ASN A 94 18.997 -7.279 1.486 1.00 0.00 H new ATOM 772 N THR A 95 16.500 -6.596 -4.180 1.00 0.00 N ATOM 773 CA THR A 95 15.186 -6.190 -4.691 1.00 0.00 C ATOM 774 C THR A 95 14.263 -7.398 -4.852 1.00 0.00 C ATOM 775 O THR A 95 13.680 -7.622 -5.915 1.00 0.00 O ATOM 776 CB THR A 95 15.335 -5.435 -6.020 1.00 0.00 C ATOM 777 OG1 THR A 95 16.678 -5.024 -6.223 1.00 0.00 O ATOM 778 CG2 THR A 95 14.465 -4.198 -6.100 1.00 0.00 C ATOM 0 H THR A 95 17.225 -6.673 -4.893 1.00 0.00 H new ATOM 0 HA THR A 95 14.731 -5.518 -3.963 1.00 0.00 H new ATOM 0 HB THR A 95 15.019 -6.141 -6.788 1.00 0.00 H new ATOM 0 HG1 THR A 95 16.749 -4.547 -7.076 1.00 0.00 H new ATOM 0 HG21 THR A 95 14.616 -3.709 -7.062 1.00 0.00 H new ATOM 0 HG22 THR A 95 13.418 -4.482 -5.997 1.00 0.00 H new ATOM 0 HG23 THR A 95 14.735 -3.511 -5.298 1.00 0.00 H new ATOM 786 N THR A 96 14.147 -8.175 -3.782 1.00 0.00 N ATOM 787 CA THR A 96 13.306 -9.378 -3.776 1.00 0.00 C ATOM 788 C THR A 96 12.353 -9.401 -2.573 1.00 0.00 C ATOM 789 O THR A 96 12.287 -10.391 -1.844 1.00 0.00 O ATOM 790 CB THR A 96 14.185 -10.638 -3.768 1.00 0.00 C ATOM 791 OG1 THR A 96 15.395 -10.412 -3.055 1.00 0.00 O ATOM 792 CG2 THR A 96 14.553 -11.119 -5.154 1.00 0.00 C ATOM 0 H THR A 96 14.626 -7.996 -2.899 1.00 0.00 H new ATOM 0 HA THR A 96 12.701 -9.360 -4.682 1.00 0.00 H new ATOM 0 HB THR A 96 13.581 -11.404 -3.281 1.00 0.00 H new ATOM 0 HG1 THR A 96 15.764 -11.270 -2.758 1.00 0.00 H new ATOM 0 HG21 THR A 96 15.174 -12.011 -5.076 1.00 0.00 H new ATOM 0 HG22 THR A 96 13.646 -11.355 -5.710 1.00 0.00 H new ATOM 0 HG23 THR A 96 15.105 -10.337 -5.676 1.00 0.00 H new ATOM 800 N ARG A 97 11.611 -8.311 -2.368 1.00 0.00 N ATOM 801 CA ARG A 97 10.662 -8.227 -1.252 1.00 0.00 C ATOM 802 C ARG A 97 9.387 -7.486 -1.654 1.00 0.00 C ATOM 803 O ARG A 97 9.307 -6.903 -2.737 1.00 0.00 O ATOM 804 CB ARG A 97 11.308 -7.536 -0.049 1.00 0.00 C ATOM 805 CG ARG A 97 12.314 -8.408 0.687 1.00 0.00 C ATOM 806 CD ARG A 97 13.631 -7.681 0.904 1.00 0.00 C ATOM 807 NE ARG A 97 14.695 -8.593 1.323 1.00 0.00 N ATOM 808 CZ ARG A 97 15.339 -9.425 0.517 1.00 0.00 C ATOM 809 NH1 ARG A 97 15.003 -9.516 -0.754 1.00 0.00 N ATOM 810 NH2 ARG A 97 16.321 -10.163 0.992 1.00 0.00 N ATOM 0 H ARG A 97 11.647 -7.478 -2.955 1.00 0.00 H new ATOM 0 HA ARG A 97 10.390 -9.246 -0.977 1.00 0.00 H new ATOM 0 HB2 ARG A 97 11.806 -6.627 -0.387 1.00 0.00 H new ATOM 0 HB3 ARG A 97 10.527 -7.231 0.647 1.00 0.00 H new ATOM 0 HG2 ARG A 97 11.900 -8.708 1.650 1.00 0.00 H new ATOM 0 HG3 ARG A 97 12.491 -9.320 0.118 1.00 0.00 H new ATOM 0 HD2 ARG A 97 13.925 -7.179 -0.018 1.00 0.00 H new ATOM 0 HD3 ARG A 97 13.498 -6.907 1.660 1.00 0.00 H new ATOM 0 HE ARG A 97 14.961 -8.588 2.308 1.00 0.00 H new ATOM 0 HH11 ARG A 97 14.243 -8.944 -1.123 1.00 0.00 H new ATOM 0 HH12 ARG A 97 15.503 -10.158 -1.369 1.00 0.00 H new ATOM 0 HH21 ARG A 97 16.582 -10.092 1.975 1.00 0.00 H new ATOM 0 HH22 ARG A 97 16.820 -10.805 0.376 1.00 0.00 H new ATOM 824 N ASN A 98 8.384 -7.513 -0.777 1.00 0.00 N ATOM 825 CA ASN A 98 7.110 -6.847 -1.058 1.00 0.00 C ATOM 826 C ASN A 98 6.468 -6.251 0.200 1.00 0.00 C ATOM 827 O ASN A 98 6.614 -6.776 1.304 1.00 0.00 O ATOM 828 CB ASN A 98 6.117 -7.821 -1.727 1.00 0.00 C ATOM 829 CG ASN A 98 6.706 -9.193 -2.021 1.00 0.00 C ATOM 830 OD1 ASN A 98 6.820 -10.037 -1.131 1.00 0.00 O ATOM 831 ND2 ASN A 98 7.078 -9.427 -3.273 1.00 0.00 N ATOM 0 H ASN A 98 8.426 -7.984 0.127 1.00 0.00 H new ATOM 0 HA ASN A 98 7.336 -6.027 -1.739 1.00 0.00 H new ATOM 0 HB2 ASN A 98 5.248 -7.940 -1.080 1.00 0.00 H new ATOM 0 HB3 ASN A 98 5.763 -7.381 -2.659 1.00 0.00 H new ATOM 0 HD21 ASN A 98 7.475 -10.332 -3.527 1.00 0.00 H new ATOM 0 HD22 ASN A 98 6.967 -8.702 -3.982 1.00 0.00 H new ATOM 838 N ALA A 99 5.730 -5.159 0.000 1.00 0.00 N ATOM 839 CA ALA A 99 5.014 -4.475 1.074 1.00 0.00 C ATOM 840 C ALA A 99 3.594 -5.037 1.176 1.00 0.00 C ATOM 841 O ALA A 99 2.747 -4.769 0.321 1.00 0.00 O ATOM 842 CB ALA A 99 4.993 -2.974 0.813 1.00 0.00 C ATOM 0 H ALA A 99 5.612 -4.723 -0.915 1.00 0.00 H new ATOM 0 HA ALA A 99 5.524 -4.644 2.022 1.00 0.00 H new ATOM 0 HB1 ALA A 99 4.457 -2.472 1.619 1.00 0.00 H new ATOM 0 HB2 ALA A 99 6.015 -2.598 0.768 1.00 0.00 H new ATOM 0 HB3 ALA A 99 4.492 -2.776 -0.134 1.00 0.00 H new ATOM 848 N TYR A 100 3.354 -5.839 2.210 1.00 0.00 N ATOM 849 CA TYR A 100 2.049 -6.474 2.403 1.00 0.00 C ATOM 850 C TYR A 100 1.094 -5.602 3.221 1.00 0.00 C ATOM 851 O TYR A 100 1.206 -5.518 4.445 1.00 0.00 O ATOM 852 CB TYR A 100 2.208 -7.840 3.092 1.00 0.00 C ATOM 853 CG TYR A 100 3.156 -8.804 2.397 1.00 0.00 C ATOM 854 CD1 TYR A 100 4.515 -8.528 2.287 1.00 0.00 C ATOM 855 CD2 TYR A 100 2.691 -9.999 1.862 1.00 0.00 C ATOM 856 CE1 TYR A 100 5.375 -9.408 1.664 1.00 0.00 C ATOM 857 CE2 TYR A 100 3.550 -10.885 1.235 1.00 0.00 C ATOM 858 CZ TYR A 100 4.890 -10.583 1.140 1.00 0.00 C ATOM 859 OH TYR A 100 5.751 -11.459 0.521 1.00 0.00 O ATOM 0 H TYR A 100 4.043 -6.066 2.927 1.00 0.00 H new ATOM 0 HA TYR A 100 1.617 -6.609 1.411 1.00 0.00 H new ATOM 0 HB2 TYR A 100 2.561 -7.677 4.110 1.00 0.00 H new ATOM 0 HB3 TYR A 100 1.227 -8.309 3.166 1.00 0.00 H new ATOM 0 HD1 TYR A 100 4.904 -7.608 2.697 1.00 0.00 H new ATOM 0 HD2 TYR A 100 1.641 -10.241 1.937 1.00 0.00 H new ATOM 0 HE1 TYR A 100 6.427 -9.175 1.588 1.00 0.00 H new ATOM 0 HE2 TYR A 100 3.171 -11.808 0.822 1.00 0.00 H new ATOM 0 HH TYR A 100 6.418 -10.955 0.009 1.00 0.00 H new ATOM 869 N ARG A 101 0.127 -4.988 2.539 1.00 0.00 N ATOM 870 CA ARG A 101 -0.881 -4.164 3.204 1.00 0.00 C ATOM 871 C ARG A 101 -2.190 -4.944 3.276 1.00 0.00 C ATOM 872 O ARG A 101 -2.663 -5.461 2.263 1.00 0.00 O ATOM 873 CB ARG A 101 -1.092 -2.847 2.456 1.00 0.00 C ATOM 874 CG ARG A 101 -2.209 -1.988 3.035 1.00 0.00 C ATOM 875 CD ARG A 101 -1.693 -0.641 3.502 1.00 0.00 C ATOM 876 NE ARG A 101 -2.778 0.327 3.727 1.00 0.00 N ATOM 877 CZ ARG A 101 -2.744 1.278 4.659 1.00 0.00 C ATOM 878 NH1 ARG A 101 -1.722 1.358 5.475 1.00 0.00 N ATOM 879 NH2 ARG A 101 -3.730 2.141 4.770 1.00 0.00 N ATOM 0 H ARG A 101 0.021 -5.046 1.526 1.00 0.00 H new ATOM 0 HA ARG A 101 -0.537 -3.924 4.210 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -0.163 -2.278 2.471 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -1.316 -3.064 1.412 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -2.983 -1.840 2.282 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -2.674 -2.510 3.871 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -1.129 -0.771 4.425 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -1.002 -0.242 2.759 1.00 0.00 H new ATOM 0 HE ARG A 101 -3.606 0.266 3.134 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -0.953 0.692 5.396 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -1.695 2.086 6.189 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -4.530 2.086 4.139 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -3.695 2.866 5.487 1.00 0.00 H new ATOM 893 N GLU A 102 -2.763 -5.061 4.466 1.00 0.00 N ATOM 894 CA GLU A 102 -3.995 -5.821 4.626 1.00 0.00 C ATOM 895 C GLU A 102 -5.229 -4.933 4.679 1.00 0.00 C ATOM 896 O GLU A 102 -5.228 -3.863 5.289 1.00 0.00 O ATOM 897 CB GLU A 102 -3.920 -6.689 5.881 1.00 0.00 C ATOM 898 CG GLU A 102 -4.673 -8.007 5.759 1.00 0.00 C ATOM 899 CD GLU A 102 -4.248 -9.017 6.802 1.00 0.00 C ATOM 900 OE1 GLU A 102 -3.186 -9.658 6.617 1.00 0.00 O ATOM 901 OE2 GLU A 102 -4.957 -9.158 7.816 1.00 0.00 O ATOM 0 H GLU A 102 -2.401 -4.646 5.324 1.00 0.00 H new ATOM 0 HA GLU A 102 -4.094 -6.455 3.745 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -2.874 -6.898 6.106 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -4.322 -6.128 6.725 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -5.743 -7.820 5.854 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -4.509 -8.425 4.766 1.00 0.00 H new ATOM 908 N CYS A 103 -6.292 -5.417 4.053 1.00 0.00 N ATOM 909 CA CYS A 103 -7.570 -4.716 4.034 1.00 0.00 C ATOM 910 C CYS A 103 -8.580 -5.524 4.838 1.00 0.00 C ATOM 911 O CYS A 103 -9.117 -6.514 4.349 1.00 0.00 O ATOM 912 CB CYS A 103 -8.061 -4.498 2.595 1.00 0.00 C ATOM 913 SG CYS A 103 -9.074 -2.998 2.381 1.00 0.00 S ATOM 0 H CYS A 103 -6.295 -6.302 3.546 1.00 0.00 H new ATOM 0 HA CYS A 103 -7.450 -3.730 4.483 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -7.198 -4.440 1.932 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -8.643 -5.366 2.285 1.00 0.00 H new ATOM 918 N LEU A 104 -8.794 -5.110 6.084 1.00 0.00 N ATOM 919 CA LEU A 104 -9.708 -5.794 7.005 1.00 0.00 C ATOM 920 C LEU A 104 -11.050 -6.141 6.363 1.00 0.00 C ATOM 921 O LEU A 104 -11.616 -5.349 5.605 1.00 0.00 O ATOM 922 CB LEU A 104 -9.937 -4.926 8.243 1.00 0.00 C ATOM 923 CG LEU A 104 -9.019 -5.222 9.431 1.00 0.00 C ATOM 924 CD1 LEU A 104 -9.349 -6.573 10.043 1.00 0.00 C ATOM 925 CD2 LEU A 104 -7.559 -5.175 9.011 1.00 0.00 C ATOM 0 H LEU A 104 -8.340 -4.291 6.487 1.00 0.00 H new ATOM 0 HA LEU A 104 -9.235 -6.736 7.284 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -9.812 -3.881 7.961 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -10.971 -5.048 8.565 1.00 0.00 H new ATOM 0 HG LEU A 104 -9.185 -4.452 10.184 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -8.684 -6.763 10.886 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -10.383 -6.573 10.389 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -9.217 -7.354 9.294 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -6.926 -5.388 9.872 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -7.379 -5.919 8.235 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -7.323 -4.184 8.624 1.00 0.00 H new ATOM 937 N GLU A 105 -11.563 -7.324 6.705 1.00 0.00 N ATOM 938 CA GLU A 105 -12.857 -7.796 6.200 1.00 0.00 C ATOM 939 C GLU A 105 -13.940 -6.730 6.395 1.00 0.00 C ATOM 940 O GLU A 105 -14.904 -6.665 5.632 1.00 0.00 O ATOM 941 CB GLU A 105 -13.265 -9.095 6.910 1.00 0.00 C ATOM 942 CG GLU A 105 -13.608 -8.923 8.388 1.00 0.00 C ATOM 943 CD GLU A 105 -12.506 -8.243 9.176 1.00 0.00 C ATOM 944 OE1 GLU A 105 -11.397 -8.807 9.255 1.00 0.00 O ATOM 945 OE2 GLU A 105 -12.747 -7.134 9.696 1.00 0.00 O ATOM 0 H GLU A 105 -11.099 -7.979 7.335 1.00 0.00 H new ATOM 0 HA GLU A 105 -12.754 -7.992 5.133 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -14.127 -9.521 6.396 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -12.452 -9.815 6.819 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -14.524 -8.339 8.477 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -13.809 -9.901 8.825 1.00 0.00 H new ATOM 952 N ASN A 106 -13.761 -5.885 7.413 1.00 0.00 N ATOM 953 CA ASN A 106 -14.713 -4.811 7.699 1.00 0.00 C ATOM 954 C ASN A 106 -14.597 -3.659 6.687 1.00 0.00 C ATOM 955 O ASN A 106 -15.400 -2.723 6.719 1.00 0.00 O ATOM 956 CB ASN A 106 -14.493 -4.280 9.121 1.00 0.00 C ATOM 957 CG ASN A 106 -15.392 -4.950 10.139 1.00 0.00 C ATOM 958 OD1 ASN A 106 -16.431 -4.413 10.513 1.00 0.00 O ATOM 959 ND2 ASN A 106 -14.997 -6.126 10.596 1.00 0.00 N ATOM 0 H ASN A 106 -12.967 -5.924 8.052 1.00 0.00 H new ATOM 0 HA ASN A 106 -15.716 -5.228 7.614 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -13.452 -4.433 9.405 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -14.672 -3.205 9.135 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -15.563 -6.621 11.285 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -14.127 -6.538 10.259 1.00 0.00 H new ATOM 966 N GLY A 107 -13.595 -3.721 5.802 1.00 0.00 N ATOM 967 CA GLY A 107 -13.396 -2.673 4.810 1.00 0.00 C ATOM 968 C GLY A 107 -12.328 -1.666 5.213 1.00 0.00 C ATOM 969 O GLY A 107 -12.088 -0.694 4.496 1.00 0.00 O ATOM 0 H GLY A 107 -12.917 -4.482 5.757 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -13.118 -3.128 3.860 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -14.338 -2.150 4.649 1.00 0.00 H new ATOM 973 N THR A 108 -11.688 -1.893 6.362 1.00 0.00 N ATOM 974 CA THR A 108 -10.646 -0.996 6.859 1.00 0.00 C ATOM 975 C THR A 108 -9.279 -1.323 6.251 1.00 0.00 C ATOM 976 O THR A 108 -9.048 -2.427 5.754 1.00 0.00 O ATOM 977 CB THR A 108 -10.571 -1.067 8.389 1.00 0.00 C ATOM 978 OG1 THR A 108 -10.927 -2.360 8.846 1.00 0.00 O ATOM 979 CG2 THR A 108 -11.482 -0.073 9.076 1.00 0.00 C ATOM 0 H THR A 108 -11.875 -2.693 6.966 1.00 0.00 H new ATOM 0 HA THR A 108 -10.911 0.017 6.557 1.00 0.00 H new ATOM 0 HB THR A 108 -9.538 -0.827 8.642 1.00 0.00 H new ATOM 0 HG1 THR A 108 -10.872 -2.388 9.824 1.00 0.00 H new ATOM 0 HG21 THR A 108 -11.382 -0.174 10.157 1.00 0.00 H new ATOM 0 HG22 THR A 108 -11.206 0.939 8.779 1.00 0.00 H new ATOM 0 HG23 THR A 108 -12.515 -0.267 8.788 1.00 0.00 H new ATOM 987 N TRP A 109 -8.378 -0.343 6.296 1.00 0.00 N ATOM 988 CA TRP A 109 -7.028 -0.499 5.753 1.00 0.00 C ATOM 989 C TRP A 109 -6.010 -0.722 6.869 1.00 0.00 C ATOM 990 O TRP A 109 -5.824 0.148 7.723 1.00 0.00 O ATOM 991 CB TRP A 109 -6.639 0.753 4.969 1.00 0.00 C ATOM 992 CG TRP A 109 -6.662 0.591 3.480 1.00 0.00 C ATOM 993 CD1 TRP A 109 -7.167 1.481 2.580 1.00 0.00 C ATOM 994 CD2 TRP A 109 -6.155 -0.510 2.713 1.00 0.00 C ATOM 995 NE1 TRP A 109 -7.005 1.008 1.305 1.00 0.00 N ATOM 996 CE2 TRP A 109 -6.389 -0.213 1.356 1.00 0.00 C ATOM 997 CE3 TRP A 109 -5.527 -1.718 3.037 1.00 0.00 C ATOM 998 CZ2 TRP A 109 -6.018 -1.076 0.328 1.00 0.00 C ATOM 999 CZ3 TRP A 109 -5.160 -2.575 2.016 1.00 0.00 C ATOM 1000 CH2 TRP A 109 -5.405 -2.249 0.675 1.00 0.00 C ATOM 0 H TRP A 109 -8.560 0.573 6.706 1.00 0.00 H new ATOM 0 HA TRP A 109 -7.027 -1.369 5.096 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -7.316 1.562 5.243 1.00 0.00 H new ATOM 0 HB3 TRP A 109 -5.638 1.059 5.272 1.00 0.00 H new ATOM 0 HD1 TRP A 109 -7.628 2.423 2.835 1.00 0.00 H new ATOM 0 HE1 TRP A 109 -7.297 1.489 0.454 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -5.332 -1.976 4.067 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 -6.207 -0.828 -0.706 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -4.677 -3.511 2.256 1.00 0.00 H new ATOM 0 HH2 TRP A 109 -5.104 -2.938 -0.100 1.00 0.00 H new ATOM 1011 N ALA A 110 -5.335 -1.865 6.851 1.00 0.00 N ATOM 1012 CA ALA A 110 -4.329 -2.165 7.862 1.00 0.00 C ATOM 1013 C ALA A 110 -2.959 -1.629 7.447 1.00 0.00 C ATOM 1014 O ALA A 110 -2.441 -1.984 6.386 1.00 0.00 O ATOM 1015 CB ALA A 110 -4.261 -3.668 8.109 1.00 0.00 C ATOM 0 H ALA A 110 -5.465 -2.596 6.151 1.00 0.00 H new ATOM 0 HA ALA A 110 -4.618 -1.670 8.789 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -3.506 -3.878 8.866 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -5.231 -4.024 8.455 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -3.997 -4.177 7.182 1.00 0.00 H new ATOM 1021 N SER A 111 -2.359 -0.792 8.296 1.00 0.00 N ATOM 1022 CA SER A 111 -1.035 -0.232 8.005 1.00 0.00 C ATOM 1023 C SER A 111 0.068 -1.179 8.479 1.00 0.00 C ATOM 1024 O SER A 111 1.107 -0.753 8.987 1.00 0.00 O ATOM 1025 CB SER A 111 -0.869 1.160 8.631 1.00 0.00 C ATOM 1026 OG SER A 111 -0.719 2.157 7.624 1.00 0.00 O ATOM 0 H SER A 111 -2.763 -0.489 9.182 1.00 0.00 H new ATOM 0 HA SER A 111 -0.949 -0.121 6.924 1.00 0.00 H new ATOM 0 HB2 SER A 111 -1.736 1.390 9.250 1.00 0.00 H new ATOM 0 HB3 SER A 111 0.001 1.166 9.287 1.00 0.00 H new ATOM 0 HG SER A 111 0.221 2.207 7.351 1.00 0.00 H new ATOM 1032 N ARG A 112 -0.168 -2.476 8.285 1.00 0.00 N ATOM 1033 CA ARG A 112 0.788 -3.511 8.661 1.00 0.00 C ATOM 1034 C ARG A 112 1.722 -3.836 7.489 1.00 0.00 C ATOM 1035 O ARG A 112 2.221 -4.958 7.380 1.00 0.00 O ATOM 1036 CB ARG A 112 0.032 -4.774 9.104 1.00 0.00 C ATOM 1037 CG ARG A 112 0.891 -5.786 9.849 1.00 0.00 C ATOM 1038 CD ARG A 112 0.207 -7.143 9.928 1.00 0.00 C ATOM 1039 NE ARG A 112 0.574 -8.006 8.798 1.00 0.00 N ATOM 1040 CZ ARG A 112 -0.286 -8.712 8.069 1.00 0.00 C ATOM 1041 NH1 ARG A 112 -1.570 -8.715 8.352 1.00 0.00 N ATOM 1042 NH2 ARG A 112 0.148 -9.433 7.058 1.00 0.00 N ATOM 0 H ARG A 112 -1.025 -2.836 7.864 1.00 0.00 H new ATOM 0 HA ARG A 112 1.395 -3.146 9.489 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -0.800 -4.480 9.743 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -0.396 -5.255 8.224 1.00 0.00 H new ATOM 0 HG2 ARG A 112 1.852 -5.890 9.346 1.00 0.00 H new ATOM 0 HG3 ARG A 112 1.096 -5.421 10.855 1.00 0.00 H new ATOM 0 HD2 ARG A 112 0.479 -7.633 10.863 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -0.874 -7.005 9.943 1.00 0.00 H new ATOM 0 HE ARG A 112 1.562 -8.069 8.554 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -1.920 -8.171 9.140 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -2.216 -9.262 7.783 1.00 0.00 H new ATOM 0 HH21 ARG A 112 1.143 -9.450 6.834 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -0.510 -9.975 6.498 1.00 0.00 H new ATOM 1056 N VAL A 113 1.958 -2.852 6.611 1.00 0.00 N ATOM 1057 CA VAL A 113 2.831 -3.050 5.457 1.00 0.00 C ATOM 1058 C VAL A 113 4.142 -3.715 5.866 1.00 0.00 C ATOM 1059 O VAL A 113 4.988 -3.111 6.533 1.00 0.00 O ATOM 1060 CB VAL A 113 3.127 -1.734 4.714 1.00 0.00 C ATOM 1061 CG1 VAL A 113 3.523 -0.626 5.680 1.00 0.00 C ATOM 1062 CG2 VAL A 113 4.205 -1.943 3.663 1.00 0.00 C ATOM 0 H VAL A 113 1.557 -1.917 6.681 1.00 0.00 H new ATOM 0 HA VAL A 113 2.293 -3.707 4.774 1.00 0.00 H new ATOM 0 HB VAL A 113 2.211 -1.422 4.212 1.00 0.00 H new ATOM 0 HG11 VAL A 113 3.725 0.288 5.122 1.00 0.00 H new ATOM 0 HG12 VAL A 113 2.710 -0.449 6.384 1.00 0.00 H new ATOM 0 HG13 VAL A 113 4.418 -0.923 6.227 1.00 0.00 H new ATOM 0 HG21 VAL A 113 4.400 -1.002 3.149 1.00 0.00 H new ATOM 0 HG22 VAL A 113 5.120 -2.290 4.144 1.00 0.00 H new ATOM 0 HG23 VAL A 113 3.870 -2.688 2.941 1.00 0.00 H new ATOM 1072 N ASN A 114 4.292 -4.968 5.468 1.00 0.00 N ATOM 1073 CA ASN A 114 5.488 -5.747 5.792 1.00 0.00 C ATOM 1074 C ASN A 114 6.733 -5.221 5.061 1.00 0.00 C ATOM 1075 O ASN A 114 7.365 -5.946 4.292 1.00 0.00 O ATOM 1076 CB ASN A 114 5.256 -7.224 5.455 1.00 0.00 C ATOM 1077 CG ASN A 114 6.223 -8.144 6.171 1.00 0.00 C ATOM 1078 OD1 ASN A 114 5.904 -8.703 7.214 1.00 0.00 O ATOM 1079 ND2 ASN A 114 7.416 -8.299 5.616 1.00 0.00 N ATOM 0 H ASN A 114 3.599 -5.474 4.917 1.00 0.00 H new ATOM 0 HA ASN A 114 5.673 -5.643 6.861 1.00 0.00 H new ATOM 0 HB2 ASN A 114 4.235 -7.498 5.722 1.00 0.00 H new ATOM 0 HB3 ASN A 114 5.354 -7.367 4.379 1.00 0.00 H new ATOM 0 HD21 ASN A 114 8.110 -8.902 6.058 1.00 0.00 H new ATOM 0 HD22 ASN A 114 7.641 -7.815 4.747 1.00 0.00 H new ATOM 1086 N TYR A 115 7.083 -3.961 5.312 1.00 0.00 N ATOM 1087 CA TYR A 115 8.257 -3.352 4.686 1.00 0.00 C ATOM 1088 C TYR A 115 9.395 -3.169 5.697 1.00 0.00 C ATOM 1089 O TYR A 115 10.565 -3.265 5.340 1.00 0.00 O ATOM 1090 CB TYR A 115 7.883 -2.018 4.022 1.00 0.00 C ATOM 1091 CG TYR A 115 7.989 -0.810 4.925 1.00 0.00 C ATOM 1092 CD1 TYR A 115 6.913 -0.400 5.699 1.00 0.00 C ATOM 1093 CD2 TYR A 115 9.165 -0.076 4.996 1.00 0.00 C ATOM 1094 CE1 TYR A 115 7.005 0.708 6.518 1.00 0.00 C ATOM 1095 CE2 TYR A 115 9.264 1.034 5.812 1.00 0.00 C ATOM 1096 CZ TYR A 115 8.180 1.421 6.569 1.00 0.00 C ATOM 1097 OH TYR A 115 8.273 2.527 7.378 1.00 0.00 O ATOM 0 H TYR A 115 6.573 -3.343 5.942 1.00 0.00 H new ATOM 0 HA TYR A 115 8.616 -4.029 3.911 1.00 0.00 H new ATOM 0 HB2 TYR A 115 8.528 -1.865 3.157 1.00 0.00 H new ATOM 0 HB3 TYR A 115 6.861 -2.087 3.649 1.00 0.00 H new ATOM 0 HD1 TYR A 115 5.988 -0.957 5.660 1.00 0.00 H new ATOM 0 HD2 TYR A 115 10.016 -0.378 4.404 1.00 0.00 H new ATOM 0 HE1 TYR A 115 6.159 1.013 7.115 1.00 0.00 H new ATOM 0 HE2 TYR A 115 10.186 1.595 5.856 1.00 0.00 H new ATOM 0 HH TYR A 115 9.169 2.916 7.299 1.00 0.00 H new ATOM 1107 N SER A 116 9.047 -2.930 6.965 1.00 0.00 N ATOM 1108 CA SER A 116 10.053 -2.760 8.020 1.00 0.00 C ATOM 1109 C SER A 116 10.962 -3.994 8.126 1.00 0.00 C ATOM 1110 O SER A 116 12.087 -3.901 8.617 1.00 0.00 O ATOM 1111 CB SER A 116 9.375 -2.502 9.369 1.00 0.00 C ATOM 1112 OG SER A 116 10.313 -2.054 10.336 1.00 0.00 O ATOM 0 H SER A 116 8.082 -2.850 7.286 1.00 0.00 H new ATOM 0 HA SER A 116 10.668 -1.900 7.755 1.00 0.00 H new ATOM 0 HB2 SER A 116 8.589 -1.756 9.248 1.00 0.00 H new ATOM 0 HB3 SER A 116 8.896 -3.416 9.719 1.00 0.00 H new ATOM 0 HG SER A 116 9.855 -1.895 11.187 1.00 0.00 H new ATOM 1118 N HIS A 117 10.465 -5.146 7.668 1.00 0.00 N ATOM 1119 CA HIS A 117 11.231 -6.393 7.712 1.00 0.00 C ATOM 1120 C HIS A 117 12.130 -6.535 6.487 1.00 0.00 C ATOM 1121 O HIS A 117 13.268 -6.990 6.593 1.00 0.00 O ATOM 1122 CB HIS A 117 10.285 -7.591 7.782 1.00 0.00 C ATOM 1123 CG HIS A 117 9.558 -7.704 9.083 1.00 0.00 C ATOM 1124 ND1 HIS A 117 10.173 -7.556 10.306 1.00 0.00 N ATOM 1125 CD2 HIS A 117 8.252 -7.943 9.346 1.00 0.00 C ATOM 1126 CE1 HIS A 117 9.279 -7.698 11.268 1.00 0.00 C ATOM 1127 NE2 HIS A 117 8.104 -7.933 10.712 1.00 0.00 N ATOM 0 H HIS A 117 9.534 -5.240 7.262 1.00 0.00 H new ATOM 0 HA HIS A 117 11.858 -6.364 8.603 1.00 0.00 H new ATOM 0 HB2 HIS A 117 9.557 -7.516 6.974 1.00 0.00 H new ATOM 0 HB3 HIS A 117 10.856 -8.504 7.614 1.00 0.00 H new ATOM 0 HD2 HIS A 117 7.472 -8.110 8.618 1.00 0.00 H new ATOM 0 HE1 HIS A 117 9.475 -7.633 12.328 1.00 0.00 H new ATOM 0 HE2 HIS A 117 7.229 -8.083 11.215 1.00 0.00 H new ATOM 1136 N CYS A 118 11.608 -6.158 5.325 1.00 0.00 N ATOM 1137 CA CYS A 118 12.356 -6.256 4.081 1.00 0.00 C ATOM 1138 C CYS A 118 13.512 -5.260 4.049 1.00 0.00 C ATOM 1139 O CYS A 118 13.305 -4.051 4.168 1.00 0.00 O ATOM 1140 CB CYS A 118 11.427 -6.039 2.875 1.00 0.00 C ATOM 1141 SG CYS A 118 10.844 -4.327 2.648 1.00 0.00 S ATOM 0 H CYS A 118 10.666 -5.781 5.221 1.00 0.00 H new ATOM 0 HA CYS A 118 12.777 -7.260 4.023 1.00 0.00 H new ATOM 0 HB2 CYS A 118 11.951 -6.351 1.971 1.00 0.00 H new ATOM 0 HB3 CYS A 118 10.560 -6.691 2.982 1.00 0.00 H new ATOM 1146 N GLU A 119 14.729 -5.776 3.878 1.00 0.00 N ATOM 1147 CA GLU A 119 15.920 -4.933 3.811 1.00 0.00 C ATOM 1148 C GLU A 119 15.674 -3.800 2.816 1.00 0.00 C ATOM 1149 O GLU A 119 15.056 -4.023 1.772 1.00 0.00 O ATOM 1150 CB GLU A 119 17.144 -5.760 3.383 1.00 0.00 C ATOM 1151 CG GLU A 119 17.399 -6.989 4.254 1.00 0.00 C ATOM 1152 CD GLU A 119 16.729 -8.243 3.723 1.00 0.00 C ATOM 1153 OE1 GLU A 119 15.479 -8.287 3.700 1.00 0.00 O ATOM 1154 OE2 GLU A 119 17.444 -9.182 3.316 1.00 0.00 O ATOM 0 H GLU A 119 14.915 -6.774 3.783 1.00 0.00 H new ATOM 0 HA GLU A 119 16.122 -4.516 4.798 1.00 0.00 H new ATOM 0 HB2 GLU A 119 17.010 -6.081 2.350 1.00 0.00 H new ATOM 0 HB3 GLU A 119 18.027 -5.122 3.406 1.00 0.00 H new ATOM 0 HG2 GLU A 119 18.473 -7.160 4.325 1.00 0.00 H new ATOM 0 HG3 GLU A 119 17.040 -6.792 5.264 1.00 0.00 H new ATOM 1161 N PRO A 120 16.126 -2.563 3.120 1.00 0.00 N ATOM 1162 CA PRO A 120 15.917 -1.415 2.241 1.00 0.00 C ATOM 1163 C PRO A 120 16.086 -1.767 0.768 1.00 0.00 C ATOM 1164 O PRO A 120 17.123 -2.299 0.364 1.00 0.00 O ATOM 1165 CB PRO A 120 16.972 -0.404 2.683 1.00 0.00 C ATOM 1166 CG PRO A 120 17.708 -1.035 3.832 1.00 0.00 C ATOM 1167 CD PRO A 120 16.856 -2.175 4.327 1.00 0.00 C ATOM 0 HA PRO A 120 14.899 -1.033 2.322 1.00 0.00 H new ATOM 0 HB2 PRO A 120 17.654 -0.172 1.865 1.00 0.00 H new ATOM 0 HB3 PRO A 120 16.508 0.534 2.987 1.00 0.00 H new ATOM 0 HG2 PRO A 120 18.686 -1.395 3.513 1.00 0.00 H new ATOM 0 HG3 PRO A 120 17.879 -0.308 4.626 1.00 0.00 H new ATOM 0 HD2 PRO A 120 17.459 -2.994 4.719 1.00 0.00 H new ATOM 0 HD3 PRO A 120 16.184 -1.864 5.127 1.00 0.00 H new ATOM 1175 N ILE A 121 15.036 -1.459 0.003 1.00 0.00 N ATOM 1176 CA ILE A 121 14.939 -1.712 -1.445 1.00 0.00 C ATOM 1177 C ILE A 121 13.674 -2.532 -1.778 1.00 0.00 C ATOM 1178 O ILE A 121 13.367 -2.686 -2.980 1.00 0.00 O ATOM 1179 CB ILE A 121 16.170 -2.441 -2.021 1.00 0.00 C ATOM 1180 CG1 ILE A 121 16.221 -2.264 -3.538 1.00 0.00 C ATOM 1181 CG2 ILE A 121 16.134 -3.916 -1.652 1.00 0.00 C ATOM 1182 CD1 ILE A 121 17.269 -1.279 -3.996 1.00 0.00 C ATOM 0 H ILE A 121 14.201 -1.012 0.382 1.00 0.00 H new ATOM 0 HA ILE A 121 14.886 -0.728 -1.911 1.00 0.00 H new ATOM 0 HB ILE A 121 17.071 -2.005 -1.590 1.00 0.00 H new ATOM 0 HG12 ILE A 121 16.416 -3.231 -4.002 1.00 0.00 H new ATOM 0 HG13 ILE A 121 15.244 -1.932 -3.890 1.00 0.00 H new ATOM 0 HG21 ILE A 121 17.010 -4.416 -2.066 1.00 0.00 H new ATOM 0 HG22 ILE A 121 16.136 -4.020 -0.567 1.00 0.00 H new ATOM 0 HG23 ILE A 121 15.231 -4.371 -2.058 1.00 0.00 H new ATOM 0 HD11 ILE A 121 17.248 -1.204 -5.083 1.00 0.00 H new ATOM 0 HD12 ILE A 121 17.064 -0.301 -3.561 1.00 0.00 H new ATOM 0 HD13 ILE A 121 18.253 -1.620 -3.675 1.00 0.00 H new TER 1194 ILE A 121