USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 582 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 ASN : amide:sc= -1.75 X(o=-1.7,f=-2.2!) USER MOD Single : A 1 ASN N :NH3+ 162:sc= -0.0141 (180deg=-0.613) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 12:sc= -1.58! USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 87:sc= 0.981 USER MOD Single : A 34 ASN : amide:sc= -3.21! C(o=-3.2!,f=-5.1!) USER MOD Single : A 39 SER OG : rot 180:sc= 0.0939 USER MOD Single : A 40 SER OG : rot 39:sc= 1.24 USER MOD Single : A 42 ASN : amide:sc= -3.73 X(o=-3.7,f=-3.4!) USER MOD Single : A 43 HIS : no HD1:sc= -17.6! C(o=-18!,f=-16!) USER MOD Single : A 44 SER OG : rot 18:sc= 0.395! USER MOD Single : A 48 ASN : amide:sc= -0.0121 X(o=-0.012,f=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -149:sc=-0.00807 (180deg=-0.785) USER MOD Single : A 59 HIS : no HD1:sc= -0.3 X(o=-0.3,f=-0.12) USER MOD Single : A 61 TYR OH : rot -30:sc= -0.0312 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.082 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -70:sc= 1.2 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 20.576 6.981 -5.428 1.00 0.00 N ATOM 2 CA ASN A 1 19.475 7.118 -4.431 1.00 0.00 C ATOM 3 C ASN A 1 18.177 6.526 -4.992 1.00 0.00 C ATOM 4 O ASN A 1 17.699 6.951 -6.025 1.00 0.00 O ATOM 5 CB ASN A 1 19.326 8.623 -4.212 1.00 0.00 C ATOM 6 CG ASN A 1 18.756 9.271 -5.475 1.00 0.00 C ATOM 7 OD1 ASN A 1 17.557 9.404 -5.614 1.00 0.00 O ATOM 8 ND2 ASN A 1 19.572 9.682 -6.407 1.00 0.00 N ATOM 0 H1 ASN A 1 21.348 7.634 -5.185 1.00 0.00 H new ATOM 0 H2 ASN A 1 20.933 6.004 -5.419 1.00 0.00 H new ATOM 0 H3 ASN A 1 20.216 7.209 -6.377 1.00 0.00 H new ATOM 0 HA ASN A 1 19.690 6.590 -3.502 1.00 0.00 H new ATOM 0 HB2 ASN A 1 18.668 8.814 -3.364 1.00 0.00 H new ATOM 0 HB3 ASN A 1 20.293 9.063 -3.970 1.00 0.00 H new ATOM 0 HD21 ASN A 1 19.203 10.115 -7.253 1.00 0.00 H new ATOM 0 HD22 ASN A 1 20.579 9.570 -6.289 1.00 0.00 H new ATOM 17 N PRO A 2 17.649 5.561 -4.287 1.00 0.00 N ATOM 18 CA PRO A 2 16.391 4.902 -4.719 1.00 0.00 C ATOM 19 C PRO A 2 15.197 5.838 -4.512 1.00 0.00 C ATOM 20 O PRO A 2 15.350 7.038 -4.393 1.00 0.00 O ATOM 21 CB PRO A 2 16.293 3.683 -3.805 1.00 0.00 C ATOM 22 CG PRO A 2 17.085 4.046 -2.589 1.00 0.00 C ATOM 23 CD PRO A 2 18.166 4.997 -3.035 1.00 0.00 C ATOM 0 HA PRO A 2 16.387 4.637 -5.776 1.00 0.00 H new ATOM 0 HB2 PRO A 2 15.256 3.463 -3.550 1.00 0.00 H new ATOM 0 HB3 PRO A 2 16.697 2.794 -4.288 1.00 0.00 H new ATOM 0 HG2 PRO A 2 16.447 4.512 -1.838 1.00 0.00 H new ATOM 0 HG3 PRO A 2 17.518 3.157 -2.131 1.00 0.00 H new ATOM 0 HD2 PRO A 2 18.346 5.774 -2.292 1.00 0.00 H new ATOM 0 HD3 PRO A 2 19.113 4.480 -3.191 1.00 0.00 H new ATOM 31 N LEU A 3 14.011 5.299 -4.469 1.00 0.00 N ATOM 32 CA LEU A 3 12.808 6.159 -4.273 1.00 0.00 C ATOM 33 C LEU A 3 11.630 5.326 -3.757 1.00 0.00 C ATOM 34 O LEU A 3 10.503 5.491 -4.180 1.00 0.00 O ATOM 35 CB LEU A 3 12.506 6.754 -5.654 1.00 0.00 C ATOM 36 CG LEU A 3 11.795 5.723 -6.539 1.00 0.00 C ATOM 37 CD1 LEU A 3 11.829 6.195 -7.994 1.00 0.00 C ATOM 38 CD2 LEU A 3 12.502 4.372 -6.431 1.00 0.00 C ATOM 0 H LEU A 3 13.821 4.301 -4.561 1.00 0.00 H new ATOM 0 HA LEU A 3 12.978 6.940 -3.532 1.00 0.00 H new ATOM 0 HB2 LEU A 3 11.882 7.641 -5.546 1.00 0.00 H new ATOM 0 HB3 LEU A 3 13.433 7.073 -6.130 1.00 0.00 H new ATOM 0 HG LEU A 3 10.762 5.617 -6.209 1.00 0.00 H new ATOM 0 HD11 LEU A 3 11.324 5.464 -8.626 1.00 0.00 H new ATOM 0 HD12 LEU A 3 11.323 7.157 -8.076 1.00 0.00 H new ATOM 0 HD13 LEU A 3 12.864 6.301 -8.318 1.00 0.00 H new ATOM 0 HD21 LEU A 3 11.993 3.643 -7.062 1.00 0.00 H new ATOM 0 HD22 LEU A 3 13.536 4.475 -6.759 1.00 0.00 H new ATOM 0 HD23 LEU A 3 12.482 4.032 -5.395 1.00 0.00 H new ATOM 50 N ILE A 4 11.885 4.437 -2.840 1.00 0.00 N ATOM 51 CA ILE A 4 10.784 3.594 -2.290 1.00 0.00 C ATOM 52 C ILE A 4 9.621 4.474 -1.828 1.00 0.00 C ATOM 53 O ILE A 4 9.823 5.563 -1.330 1.00 0.00 O ATOM 54 CB ILE A 4 11.408 2.855 -1.097 1.00 0.00 C ATOM 55 CG1 ILE A 4 12.037 1.547 -1.583 1.00 0.00 C ATOM 56 CG2 ILE A 4 10.333 2.541 -0.045 1.00 0.00 C ATOM 57 CD1 ILE A 4 10.969 0.688 -2.263 1.00 0.00 C ATOM 0 H ILE A 4 12.808 4.256 -2.446 1.00 0.00 H new ATOM 0 HA ILE A 4 10.382 2.905 -3.033 1.00 0.00 H new ATOM 0 HB ILE A 4 12.171 3.490 -0.647 1.00 0.00 H new ATOM 0 HG12 ILE A 4 12.847 1.758 -2.281 1.00 0.00 H new ATOM 0 HG13 ILE A 4 12.473 1.006 -0.743 1.00 0.00 H new ATOM 0 HG21 ILE A 4 10.788 2.017 0.795 1.00 0.00 H new ATOM 0 HG22 ILE A 4 9.885 3.471 0.306 1.00 0.00 H new ATOM 0 HG23 ILE A 4 9.562 1.912 -0.490 1.00 0.00 H new ATOM 0 HD11 ILE A 4 11.417 -0.243 -2.609 1.00 0.00 H new ATOM 0 HD12 ILE A 4 10.174 0.466 -1.552 1.00 0.00 H new ATOM 0 HD13 ILE A 4 10.554 1.229 -3.114 1.00 0.00 H new ATOM 69 N PRO A 5 8.436 3.953 -1.990 1.00 0.00 N ATOM 70 CA PRO A 5 7.227 4.683 -1.560 1.00 0.00 C ATOM 71 C PRO A 5 7.071 4.590 -0.042 1.00 0.00 C ATOM 72 O PRO A 5 7.683 3.767 0.609 1.00 0.00 O ATOM 73 CB PRO A 5 6.092 3.950 -2.262 1.00 0.00 C ATOM 74 CG PRO A 5 6.611 2.567 -2.513 1.00 0.00 C ATOM 75 CD PRO A 5 8.117 2.652 -2.588 1.00 0.00 C ATOM 0 HA PRO A 5 7.256 5.744 -1.806 1.00 0.00 H new ATOM 0 HB2 PRO A 5 5.196 3.927 -1.642 1.00 0.00 H new ATOM 0 HB3 PRO A 5 5.822 4.444 -3.195 1.00 0.00 H new ATOM 0 HG2 PRO A 5 6.305 1.892 -1.714 1.00 0.00 H new ATOM 0 HG3 PRO A 5 6.203 2.167 -3.441 1.00 0.00 H new ATOM 0 HD2 PRO A 5 8.589 1.836 -2.041 1.00 0.00 H new ATOM 0 HD3 PRO A 5 8.468 2.591 -3.618 1.00 0.00 H new ATOM 83 N ALA A 6 6.258 5.431 0.520 1.00 0.00 N ATOM 84 CA ALA A 6 6.051 5.407 1.992 1.00 0.00 C ATOM 85 C ALA A 6 5.015 4.343 2.369 1.00 0.00 C ATOM 86 O ALA A 6 5.025 3.814 3.462 1.00 0.00 O ATOM 87 CB ALA A 6 5.539 6.804 2.343 1.00 0.00 C ATOM 0 H ALA A 6 5.722 6.141 0.021 1.00 0.00 H new ATOM 0 HA ALA A 6 6.965 5.160 2.532 1.00 0.00 H new ATOM 0 HB1 ALA A 6 5.361 6.867 3.417 1.00 0.00 H new ATOM 0 HB2 ALA A 6 6.282 7.547 2.054 1.00 0.00 H new ATOM 0 HB3 ALA A 6 4.608 6.995 1.809 1.00 0.00 H new ATOM 93 N ILE A 7 4.114 4.033 1.475 1.00 0.00 N ATOM 94 CA ILE A 7 3.075 3.009 1.794 1.00 0.00 C ATOM 95 C ILE A 7 3.731 1.689 2.217 1.00 0.00 C ATOM 96 O ILE A 7 3.257 1.006 3.103 1.00 0.00 O ATOM 97 CB ILE A 7 2.251 2.828 0.505 1.00 0.00 C ATOM 98 CG1 ILE A 7 1.530 1.478 0.538 1.00 0.00 C ATOM 99 CG2 ILE A 7 3.159 2.868 -0.725 1.00 0.00 C ATOM 100 CD1 ILE A 7 0.752 1.341 1.845 1.00 0.00 C ATOM 0 H ILE A 7 4.052 4.442 0.542 1.00 0.00 H new ATOM 0 HA ILE A 7 2.443 3.323 2.625 1.00 0.00 H new ATOM 0 HB ILE A 7 1.527 3.641 0.446 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.851 1.397 -0.311 1.00 0.00 H new ATOM 0 HG13 ILE A 7 2.252 0.667 0.447 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.558 2.738 -1.625 1.00 0.00 H new ATOM 0 HG22 ILE A 7 3.673 3.828 -0.767 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.894 2.066 -0.661 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.240 0.379 1.865 1.00 0.00 H new ATOM 0 HD12 ILE A 7 1.441 1.403 2.687 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.018 2.144 1.918 1.00 0.00 H new ATOM 112 N TYR A 8 4.813 1.325 1.595 1.00 0.00 N ATOM 113 CA TYR A 8 5.485 0.048 1.968 1.00 0.00 C ATOM 114 C TYR A 8 6.016 0.127 3.400 1.00 0.00 C ATOM 115 O TYR A 8 6.129 -0.869 4.085 1.00 0.00 O ATOM 116 CB TYR A 8 6.621 -0.106 0.957 1.00 0.00 C ATOM 117 CG TYR A 8 6.047 -0.428 -0.410 1.00 0.00 C ATOM 118 CD1 TYR A 8 4.657 -0.458 -0.607 1.00 0.00 C ATOM 119 CD2 TYR A 8 6.906 -0.696 -1.482 1.00 0.00 C ATOM 120 CE1 TYR A 8 4.132 -0.755 -1.868 1.00 0.00 C ATOM 121 CE2 TYR A 8 6.379 -0.995 -2.744 1.00 0.00 C ATOM 122 CZ TYR A 8 4.993 -1.024 -2.937 1.00 0.00 C ATOM 123 OH TYR A 8 4.476 -1.317 -4.183 1.00 0.00 O ATOM 0 H TYR A 8 5.262 1.852 0.846 1.00 0.00 H new ATOM 0 HA TYR A 8 4.809 -0.806 1.942 1.00 0.00 H new ATOM 0 HB2 TYR A 8 7.206 0.813 0.910 1.00 0.00 H new ATOM 0 HB3 TYR A 8 7.298 -0.899 1.274 1.00 0.00 H new ATOM 0 HD1 TYR A 8 3.992 -0.251 0.218 1.00 0.00 H new ATOM 0 HD2 TYR A 8 7.976 -0.672 -1.336 1.00 0.00 H new ATOM 0 HE1 TYR A 8 3.063 -0.777 -2.017 1.00 0.00 H new ATOM 0 HE2 TYR A 8 7.043 -1.204 -3.570 1.00 0.00 H new ATOM 0 HH TYR A 8 5.210 -1.477 -4.812 1.00 0.00 H new ATOM 133 N ILE A 9 6.324 1.305 3.865 1.00 0.00 N ATOM 134 CA ILE A 9 6.826 1.438 5.260 1.00 0.00 C ATOM 135 C ILE A 9 5.685 1.155 6.235 1.00 0.00 C ATOM 136 O ILE A 9 4.604 1.699 6.115 1.00 0.00 O ATOM 137 CB ILE A 9 7.296 2.888 5.381 1.00 0.00 C ATOM 138 CG1 ILE A 9 8.348 3.173 4.306 1.00 0.00 C ATOM 139 CG2 ILE A 9 7.907 3.116 6.764 1.00 0.00 C ATOM 140 CD1 ILE A 9 8.863 4.605 4.463 1.00 0.00 C ATOM 0 H ILE A 9 6.250 2.178 3.342 1.00 0.00 H new ATOM 0 HA ILE A 9 7.631 0.740 5.488 1.00 0.00 H new ATOM 0 HB ILE A 9 6.446 3.557 5.247 1.00 0.00 H new ATOM 0 HG12 ILE A 9 9.174 2.467 4.394 1.00 0.00 H new ATOM 0 HG13 ILE A 9 7.916 3.037 3.314 1.00 0.00 H new ATOM 0 HG21 ILE A 9 8.241 4.150 6.848 1.00 0.00 H new ATOM 0 HG22 ILE A 9 7.159 2.913 7.530 1.00 0.00 H new ATOM 0 HG23 ILE A 9 8.757 2.448 6.901 1.00 0.00 H new ATOM 0 HD11 ILE A 9 9.612 4.808 3.698 1.00 0.00 H new ATOM 0 HD12 ILE A 9 8.034 5.304 4.354 1.00 0.00 H new ATOM 0 HD13 ILE A 9 9.311 4.725 5.450 1.00 0.00 H new ATOM 152 N GLY A 10 5.904 0.292 7.185 1.00 0.00 N ATOM 153 CA GLY A 10 4.817 -0.038 8.146 1.00 0.00 C ATOM 154 C GLY A 10 3.674 -0.682 7.368 1.00 0.00 C ATOM 155 O GLY A 10 2.515 -0.531 7.699 1.00 0.00 O ATOM 0 H GLY A 10 6.785 -0.198 7.338 1.00 0.00 H new ATOM 0 HA2 GLY A 10 5.183 -0.717 8.916 1.00 0.00 H new ATOM 0 HA3 GLY A 10 4.472 0.863 8.654 1.00 0.00 H new ATOM 159 N ALA A 11 3.998 -1.395 6.322 1.00 0.00 N ATOM 160 CA ALA A 11 2.932 -2.046 5.502 1.00 0.00 C ATOM 161 C ALA A 11 3.163 -3.557 5.422 1.00 0.00 C ATOM 162 O ALA A 11 3.890 -4.127 6.211 1.00 0.00 O ATOM 163 CB ALA A 11 3.059 -1.412 4.117 1.00 0.00 C ATOM 0 H ALA A 11 4.952 -1.555 6.000 1.00 0.00 H new ATOM 0 HA ALA A 11 1.940 -1.903 5.931 1.00 0.00 H new ATOM 0 HB1 ALA A 11 2.308 -1.838 3.452 1.00 0.00 H new ATOM 0 HB2 ALA A 11 2.907 -0.335 4.194 1.00 0.00 H new ATOM 0 HB3 ALA A 11 4.053 -1.610 3.716 1.00 0.00 H new ATOM 169 N THR A 12 2.547 -4.211 4.472 1.00 0.00 N ATOM 170 CA THR A 12 2.733 -5.688 4.343 1.00 0.00 C ATOM 171 C THR A 12 2.514 -6.115 2.895 1.00 0.00 C ATOM 172 O THR A 12 1.399 -6.238 2.448 1.00 0.00 O ATOM 173 CB THR A 12 1.657 -6.309 5.238 1.00 0.00 C ATOM 174 OG1 THR A 12 2.019 -6.143 6.602 1.00 0.00 O ATOM 175 CG2 THR A 12 1.526 -7.799 4.915 1.00 0.00 C ATOM 0 H THR A 12 1.925 -3.789 3.782 1.00 0.00 H new ATOM 0 HA THR A 12 3.737 -6.001 4.631 1.00 0.00 H new ATOM 0 HB THR A 12 0.702 -5.815 5.058 1.00 0.00 H new ATOM 0 HG1 THR A 12 2.768 -5.514 6.668 1.00 0.00 H new ATOM 0 HG21 THR A 12 0.760 -8.243 5.551 1.00 0.00 H new ATOM 0 HG22 THR A 12 1.245 -7.921 3.869 1.00 0.00 H new ATOM 0 HG23 THR A 12 2.480 -8.295 5.094 1.00 0.00 H new ATOM 183 N VAL A 13 3.561 -6.340 2.154 1.00 0.00 N ATOM 184 CA VAL A 13 3.379 -6.753 0.732 1.00 0.00 C ATOM 185 C VAL A 13 3.546 -8.268 0.594 1.00 0.00 C ATOM 186 O VAL A 13 4.171 -8.911 1.412 1.00 0.00 O ATOM 187 CB VAL A 13 4.478 -6.018 -0.040 1.00 0.00 C ATOM 188 CG1 VAL A 13 4.543 -4.560 0.418 1.00 0.00 C ATOM 189 CG2 VAL A 13 5.828 -6.690 0.223 1.00 0.00 C ATOM 0 H VAL A 13 4.529 -6.257 2.466 1.00 0.00 H new ATOM 0 HA VAL A 13 2.385 -6.509 0.356 1.00 0.00 H new ATOM 0 HB VAL A 13 4.252 -6.055 -1.106 1.00 0.00 H new ATOM 0 HG11 VAL A 13 5.326 -4.040 -0.134 1.00 0.00 H new ATOM 0 HG12 VAL A 13 3.584 -4.076 0.230 1.00 0.00 H new ATOM 0 HG13 VAL A 13 4.765 -4.523 1.485 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.609 -6.165 -0.327 1.00 0.00 H new ATOM 0 HG22 VAL A 13 6.050 -6.655 1.290 1.00 0.00 H new ATOM 0 HG23 VAL A 13 5.788 -7.728 -0.106 1.00 0.00 H new ATOM 199 N GLY A 14 2.994 -8.843 -0.440 1.00 0.00 N ATOM 200 CA GLY A 14 3.124 -10.315 -0.631 1.00 0.00 C ATOM 201 C GLY A 14 4.560 -10.648 -1.041 1.00 0.00 C ATOM 202 O GLY A 14 5.459 -9.851 -0.857 1.00 0.00 O ATOM 0 H GLY A 14 2.459 -8.357 -1.160 1.00 0.00 H new ATOM 0 HA2 GLY A 14 2.867 -10.837 0.291 1.00 0.00 H new ATOM 0 HA3 GLY A 14 2.427 -10.657 -1.396 1.00 0.00 H new ATOM 206 N PRO A 15 4.725 -11.821 -1.588 1.00 0.00 N ATOM 207 CA PRO A 15 6.066 -12.271 -2.031 1.00 0.00 C ATOM 208 C PRO A 15 6.472 -11.552 -3.322 1.00 0.00 C ATOM 209 O PRO A 15 7.610 -11.160 -3.494 1.00 0.00 O ATOM 210 CB PRO A 15 5.876 -13.764 -2.281 1.00 0.00 C ATOM 211 CG PRO A 15 4.416 -13.928 -2.569 1.00 0.00 C ATOM 212 CD PRO A 15 3.689 -12.828 -1.838 1.00 0.00 C ATOM 0 HA PRO A 15 6.851 -12.060 -1.305 1.00 0.00 H new ATOM 0 HB2 PRO A 15 6.484 -14.104 -3.119 1.00 0.00 H new ATOM 0 HB3 PRO A 15 6.175 -14.350 -1.412 1.00 0.00 H new ATOM 0 HG2 PRO A 15 4.227 -13.868 -3.641 1.00 0.00 H new ATOM 0 HG3 PRO A 15 4.066 -14.906 -2.238 1.00 0.00 H new ATOM 0 HD2 PRO A 15 2.874 -12.422 -2.437 1.00 0.00 H new ATOM 0 HD3 PRO A 15 3.251 -13.189 -0.908 1.00 0.00 H new ATOM 220 N SER A 16 5.552 -11.379 -4.230 1.00 0.00 N ATOM 221 CA SER A 16 5.885 -10.689 -5.509 1.00 0.00 C ATOM 222 C SER A 16 6.316 -9.245 -5.240 1.00 0.00 C ATOM 223 O SER A 16 7.413 -8.841 -5.577 1.00 0.00 O ATOM 224 CB SER A 16 4.592 -10.718 -6.322 1.00 0.00 C ATOM 225 OG SER A 16 4.289 -12.062 -6.675 1.00 0.00 O ATOM 0 H SER A 16 4.583 -11.686 -4.142 1.00 0.00 H new ATOM 0 HA SER A 16 6.710 -11.172 -6.034 1.00 0.00 H new ATOM 0 HB2 SER A 16 3.775 -10.289 -5.742 1.00 0.00 H new ATOM 0 HB3 SER A 16 4.700 -10.109 -7.220 1.00 0.00 H new ATOM 0 HG SER A 16 3.459 -12.084 -7.195 1.00 0.00 H new ATOM 231 N VAL A 17 5.466 -8.464 -4.634 1.00 0.00 N ATOM 232 CA VAL A 17 5.832 -7.048 -4.345 1.00 0.00 C ATOM 233 C VAL A 17 7.080 -7.006 -3.464 1.00 0.00 C ATOM 234 O VAL A 17 8.038 -6.322 -3.760 1.00 0.00 O ATOM 235 CB VAL A 17 4.628 -6.469 -3.605 1.00 0.00 C ATOM 236 CG1 VAL A 17 4.908 -5.012 -3.234 1.00 0.00 C ATOM 237 CG2 VAL A 17 3.395 -6.535 -4.510 1.00 0.00 C ATOM 0 H VAL A 17 4.535 -8.744 -4.326 1.00 0.00 H new ATOM 0 HA VAL A 17 6.058 -6.482 -5.249 1.00 0.00 H new ATOM 0 HB VAL A 17 4.447 -7.046 -2.698 1.00 0.00 H new ATOM 0 HG11 VAL A 17 4.048 -4.599 -2.706 1.00 0.00 H new ATOM 0 HG12 VAL A 17 5.787 -4.963 -2.591 1.00 0.00 H new ATOM 0 HG13 VAL A 17 5.089 -4.434 -4.140 1.00 0.00 H new ATOM 0 HG21 VAL A 17 2.535 -6.122 -3.983 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.577 -5.957 -5.416 1.00 0.00 H new ATOM 0 HG23 VAL A 17 3.194 -7.573 -4.776 1.00 0.00 H new ATOM 247 N TRP A 18 7.079 -7.741 -2.387 1.00 0.00 N ATOM 248 CA TRP A 18 8.272 -7.749 -1.494 1.00 0.00 C ATOM 249 C TRP A 18 9.543 -7.872 -2.332 1.00 0.00 C ATOM 250 O TRP A 18 10.370 -6.983 -2.363 1.00 0.00 O ATOM 251 CB TRP A 18 8.096 -8.986 -0.614 1.00 0.00 C ATOM 252 CG TRP A 18 9.289 -9.146 0.271 1.00 0.00 C ATOM 253 CD1 TRP A 18 10.470 -9.685 -0.109 1.00 0.00 C ATOM 254 CD2 TRP A 18 9.439 -8.776 1.672 1.00 0.00 C ATOM 255 NE1 TRP A 18 11.336 -9.669 0.970 1.00 0.00 N ATOM 256 CE2 TRP A 18 10.746 -9.119 2.091 1.00 0.00 C ATOM 257 CE3 TRP A 18 8.576 -8.183 2.611 1.00 0.00 C ATOM 258 CZ2 TRP A 18 11.182 -8.882 3.395 1.00 0.00 C ATOM 259 CZ3 TRP A 18 9.011 -7.942 3.923 1.00 0.00 C ATOM 260 CH2 TRP A 18 10.311 -8.291 4.316 1.00 0.00 C ATOM 0 H TRP A 18 6.306 -8.335 -2.087 1.00 0.00 H new ATOM 0 HA TRP A 18 8.358 -6.837 -0.904 1.00 0.00 H new ATOM 0 HB2 TRP A 18 7.193 -8.890 -0.011 1.00 0.00 H new ATOM 0 HB3 TRP A 18 7.971 -9.872 -1.236 1.00 0.00 H new ATOM 0 HD1 TRP A 18 10.699 -10.066 -1.093 1.00 0.00 H new ATOM 0 HE1 TRP A 18 12.293 -10.020 0.941 1.00 0.00 H new ATOM 0 HE3 TRP A 18 7.572 -7.911 2.320 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 12.185 -9.153 3.691 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 8.340 -7.485 4.635 1.00 0.00 H new ATOM 0 HH2 TRP A 18 10.639 -8.104 5.328 1.00 0.00 H new ATOM 271 N ALA A 19 9.699 -8.972 -3.012 1.00 0.00 N ATOM 272 CA ALA A 19 10.914 -9.166 -3.854 1.00 0.00 C ATOM 273 C ALA A 19 11.235 -7.886 -4.630 1.00 0.00 C ATOM 274 O ALA A 19 12.371 -7.462 -4.703 1.00 0.00 O ATOM 275 CB ALA A 19 10.551 -10.298 -4.815 1.00 0.00 C ATOM 0 H ALA A 19 9.037 -9.748 -3.022 1.00 0.00 H new ATOM 0 HA ALA A 19 11.795 -9.402 -3.257 1.00 0.00 H new ATOM 0 HB1 ALA A 19 11.396 -10.503 -5.472 1.00 0.00 H new ATOM 0 HB2 ALA A 19 10.309 -11.195 -4.245 1.00 0.00 H new ATOM 0 HB3 ALA A 19 9.689 -10.004 -5.414 1.00 0.00 H new ATOM 281 N TYR A 20 10.243 -7.269 -5.206 1.00 0.00 N ATOM 282 CA TYR A 20 10.492 -6.016 -5.977 1.00 0.00 C ATOM 283 C TYR A 20 11.149 -4.965 -5.078 1.00 0.00 C ATOM 284 O TYR A 20 12.266 -4.543 -5.310 1.00 0.00 O ATOM 285 CB TYR A 20 9.111 -5.543 -6.429 1.00 0.00 C ATOM 286 CG TYR A 20 9.265 -4.361 -7.357 1.00 0.00 C ATOM 287 CD1 TYR A 20 9.468 -4.568 -8.727 1.00 0.00 C ATOM 288 CD2 TYR A 20 9.205 -3.059 -6.846 1.00 0.00 C ATOM 289 CE1 TYR A 20 9.611 -3.472 -9.586 1.00 0.00 C ATOM 290 CE2 TYR A 20 9.349 -1.964 -7.706 1.00 0.00 C ATOM 291 CZ TYR A 20 9.552 -2.170 -9.076 1.00 0.00 C ATOM 292 OH TYR A 20 9.693 -1.090 -9.922 1.00 0.00 O ATOM 0 H TYR A 20 9.271 -7.576 -5.178 1.00 0.00 H new ATOM 0 HA TYR A 20 11.162 -6.179 -6.821 1.00 0.00 H new ATOM 0 HB2 TYR A 20 8.585 -6.352 -6.936 1.00 0.00 H new ATOM 0 HB3 TYR A 20 8.509 -5.265 -5.564 1.00 0.00 H new ATOM 0 HD1 TYR A 20 9.514 -5.573 -9.121 1.00 0.00 H new ATOM 0 HD2 TYR A 20 9.048 -2.900 -5.789 1.00 0.00 H new ATOM 0 HE1 TYR A 20 9.767 -3.631 -10.643 1.00 0.00 H new ATOM 0 HE2 TYR A 20 9.303 -0.959 -7.312 1.00 0.00 H new ATOM 0 HH TYR A 20 9.626 -0.259 -9.406 1.00 0.00 H new ATOM 302 N LEU A 21 10.462 -4.542 -4.053 1.00 0.00 N ATOM 303 CA LEU A 21 11.043 -3.521 -3.138 1.00 0.00 C ATOM 304 C LEU A 21 12.499 -3.871 -2.820 1.00 0.00 C ATOM 305 O LEU A 21 13.397 -3.084 -3.036 1.00 0.00 O ATOM 306 CB LEU A 21 10.185 -3.590 -1.875 1.00 0.00 C ATOM 307 CG LEU A 21 10.350 -2.298 -1.072 1.00 0.00 C ATOM 308 CD1 LEU A 21 9.568 -2.409 0.239 1.00 0.00 C ATOM 309 CD2 LEU A 21 11.832 -2.076 -0.762 1.00 0.00 C ATOM 0 H LEU A 21 9.524 -4.859 -3.810 1.00 0.00 H new ATOM 0 HA LEU A 21 11.043 -2.522 -3.575 1.00 0.00 H new ATOM 0 HB2 LEU A 21 9.138 -3.733 -2.142 1.00 0.00 H new ATOM 0 HB3 LEU A 21 10.480 -4.447 -1.269 1.00 0.00 H new ATOM 0 HG LEU A 21 9.970 -1.458 -1.653 1.00 0.00 H new ATOM 0 HD11 LEU A 21 9.685 -1.489 0.812 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.512 -2.568 0.020 1.00 0.00 H new ATOM 0 HD13 LEU A 21 9.949 -3.249 0.820 1.00 0.00 H new ATOM 0 HD21 LEU A 21 11.950 -1.156 -0.190 1.00 0.00 H new ATOM 0 HD22 LEU A 21 12.212 -2.916 -0.181 1.00 0.00 H new ATOM 0 HD23 LEU A 21 12.391 -1.998 -1.694 1.00 0.00 H new ATOM 321 N VAL A 22 12.738 -5.048 -2.309 1.00 0.00 N ATOM 322 CA VAL A 22 14.136 -5.448 -1.982 1.00 0.00 C ATOM 323 C VAL A 22 15.079 -5.029 -3.111 1.00 0.00 C ATOM 324 O VAL A 22 16.148 -4.499 -2.878 1.00 0.00 O ATOM 325 CB VAL A 22 14.094 -6.971 -1.854 1.00 0.00 C ATOM 326 CG1 VAL A 22 15.503 -7.500 -1.579 1.00 0.00 C ATOM 327 CG2 VAL A 22 13.170 -7.359 -0.697 1.00 0.00 C ATOM 0 H VAL A 22 12.026 -5.749 -2.104 1.00 0.00 H new ATOM 0 HA VAL A 22 14.500 -4.975 -1.070 1.00 0.00 H new ATOM 0 HB VAL A 22 13.719 -7.403 -2.782 1.00 0.00 H new ATOM 0 HG11 VAL A 22 15.473 -8.586 -1.488 1.00 0.00 H new ATOM 0 HG12 VAL A 22 16.163 -7.223 -2.402 1.00 0.00 H new ATOM 0 HG13 VAL A 22 15.879 -7.068 -0.651 1.00 0.00 H new ATOM 0 HG21 VAL A 22 13.139 -8.445 -0.604 1.00 0.00 H new ATOM 0 HG22 VAL A 22 13.546 -6.926 0.230 1.00 0.00 H new ATOM 0 HG23 VAL A 22 12.166 -6.983 -0.891 1.00 0.00 H new ATOM 337 N ALA A 23 14.689 -5.263 -4.330 1.00 0.00 N ATOM 338 CA ALA A 23 15.555 -4.881 -5.480 1.00 0.00 C ATOM 339 C ALA A 23 15.854 -3.380 -5.441 1.00 0.00 C ATOM 340 O ALA A 23 16.997 -2.965 -5.422 1.00 0.00 O ATOM 341 CB ALA A 23 14.740 -5.232 -6.724 1.00 0.00 C ATOM 0 H ALA A 23 13.805 -5.704 -4.582 1.00 0.00 H new ATOM 0 HA ALA A 23 16.515 -5.397 -5.463 1.00 0.00 H new ATOM 0 HB1 ALA A 23 15.312 -4.979 -7.617 1.00 0.00 H new ATOM 0 HB2 ALA A 23 14.519 -6.299 -6.725 1.00 0.00 H new ATOM 0 HB3 ALA A 23 13.807 -4.668 -6.719 1.00 0.00 H new ATOM 347 N LEU A 24 14.838 -2.562 -5.425 1.00 0.00 N ATOM 348 CA LEU A 24 15.068 -1.089 -5.384 1.00 0.00 C ATOM 349 C LEU A 24 16.066 -0.745 -4.276 1.00 0.00 C ATOM 350 O LEU A 24 16.995 0.013 -4.475 1.00 0.00 O ATOM 351 CB LEU A 24 13.699 -0.482 -5.075 1.00 0.00 C ATOM 352 CG LEU A 24 13.675 0.979 -5.527 1.00 0.00 C ATOM 353 CD1 LEU A 24 14.014 1.060 -7.016 1.00 0.00 C ATOM 354 CD2 LEU A 24 12.282 1.564 -5.289 1.00 0.00 C ATOM 0 H LEU A 24 13.859 -2.849 -5.439 1.00 0.00 H new ATOM 0 HA LEU A 24 15.481 -0.709 -6.318 1.00 0.00 H new ATOM 0 HB2 LEU A 24 12.917 -1.044 -5.585 1.00 0.00 H new ATOM 0 HB3 LEU A 24 13.493 -0.547 -4.007 1.00 0.00 H new ATOM 0 HG LEU A 24 14.410 1.546 -4.956 1.00 0.00 H new ATOM 0 HD11 LEU A 24 13.997 2.102 -7.337 1.00 0.00 H new ATOM 0 HD12 LEU A 24 15.007 0.644 -7.186 1.00 0.00 H new ATOM 0 HD13 LEU A 24 13.280 0.492 -7.588 1.00 0.00 H new ATOM 0 HD21 LEU A 24 12.265 2.605 -5.611 1.00 0.00 H new ATOM 0 HD22 LEU A 24 11.547 0.996 -5.859 1.00 0.00 H new ATOM 0 HD23 LEU A 24 12.041 1.509 -4.228 1.00 0.00 H new ATOM 366 N VAL A 25 15.880 -1.301 -3.112 1.00 0.00 N ATOM 367 CA VAL A 25 16.816 -1.012 -1.985 1.00 0.00 C ATOM 368 C VAL A 25 17.548 -2.297 -1.564 1.00 0.00 C ATOM 369 O VAL A 25 18.610 -2.604 -2.066 1.00 0.00 O ATOM 370 CB VAL A 25 15.935 -0.462 -0.848 1.00 0.00 C ATOM 371 CG1 VAL A 25 14.580 -1.181 -0.821 1.00 0.00 C ATOM 372 CG2 VAL A 25 16.638 -0.654 0.495 1.00 0.00 C ATOM 0 H VAL A 25 15.120 -1.944 -2.890 1.00 0.00 H new ATOM 0 HA VAL A 25 17.588 -0.294 -2.260 1.00 0.00 H new ATOM 0 HB VAL A 25 15.769 0.601 -1.025 1.00 0.00 H new ATOM 0 HG11 VAL A 25 13.971 -0.779 -0.011 1.00 0.00 H new ATOM 0 HG12 VAL A 25 14.068 -1.028 -1.771 1.00 0.00 H new ATOM 0 HG13 VAL A 25 14.737 -2.248 -0.662 1.00 0.00 H new ATOM 0 HG21 VAL A 25 16.009 -0.263 1.294 1.00 0.00 H new ATOM 0 HG22 VAL A 25 16.819 -1.716 0.663 1.00 0.00 H new ATOM 0 HG23 VAL A 25 17.589 -0.121 0.488 1.00 0.00 H new ATOM 382 N GLY A 26 16.996 -3.047 -0.648 1.00 0.00 N ATOM 383 CA GLY A 26 17.668 -4.299 -0.204 1.00 0.00 C ATOM 384 C GLY A 26 16.904 -4.892 0.981 1.00 0.00 C ATOM 385 O GLY A 26 16.080 -4.239 1.588 1.00 0.00 O ATOM 0 H GLY A 26 16.108 -2.845 -0.189 1.00 0.00 H new ATOM 0 HA2 GLY A 26 17.703 -5.016 -1.024 1.00 0.00 H new ATOM 0 HA3 GLY A 26 18.699 -4.090 0.081 1.00 0.00 H new ATOM 389 N ALA A 27 17.167 -6.126 1.312 1.00 0.00 N ATOM 390 CA ALA A 27 16.451 -6.758 2.455 1.00 0.00 C ATOM 391 C ALA A 27 16.733 -5.999 3.754 1.00 0.00 C ATOM 392 O ALA A 27 16.012 -6.123 4.723 1.00 0.00 O ATOM 393 CB ALA A 27 17.007 -8.181 2.532 1.00 0.00 C ATOM 0 H ALA A 27 17.846 -6.723 0.841 1.00 0.00 H new ATOM 0 HA ALA A 27 15.370 -6.747 2.317 1.00 0.00 H new ATOM 0 HB1 ALA A 27 16.528 -8.715 3.353 1.00 0.00 H new ATOM 0 HB2 ALA A 27 16.807 -8.701 1.595 1.00 0.00 H new ATOM 0 HB3 ALA A 27 18.083 -8.143 2.703 1.00 0.00 H new ATOM 399 N ALA A 28 17.777 -5.216 3.786 1.00 0.00 N ATOM 400 CA ALA A 28 18.095 -4.456 5.024 1.00 0.00 C ATOM 401 C ALA A 28 17.087 -3.324 5.218 1.00 0.00 C ATOM 402 O ALA A 28 16.348 -3.298 6.182 1.00 0.00 O ATOM 403 CB ALA A 28 19.501 -3.897 4.803 1.00 0.00 C ATOM 0 H ALA A 28 18.421 -5.071 3.009 1.00 0.00 H new ATOM 0 HA ALA A 28 18.047 -5.081 5.916 1.00 0.00 H new ATOM 0 HB1 ALA A 28 19.806 -3.322 5.678 1.00 0.00 H new ATOM 0 HB2 ALA A 28 20.199 -4.719 4.648 1.00 0.00 H new ATOM 0 HB3 ALA A 28 19.502 -3.250 3.926 1.00 0.00 H new ATOM 409 N ALA A 29 17.042 -2.394 4.306 1.00 0.00 N ATOM 410 CA ALA A 29 16.067 -1.276 4.445 1.00 0.00 C ATOM 411 C ALA A 29 14.646 -1.834 4.397 1.00 0.00 C ATOM 412 O ALA A 29 13.708 -1.218 4.863 1.00 0.00 O ATOM 413 CB ALA A 29 16.325 -0.362 3.247 1.00 0.00 C ATOM 0 H ALA A 29 17.633 -2.359 3.476 1.00 0.00 H new ATOM 0 HA ALA A 29 16.178 -0.739 5.387 1.00 0.00 H new ATOM 0 HB1 ALA A 29 15.641 0.486 3.283 1.00 0.00 H new ATOM 0 HB2 ALA A 29 17.353 -0.001 3.279 1.00 0.00 H new ATOM 0 HB3 ALA A 29 16.165 -0.919 2.324 1.00 0.00 H new ATOM 419 N VAL A 30 14.484 -3.002 3.839 1.00 0.00 N ATOM 420 CA VAL A 30 13.126 -3.606 3.763 1.00 0.00 C ATOM 421 C VAL A 30 12.710 -4.127 5.141 1.00 0.00 C ATOM 422 O VAL A 30 11.556 -4.068 5.515 1.00 0.00 O ATOM 423 CB VAL A 30 13.259 -4.761 2.769 1.00 0.00 C ATOM 424 CG1 VAL A 30 12.055 -5.695 2.904 1.00 0.00 C ATOM 425 CG2 VAL A 30 13.311 -4.203 1.344 1.00 0.00 C ATOM 0 H VAL A 30 15.233 -3.563 3.433 1.00 0.00 H new ATOM 0 HA VAL A 30 12.368 -2.888 3.449 1.00 0.00 H new ATOM 0 HB VAL A 30 14.174 -5.315 2.979 1.00 0.00 H new ATOM 0 HG11 VAL A 30 12.151 -6.517 2.195 1.00 0.00 H new ATOM 0 HG12 VAL A 30 12.015 -6.093 3.918 1.00 0.00 H new ATOM 0 HG13 VAL A 30 11.140 -5.141 2.695 1.00 0.00 H new ATOM 0 HG21 VAL A 30 13.406 -5.025 0.635 1.00 0.00 H new ATOM 0 HG22 VAL A 30 12.396 -3.649 1.137 1.00 0.00 H new ATOM 0 HG23 VAL A 30 14.169 -3.538 1.245 1.00 0.00 H new ATOM 435 N THR A 31 13.643 -4.637 5.901 1.00 0.00 N ATOM 436 CA THR A 31 13.295 -5.159 7.254 1.00 0.00 C ATOM 437 C THR A 31 13.266 -4.012 8.269 1.00 0.00 C ATOM 438 O THR A 31 12.579 -4.073 9.269 1.00 0.00 O ATOM 439 CB THR A 31 14.408 -6.151 7.595 1.00 0.00 C ATOM 440 OG1 THR A 31 14.362 -7.241 6.684 1.00 0.00 O ATOM 441 CG2 THR A 31 14.216 -6.668 9.021 1.00 0.00 C ATOM 0 H THR A 31 14.627 -4.714 5.644 1.00 0.00 H new ATOM 0 HA THR A 31 12.312 -5.629 7.277 1.00 0.00 H new ATOM 0 HB THR A 31 15.375 -5.653 7.520 1.00 0.00 H new ATOM 0 HG1 THR A 31 14.890 -7.024 5.887 1.00 0.00 H new ATOM 0 HG21 THR A 31 15.010 -7.375 9.262 1.00 0.00 H new ATOM 0 HG22 THR A 31 14.251 -5.832 9.719 1.00 0.00 H new ATOM 0 HG23 THR A 31 13.250 -7.167 9.100 1.00 0.00 H new ATOM 449 N ALA A 32 14.003 -2.967 8.015 1.00 0.00 N ATOM 450 CA ALA A 32 14.015 -1.815 8.962 1.00 0.00 C ATOM 451 C ALA A 32 12.876 -0.850 8.627 1.00 0.00 C ATOM 452 O ALA A 32 12.510 -0.003 9.419 1.00 0.00 O ATOM 453 CB ALA A 32 15.371 -1.140 8.749 1.00 0.00 C ATOM 0 H ALA A 32 14.598 -2.860 7.193 1.00 0.00 H new ATOM 0 HA ALA A 32 13.875 -2.127 9.997 1.00 0.00 H new ATOM 0 HB1 ALA A 32 15.457 -0.279 9.412 1.00 0.00 H new ATOM 0 HB2 ALA A 32 16.169 -1.849 8.969 1.00 0.00 H new ATOM 0 HB3 ALA A 32 15.454 -0.810 7.714 1.00 0.00 H new ATOM 459 N ALA A 33 12.308 -0.975 7.458 1.00 0.00 N ATOM 460 CA ALA A 33 11.188 -0.070 7.071 1.00 0.00 C ATOM 461 C ALA A 33 9.854 -0.687 7.495 1.00 0.00 C ATOM 462 O ALA A 33 8.819 -0.405 6.926 1.00 0.00 O ATOM 463 CB ALA A 33 11.273 0.039 5.548 1.00 0.00 C ATOM 0 H ALA A 33 12.571 -1.665 6.754 1.00 0.00 H new ATOM 0 HA ALA A 33 11.256 0.907 7.549 1.00 0.00 H new ATOM 0 HB1 ALA A 33 10.479 0.691 5.185 1.00 0.00 H new ATOM 0 HB2 ALA A 33 12.241 0.454 5.266 1.00 0.00 H new ATOM 0 HB3 ALA A 33 11.161 -0.951 5.106 1.00 0.00 H new ATOM 469 N ASN A 34 9.878 -1.529 8.489 1.00 0.00 N ATOM 470 CA ASN A 34 8.619 -2.174 8.961 1.00 0.00 C ATOM 471 C ASN A 34 7.819 -2.719 7.772 1.00 0.00 C ATOM 472 O ASN A 34 6.747 -2.237 7.450 1.00 0.00 O ATOM 473 CB ASN A 34 7.848 -1.064 9.676 1.00 0.00 C ATOM 474 CG ASN A 34 6.664 -1.670 10.430 1.00 0.00 C ATOM 475 OD1 ASN A 34 6.485 -2.871 10.440 1.00 0.00 O ATOM 476 ND2 ASN A 34 5.839 -0.883 11.066 1.00 0.00 N ATOM 0 H ASN A 34 10.719 -1.800 8.998 1.00 0.00 H new ATOM 0 HA ASN A 34 8.811 -3.021 9.620 1.00 0.00 H new ATOM 0 HB2 ASN A 34 8.505 -0.539 10.370 1.00 0.00 H new ATOM 0 HB3 ASN A 34 7.495 -0.328 8.953 1.00 0.00 H new ATOM 0 HD21 ASN A 34 5.045 -1.277 11.571 1.00 0.00 H new ATOM 0 HD22 ASN A 34 5.988 0.126 11.058 1.00 0.00 H new ATOM 483 N ILE A 35 8.331 -3.730 7.125 1.00 0.00 N ATOM 484 CA ILE A 35 7.605 -4.323 5.966 1.00 0.00 C ATOM 485 C ILE A 35 7.361 -5.811 6.226 1.00 0.00 C ATOM 486 O ILE A 35 8.274 -6.557 6.516 1.00 0.00 O ATOM 487 CB ILE A 35 8.536 -4.132 4.768 1.00 0.00 C ATOM 488 CG1 ILE A 35 8.523 -2.662 4.342 1.00 0.00 C ATOM 489 CG2 ILE A 35 8.059 -5.002 3.604 1.00 0.00 C ATOM 490 CD1 ILE A 35 9.641 -2.415 3.328 1.00 0.00 C ATOM 0 H ILE A 35 9.223 -4.172 7.349 1.00 0.00 H new ATOM 0 HA ILE A 35 6.634 -3.857 5.796 1.00 0.00 H new ATOM 0 HB ILE A 35 9.549 -4.423 5.047 1.00 0.00 H new ATOM 0 HG12 ILE A 35 7.558 -2.408 3.904 1.00 0.00 H new ATOM 0 HG13 ILE A 35 8.658 -2.019 5.212 1.00 0.00 H new ATOM 0 HG21 ILE A 35 8.724 -4.865 2.751 1.00 0.00 H new ATOM 0 HG22 ILE A 35 8.067 -6.049 3.905 1.00 0.00 H new ATOM 0 HG23 ILE A 35 7.046 -4.713 3.325 1.00 0.00 H new ATOM 0 HD11 ILE A 35 9.632 -1.368 3.024 1.00 0.00 H new ATOM 0 HD12 ILE A 35 10.603 -2.653 3.782 1.00 0.00 H new ATOM 0 HD13 ILE A 35 9.486 -3.048 2.454 1.00 0.00 H new ATOM 502 N ARG A 36 6.136 -6.249 6.132 1.00 0.00 N ATOM 503 CA ARG A 36 5.846 -7.689 6.384 1.00 0.00 C ATOM 504 C ARG A 36 5.484 -8.399 5.078 1.00 0.00 C ATOM 505 O ARG A 36 4.882 -7.824 4.191 1.00 0.00 O ATOM 506 CB ARG A 36 4.653 -7.694 7.340 1.00 0.00 C ATOM 507 CG ARG A 36 5.047 -7.026 8.659 1.00 0.00 C ATOM 508 CD ARG A 36 4.115 -7.510 9.772 1.00 0.00 C ATOM 509 NE ARG A 36 4.445 -6.659 10.950 1.00 0.00 N ATOM 510 CZ ARG A 36 3.912 -6.919 12.112 1.00 0.00 C ATOM 511 NH1 ARG A 36 2.628 -7.128 12.210 1.00 0.00 N ATOM 512 NH2 ARG A 36 4.665 -6.972 13.177 1.00 0.00 N ATOM 0 H ARG A 36 5.327 -5.676 5.893 1.00 0.00 H new ATOM 0 HA ARG A 36 6.707 -8.211 6.800 1.00 0.00 H new ATOM 0 HB2 ARG A 36 3.812 -7.166 6.891 1.00 0.00 H new ATOM 0 HB3 ARG A 36 4.325 -8.717 7.523 1.00 0.00 H new ATOM 0 HG2 ARG A 36 6.081 -7.265 8.906 1.00 0.00 H new ATOM 0 HG3 ARG A 36 4.985 -5.942 8.563 1.00 0.00 H new ATOM 0 HD2 ARG A 36 3.069 -7.400 9.486 1.00 0.00 H new ATOM 0 HD3 ARG A 36 4.276 -8.566 9.990 1.00 0.00 H new ATOM 0 HE ARG A 36 5.087 -5.873 10.848 1.00 0.00 H new ATOM 0 HH11 ARG A 36 2.040 -7.088 11.378 1.00 0.00 H new ATOM 0 HH12 ARG A 36 2.212 -7.331 13.119 1.00 0.00 H new ATOM 0 HH21 ARG A 36 5.669 -6.810 13.100 1.00 0.00 H new ATOM 0 HH22 ARG A 36 4.249 -7.175 14.086 1.00 0.00 H new ATOM 526 N ARG A 37 5.841 -9.648 4.961 1.00 0.00 N ATOM 527 CA ARG A 37 5.512 -10.406 3.722 1.00 0.00 C ATOM 528 C ARG A 37 4.187 -11.147 3.909 1.00 0.00 C ATOM 529 O ARG A 37 3.875 -11.616 4.985 1.00 0.00 O ATOM 530 CB ARG A 37 6.664 -11.395 3.540 1.00 0.00 C ATOM 531 CG ARG A 37 7.658 -10.835 2.522 1.00 0.00 C ATOM 532 CD ARG A 37 8.009 -11.919 1.500 1.00 0.00 C ATOM 533 NE ARG A 37 8.276 -13.138 2.310 1.00 0.00 N ATOM 534 CZ ARG A 37 8.280 -14.313 1.741 1.00 0.00 C ATOM 535 NH1 ARG A 37 9.316 -14.699 1.048 1.00 0.00 N ATOM 536 NH2 ARG A 37 7.246 -15.100 1.863 1.00 0.00 N ATOM 0 H ARG A 37 6.347 -10.177 5.671 1.00 0.00 H new ATOM 0 HA ARG A 37 5.400 -9.758 2.853 1.00 0.00 H new ATOM 0 HB2 ARG A 37 7.162 -11.569 4.494 1.00 0.00 H new ATOM 0 HB3 ARG A 37 6.281 -12.357 3.200 1.00 0.00 H new ATOM 0 HG2 ARG A 37 7.229 -9.970 2.017 1.00 0.00 H new ATOM 0 HG3 ARG A 37 8.560 -10.493 3.029 1.00 0.00 H new ATOM 0 HD2 ARG A 37 7.190 -12.082 0.800 1.00 0.00 H new ATOM 0 HD3 ARG A 37 8.881 -11.638 0.910 1.00 0.00 H new ATOM 0 HE ARG A 37 8.456 -13.056 3.311 1.00 0.00 H new ATOM 0 HH11 ARG A 37 10.123 -14.083 0.951 1.00 0.00 H new ATOM 0 HH12 ARG A 37 9.319 -15.617 0.604 1.00 0.00 H new ATOM 0 HH21 ARG A 37 6.435 -14.797 2.403 1.00 0.00 H new ATOM 0 HH22 ARG A 37 7.249 -16.018 1.419 1.00 0.00 H new ATOM 550 N ALA A 38 3.401 -11.251 2.875 1.00 0.00 N ATOM 551 CA ALA A 38 2.094 -11.954 3.004 1.00 0.00 C ATOM 552 C ALA A 38 2.069 -13.202 2.116 1.00 0.00 C ATOM 553 O ALA A 38 2.772 -13.287 1.129 1.00 0.00 O ATOM 554 CB ALA A 38 1.055 -10.937 2.536 1.00 0.00 C ATOM 0 H ALA A 38 3.606 -10.880 1.947 1.00 0.00 H new ATOM 0 HA ALA A 38 1.905 -12.292 4.023 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.060 -11.378 2.600 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.101 -10.052 3.170 1.00 0.00 H new ATOM 0 HB3 ALA A 38 1.261 -10.655 1.504 1.00 0.00 H new ATOM 560 N SER A 39 1.263 -14.168 2.460 1.00 0.00 N ATOM 561 CA SER A 39 1.192 -15.410 1.636 1.00 0.00 C ATOM 562 C SER A 39 1.110 -15.054 0.150 1.00 0.00 C ATOM 563 O SER A 39 1.521 -15.812 -0.704 1.00 0.00 O ATOM 564 CB SER A 39 -0.086 -16.114 2.090 1.00 0.00 C ATOM 565 OG SER A 39 -0.195 -16.024 3.504 1.00 0.00 O ATOM 0 H SER A 39 0.650 -14.152 3.275 1.00 0.00 H new ATOM 0 HA SER A 39 2.072 -16.041 1.763 1.00 0.00 H new ATOM 0 HB2 SER A 39 -0.955 -15.656 1.617 1.00 0.00 H new ATOM 0 HB3 SER A 39 -0.069 -17.159 1.781 1.00 0.00 H new ATOM 0 HG SER A 39 -1.015 -16.473 3.798 1.00 0.00 H new ATOM 571 N SER A 40 0.582 -13.903 -0.163 1.00 0.00 N ATOM 572 CA SER A 40 0.472 -13.497 -1.594 1.00 0.00 C ATOM 573 C SER A 40 0.177 -11.998 -1.698 1.00 0.00 C ATOM 574 O SER A 40 0.359 -11.253 -0.755 1.00 0.00 O ATOM 575 CB SER A 40 -0.693 -14.313 -2.149 1.00 0.00 C ATOM 576 OG SER A 40 -0.195 -15.519 -2.714 1.00 0.00 O ATOM 0 H SER A 40 0.222 -13.226 0.509 1.00 0.00 H new ATOM 0 HA SER A 40 1.394 -13.677 -2.146 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.406 -14.537 -1.355 1.00 0.00 H new ATOM 0 HB3 SER A 40 -1.228 -13.738 -2.905 1.00 0.00 H new ATOM 0 HG SER A 40 0.533 -15.866 -2.156 1.00 0.00 H new ATOM 582 N ASP A 41 -0.275 -11.549 -2.836 1.00 0.00 N ATOM 583 CA ASP A 41 -0.579 -10.099 -2.999 1.00 0.00 C ATOM 584 C ASP A 41 -1.820 -9.721 -2.186 1.00 0.00 C ATOM 585 O ASP A 41 -2.115 -8.558 -1.991 1.00 0.00 O ATOM 586 CB ASP A 41 -0.845 -9.919 -4.494 1.00 0.00 C ATOM 587 CG ASP A 41 0.456 -10.114 -5.273 1.00 0.00 C ATOM 588 OD1 ASP A 41 1.464 -10.394 -4.645 1.00 0.00 O ATOM 589 OD2 ASP A 41 0.425 -9.978 -6.485 1.00 0.00 O ATOM 0 H ASP A 41 -0.447 -12.124 -3.661 1.00 0.00 H new ATOM 0 HA ASP A 41 0.235 -9.465 -2.647 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -1.593 -10.637 -4.830 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.249 -8.925 -4.685 1.00 0.00 H new ATOM 594 N ASN A 42 -2.550 -10.693 -1.712 1.00 0.00 N ATOM 595 CA ASN A 42 -3.773 -10.387 -0.915 1.00 0.00 C ATOM 596 C ASN A 42 -3.450 -10.391 0.583 1.00 0.00 C ATOM 597 O ASN A 42 -3.303 -11.430 1.193 1.00 0.00 O ATOM 598 CB ASN A 42 -4.754 -11.510 -1.253 1.00 0.00 C ATOM 599 CG ASN A 42 -6.152 -11.133 -0.759 1.00 0.00 C ATOM 600 OD1 ASN A 42 -7.068 -10.989 -1.545 1.00 0.00 O ATOM 601 ND2 ASN A 42 -6.356 -10.967 0.519 1.00 0.00 N ATOM 0 H ASN A 42 -2.353 -11.685 -1.842 1.00 0.00 H new ATOM 0 HA ASN A 42 -4.180 -9.403 -1.147 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -4.771 -11.681 -2.329 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -4.431 -12.441 -0.788 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -7.284 -10.716 0.859 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -5.587 -11.088 1.178 1.00 0.00 H new ATOM 608 N HIS A 43 -3.343 -9.233 1.180 1.00 0.00 N ATOM 609 CA HIS A 43 -3.034 -9.172 2.636 1.00 0.00 C ATOM 610 C HIS A 43 -3.788 -8.015 3.291 1.00 0.00 C ATOM 611 O HIS A 43 -4.472 -7.254 2.635 1.00 0.00 O ATOM 612 CB HIS A 43 -1.523 -8.938 2.732 1.00 0.00 C ATOM 613 CG HIS A 43 -1.061 -7.992 1.649 1.00 0.00 C ATOM 614 ND1 HIS A 43 -0.900 -6.630 1.867 1.00 0.00 N ATOM 615 CD2 HIS A 43 -0.691 -8.207 0.346 1.00 0.00 C ATOM 616 CE1 HIS A 43 -0.443 -6.085 0.720 1.00 0.00 C ATOM 617 NE2 HIS A 43 -0.301 -7.004 -0.238 1.00 0.00 N ATOM 0 H HIS A 43 -3.456 -8.329 0.722 1.00 0.00 H new ATOM 0 HA HIS A 43 -3.335 -10.086 3.148 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -1.275 -8.528 3.711 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -0.996 -9.888 2.642 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -0.701 -9.165 -0.152 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -0.220 -5.036 0.593 1.00 0.00 H new ATOM 0 HE2 HIS A 43 0.024 -6.857 -1.194 1.00 0.00 H new ATOM 625 N SER A 44 -3.661 -7.875 4.581 1.00 0.00 N ATOM 626 CA SER A 44 -4.361 -6.762 5.278 1.00 0.00 C ATOM 627 C SER A 44 -3.540 -5.480 5.148 1.00 0.00 C ATOM 628 O SER A 44 -2.347 -5.473 5.382 1.00 0.00 O ATOM 629 CB SER A 44 -4.444 -7.192 6.742 1.00 0.00 C ATOM 630 OG SER A 44 -3.139 -7.197 7.304 1.00 0.00 O ATOM 0 H SER A 44 -3.103 -8.482 5.181 1.00 0.00 H new ATOM 0 HA SER A 44 -5.348 -6.565 4.859 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.089 -6.511 7.297 1.00 0.00 H new ATOM 0 HB3 SER A 44 -4.889 -8.184 6.817 1.00 0.00 H new ATOM 0 HG SER A 44 -2.540 -6.661 6.744 1.00 0.00 H new ATOM 636 N CYS A 45 -4.160 -4.397 4.777 1.00 0.00 N ATOM 637 CA CYS A 45 -3.393 -3.128 4.639 1.00 0.00 C ATOM 638 C CYS A 45 -4.013 -2.029 5.498 1.00 0.00 C ATOM 639 O CYS A 45 -5.039 -2.211 6.130 1.00 0.00 O ATOM 640 CB CYS A 45 -3.468 -2.761 3.158 1.00 0.00 C ATOM 641 SG CYS A 45 -5.172 -2.924 2.572 1.00 0.00 S ATOM 0 H CYS A 45 -5.156 -4.334 4.565 1.00 0.00 H new ATOM 0 HA CYS A 45 -2.362 -3.243 4.973 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -3.119 -1.739 3.009 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -2.811 -3.410 2.579 1.00 0.00 H new ATOM 646 N ALA A 46 -3.383 -0.890 5.533 1.00 0.00 N ATOM 647 CA ALA A 46 -3.913 0.227 6.361 1.00 0.00 C ATOM 648 C ALA A 46 -4.178 -0.282 7.776 1.00 0.00 C ATOM 649 O ALA A 46 -5.135 0.102 8.419 1.00 0.00 O ATOM 650 CB ALA A 46 -5.218 0.646 5.682 1.00 0.00 C ATOM 0 H ALA A 46 -2.524 -0.684 5.024 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.220 1.065 6.437 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -5.669 1.468 6.237 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.010 0.968 4.662 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -5.906 -0.199 5.663 1.00 0.00 H new ATOM 656 N GLY A 47 -3.341 -1.160 8.261 1.00 0.00 N ATOM 657 CA GLY A 47 -3.549 -1.713 9.627 1.00 0.00 C ATOM 658 C GLY A 47 -4.817 -2.565 9.618 1.00 0.00 C ATOM 659 O GLY A 47 -5.182 -3.134 8.609 1.00 0.00 O ATOM 0 H GLY A 47 -2.522 -1.517 7.768 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.691 -2.314 9.927 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -3.641 -0.905 10.353 1.00 0.00 H new ATOM 663 N ASN A 48 -5.500 -2.652 10.722 1.00 0.00 N ATOM 664 CA ASN A 48 -6.747 -3.458 10.756 1.00 0.00 C ATOM 665 C ASN A 48 -7.923 -2.617 10.251 1.00 0.00 C ATOM 666 O ASN A 48 -8.998 -2.633 10.816 1.00 0.00 O ATOM 667 CB ASN A 48 -6.942 -3.830 12.226 1.00 0.00 C ATOM 668 CG ASN A 48 -5.789 -4.725 12.683 1.00 0.00 C ATOM 669 OD1 ASN A 48 -5.118 -4.424 13.650 1.00 0.00 O ATOM 670 ND2 ASN A 48 -5.529 -5.821 12.024 1.00 0.00 N ATOM 0 H ASN A 48 -5.249 -2.200 11.601 1.00 0.00 H new ATOM 0 HA ASN A 48 -6.689 -4.342 10.121 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -6.982 -2.929 12.838 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -7.892 -4.347 12.358 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -4.762 -6.425 12.321 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -6.092 -6.074 11.212 1.00 0.00 H new ATOM 677 N ARG A 49 -7.722 -1.870 9.196 1.00 0.00 N ATOM 678 CA ARG A 49 -8.821 -1.019 8.667 1.00 0.00 C ATOM 679 C ARG A 49 -9.212 -1.443 7.249 1.00 0.00 C ATOM 680 O ARG A 49 -10.372 -1.426 6.889 1.00 0.00 O ATOM 681 CB ARG A 49 -8.242 0.394 8.655 1.00 0.00 C ATOM 682 CG ARG A 49 -8.307 0.986 10.063 1.00 0.00 C ATOM 683 CD ARG A 49 -9.058 2.319 10.023 1.00 0.00 C ATOM 684 NE ARG A 49 -9.161 2.743 11.446 1.00 0.00 N ATOM 685 CZ ARG A 49 -9.061 4.007 11.759 1.00 0.00 C ATOM 686 NH1 ARG A 49 -9.999 4.842 11.405 1.00 0.00 N ATOM 687 NH2 ARG A 49 -8.024 4.436 12.424 1.00 0.00 N ATOM 0 H ARG A 49 -6.844 -1.815 8.681 1.00 0.00 H new ATOM 0 HA ARG A 49 -9.724 -1.099 9.272 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -7.210 0.372 8.306 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -8.800 1.021 7.960 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -8.810 0.293 10.737 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -7.300 1.135 10.453 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -8.520 3.058 9.429 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -10.044 2.204 9.573 1.00 0.00 H new ATOM 0 HE ARG A 49 -9.310 2.047 12.176 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -10.810 4.507 10.884 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -9.922 5.829 11.649 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -7.290 3.784 12.700 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -7.947 5.423 12.668 1.00 0.00 H new ATOM 701 N GLY A 50 -8.261 -1.809 6.435 1.00 0.00 N ATOM 702 CA GLY A 50 -8.608 -2.213 5.041 1.00 0.00 C ATOM 703 C GLY A 50 -8.011 -3.584 4.719 1.00 0.00 C ATOM 704 O GLY A 50 -7.230 -4.131 5.472 1.00 0.00 O ATOM 0 H GLY A 50 -7.269 -1.846 6.670 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -9.691 -2.244 4.924 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -8.232 -1.471 4.336 1.00 0.00 H new ATOM 708 N TRP A 51 -8.379 -4.139 3.595 1.00 0.00 N ATOM 709 CA TRP A 51 -7.845 -5.476 3.198 1.00 0.00 C ATOM 710 C TRP A 51 -7.486 -5.463 1.708 1.00 0.00 C ATOM 711 O TRP A 51 -7.765 -4.511 1.007 1.00 0.00 O ATOM 712 CB TRP A 51 -8.996 -6.450 3.460 1.00 0.00 C ATOM 713 CG TRP A 51 -8.751 -7.203 4.729 1.00 0.00 C ATOM 714 CD1 TRP A 51 -9.494 -7.089 5.854 1.00 0.00 C ATOM 715 CD2 TRP A 51 -7.717 -8.186 5.020 1.00 0.00 C ATOM 716 NE1 TRP A 51 -8.980 -7.939 6.817 1.00 0.00 N ATOM 717 CE2 TRP A 51 -7.884 -8.636 6.351 1.00 0.00 C ATOM 718 CE3 TRP A 51 -6.659 -8.724 4.266 1.00 0.00 C ATOM 719 CZ2 TRP A 51 -7.032 -9.588 6.913 1.00 0.00 C ATOM 720 CZ3 TRP A 51 -5.800 -9.682 4.829 1.00 0.00 C ATOM 721 CH2 TRP A 51 -5.987 -10.113 6.149 1.00 0.00 C ATOM 0 H TRP A 51 -9.030 -3.722 2.930 1.00 0.00 H new ATOM 0 HA TRP A 51 -6.945 -5.751 3.748 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -9.937 -5.904 3.528 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -9.091 -7.146 2.627 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -10.348 -6.441 5.980 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -9.364 -8.038 7.757 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -6.506 -8.399 3.248 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -7.180 -9.916 7.931 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -4.991 -10.089 4.241 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -5.324 -10.851 6.576 1.00 0.00 H new ATOM 732 N CYS A 52 -6.869 -6.502 1.212 1.00 0.00 N ATOM 733 CA CYS A 52 -6.500 -6.520 -0.234 1.00 0.00 C ATOM 734 C CYS A 52 -7.410 -7.469 -1.022 1.00 0.00 C ATOM 735 O CYS A 52 -7.338 -8.674 -0.883 1.00 0.00 O ATOM 736 CB CYS A 52 -5.061 -7.024 -0.267 1.00 0.00 C ATOM 737 SG CYS A 52 -4.266 -6.482 -1.798 1.00 0.00 S ATOM 0 H CYS A 52 -6.606 -7.334 1.741 1.00 0.00 H new ATOM 0 HA CYS A 52 -6.608 -5.535 -0.689 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -4.512 -6.644 0.594 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -5.044 -8.112 -0.201 1.00 0.00 H new ATOM 742 N ARG A 53 -8.254 -6.932 -1.861 1.00 0.00 N ATOM 743 CA ARG A 53 -9.157 -7.798 -2.675 1.00 0.00 C ATOM 744 C ARG A 53 -9.039 -7.410 -4.151 1.00 0.00 C ATOM 745 O ARG A 53 -8.870 -6.252 -4.479 1.00 0.00 O ATOM 746 CB ARG A 53 -10.578 -7.507 -2.181 1.00 0.00 C ATOM 747 CG ARG A 53 -10.604 -7.393 -0.655 1.00 0.00 C ATOM 748 CD ARG A 53 -11.129 -6.009 -0.268 1.00 0.00 C ATOM 749 NE ARG A 53 -10.796 -5.857 1.175 1.00 0.00 N ATOM 750 CZ ARG A 53 -11.729 -5.995 2.078 1.00 0.00 C ATOM 751 NH1 ARG A 53 -12.684 -5.111 2.168 1.00 0.00 N ATOM 752 NH2 ARG A 53 -11.705 -7.016 2.889 1.00 0.00 N ATOM 0 H ARG A 53 -8.358 -5.930 -2.019 1.00 0.00 H new ATOM 0 HA ARG A 53 -8.904 -8.854 -2.575 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -10.941 -6.581 -2.627 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -11.251 -8.302 -2.503 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -11.240 -8.169 -0.230 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -9.604 -7.543 -0.249 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -10.659 -5.228 -0.865 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -12.204 -5.934 -0.435 1.00 0.00 H new ATOM 0 HE ARG A 53 -9.839 -5.645 1.458 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -12.702 -4.313 1.533 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -13.413 -5.218 2.873 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -10.958 -7.706 2.818 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -12.434 -7.124 3.595 1.00 0.00 H new ATOM 766 N SER A 54 -9.142 -8.352 -5.048 1.00 0.00 N ATOM 767 CA SER A 54 -9.052 -7.992 -6.489 1.00 0.00 C ATOM 768 C SER A 54 -10.061 -6.885 -6.770 1.00 0.00 C ATOM 769 O SER A 54 -9.734 -5.836 -7.288 1.00 0.00 O ATOM 770 CB SER A 54 -9.420 -9.268 -7.247 1.00 0.00 C ATOM 771 OG SER A 54 -9.497 -8.982 -8.638 1.00 0.00 O ATOM 0 H SER A 54 -9.283 -9.342 -4.849 1.00 0.00 H new ATOM 0 HA SER A 54 -8.066 -7.634 -6.784 1.00 0.00 H new ATOM 0 HB2 SER A 54 -8.674 -10.042 -7.064 1.00 0.00 H new ATOM 0 HB3 SER A 54 -10.375 -9.654 -6.890 1.00 0.00 H new ATOM 0 HG SER A 54 -9.731 -9.798 -9.127 1.00 0.00 H new ATOM 777 N LYS A 55 -11.287 -7.119 -6.406 1.00 0.00 N ATOM 778 CA LYS A 55 -12.346 -6.104 -6.610 1.00 0.00 C ATOM 779 C LYS A 55 -13.040 -5.801 -5.289 1.00 0.00 C ATOM 780 O LYS A 55 -12.735 -6.380 -4.265 1.00 0.00 O ATOM 781 CB LYS A 55 -13.323 -6.747 -7.586 1.00 0.00 C ATOM 782 CG LYS A 55 -12.930 -6.313 -8.980 1.00 0.00 C ATOM 783 CD LYS A 55 -14.080 -5.536 -9.626 1.00 0.00 C ATOM 784 CE LYS A 55 -13.605 -4.128 -9.989 1.00 0.00 C ATOM 785 NZ LYS A 55 -13.489 -3.414 -8.688 1.00 0.00 N ATOM 0 H LYS A 55 -11.603 -7.985 -5.969 1.00 0.00 H new ATOM 0 HA LYS A 55 -11.950 -5.162 -6.988 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -13.291 -7.833 -7.500 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -14.345 -6.440 -7.363 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -12.037 -5.690 -8.938 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -12.683 -7.185 -9.586 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -14.427 -6.055 -10.519 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -14.926 -5.480 -8.940 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -12.648 -4.156 -10.510 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -14.314 -3.630 -10.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -13.689 -2.403 -8.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -14.171 -3.812 -8.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -12.525 -3.527 -8.315 1.00 0.00 H new ATOM 799 N CYS A 56 -13.974 -4.902 -5.306 1.00 0.00 N ATOM 800 CA CYS A 56 -14.693 -4.566 -4.041 1.00 0.00 C ATOM 801 C CYS A 56 -16.080 -3.989 -4.340 1.00 0.00 C ATOM 802 O CYS A 56 -16.421 -3.717 -5.475 1.00 0.00 O ATOM 803 CB CYS A 56 -13.803 -3.536 -3.341 1.00 0.00 C ATOM 804 SG CYS A 56 -12.557 -4.410 -2.355 1.00 0.00 S ATOM 0 H CYS A 56 -14.274 -4.384 -6.132 1.00 0.00 H new ATOM 0 HA CYS A 56 -14.861 -5.444 -3.418 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -13.319 -2.894 -4.077 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -14.405 -2.890 -2.701 1.00 0.00 H new ATOM 809 N PHE A 57 -16.887 -3.815 -3.327 1.00 0.00 N ATOM 810 CA PHE A 57 -18.259 -3.274 -3.541 1.00 0.00 C ATOM 811 C PHE A 57 -18.221 -1.752 -3.704 1.00 0.00 C ATOM 812 O PHE A 57 -17.178 -1.134 -3.629 1.00 0.00 O ATOM 813 CB PHE A 57 -19.025 -3.656 -2.275 1.00 0.00 C ATOM 814 CG PHE A 57 -18.792 -5.115 -1.964 1.00 0.00 C ATOM 815 CD1 PHE A 57 -19.172 -6.097 -2.886 1.00 0.00 C ATOM 816 CD2 PHE A 57 -18.195 -5.486 -0.752 1.00 0.00 C ATOM 817 CE1 PHE A 57 -18.955 -7.451 -2.598 1.00 0.00 C ATOM 818 CE2 PHE A 57 -17.979 -6.839 -0.464 1.00 0.00 C ATOM 819 CZ PHE A 57 -18.359 -7.821 -1.386 1.00 0.00 C ATOM 0 H PHE A 57 -16.653 -4.026 -2.357 1.00 0.00 H new ATOM 0 HA PHE A 57 -18.722 -3.671 -4.444 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -18.697 -3.038 -1.439 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -20.090 -3.468 -2.411 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -19.633 -5.811 -3.820 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -17.902 -4.729 -0.040 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -19.247 -8.209 -3.310 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -17.519 -7.125 0.470 1.00 0.00 H new ATOM 0 HZ PHE A 57 -18.193 -8.864 -1.163 1.00 0.00 H new ATOM 829 N ARG A 58 -19.355 -1.145 -3.933 1.00 0.00 N ATOM 830 CA ARG A 58 -19.392 0.331 -4.107 1.00 0.00 C ATOM 831 C ARG A 58 -19.339 1.026 -2.748 1.00 0.00 C ATOM 832 O ARG A 58 -18.574 1.948 -2.543 1.00 0.00 O ATOM 833 CB ARG A 58 -20.721 0.617 -4.807 1.00 0.00 C ATOM 834 CG ARG A 58 -20.625 1.942 -5.564 1.00 0.00 C ATOM 835 CD ARG A 58 -21.737 2.881 -5.090 1.00 0.00 C ATOM 836 NE ARG A 58 -21.130 3.668 -3.981 1.00 0.00 N ATOM 837 CZ ARG A 58 -21.520 4.893 -3.759 1.00 0.00 C ATOM 838 NH1 ARG A 58 -21.280 5.823 -4.642 1.00 0.00 N ATOM 839 NH2 ARG A 58 -22.151 5.187 -2.655 1.00 0.00 N ATOM 0 H ARG A 58 -20.259 -1.612 -4.007 1.00 0.00 H new ATOM 0 HA ARG A 58 -18.543 0.699 -4.683 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -20.962 -0.192 -5.497 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -21.527 0.662 -4.075 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -19.651 2.400 -5.395 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -20.714 1.768 -6.636 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -22.075 3.532 -5.897 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -22.607 2.321 -4.747 1.00 0.00 H new ATOM 0 HE ARG A 58 -20.409 3.249 -3.394 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -20.788 5.592 -5.505 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -21.585 6.781 -4.469 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -22.339 4.459 -1.966 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -22.456 6.145 -2.481 1.00 0.00 H new ATOM 853 N HIS A 59 -20.135 0.587 -1.814 1.00 0.00 N ATOM 854 CA HIS A 59 -20.112 1.222 -0.468 1.00 0.00 C ATOM 855 C HIS A 59 -18.665 1.342 0.020 1.00 0.00 C ATOM 856 O HIS A 59 -18.352 2.141 0.879 1.00 0.00 O ATOM 857 CB HIS A 59 -20.905 0.276 0.433 1.00 0.00 C ATOM 858 CG HIS A 59 -21.610 1.070 1.498 1.00 0.00 C ATOM 859 ND1 HIS A 59 -21.748 0.606 2.797 1.00 0.00 N ATOM 860 CD2 HIS A 59 -22.223 2.299 1.472 1.00 0.00 C ATOM 861 CE1 HIS A 59 -22.419 1.541 3.493 1.00 0.00 C ATOM 862 NE2 HIS A 59 -22.733 2.594 2.734 1.00 0.00 N ATOM 0 H HIS A 59 -20.798 -0.181 -1.924 1.00 0.00 H new ATOM 0 HA HIS A 59 -20.538 2.225 -0.472 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -21.630 -0.284 -0.158 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -20.236 -0.453 0.891 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -22.298 2.939 0.605 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -22.673 1.451 4.539 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -23.238 3.434 3.018 1.00 0.00 H new ATOM 870 N GLU A 60 -17.780 0.552 -0.529 1.00 0.00 N ATOM 871 CA GLU A 60 -16.356 0.616 -0.108 1.00 0.00 C ATOM 872 C GLU A 60 -15.510 1.200 -1.239 1.00 0.00 C ATOM 873 O GLU A 60 -16.008 1.490 -2.309 1.00 0.00 O ATOM 874 CB GLU A 60 -15.966 -0.838 0.153 1.00 0.00 C ATOM 875 CG GLU A 60 -16.589 -1.310 1.469 1.00 0.00 C ATOM 876 CD GLU A 60 -16.098 -2.722 1.787 1.00 0.00 C ATOM 877 OE1 GLU A 60 -15.082 -3.113 1.238 1.00 0.00 O ATOM 878 OE2 GLU A 60 -16.746 -3.389 2.577 1.00 0.00 O ATOM 0 H GLU A 60 -17.986 -0.136 -1.253 1.00 0.00 H new ATOM 0 HA GLU A 60 -16.203 1.246 0.768 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -16.306 -1.469 -0.668 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -14.881 -0.931 0.199 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -16.319 -0.629 2.276 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -17.676 -1.300 1.393 1.00 0.00 H new ATOM 885 N TYR A 61 -14.234 1.362 -1.025 1.00 0.00 N ATOM 886 CA TYR A 61 -13.372 1.914 -2.108 1.00 0.00 C ATOM 887 C TYR A 61 -11.999 1.258 -2.076 1.00 0.00 C ATOM 888 O TYR A 61 -11.796 0.241 -1.448 1.00 0.00 O ATOM 889 CB TYR A 61 -13.253 3.419 -1.838 1.00 0.00 C ATOM 890 CG TYR A 61 -12.283 3.679 -0.703 1.00 0.00 C ATOM 891 CD1 TYR A 61 -12.566 3.200 0.580 1.00 0.00 C ATOM 892 CD2 TYR A 61 -11.108 4.409 -0.932 1.00 0.00 C ATOM 893 CE1 TYR A 61 -11.680 3.445 1.634 1.00 0.00 C ATOM 894 CE2 TYR A 61 -10.222 4.656 0.125 1.00 0.00 C ATOM 895 CZ TYR A 61 -10.508 4.174 1.407 1.00 0.00 C ATOM 896 OH TYR A 61 -9.634 4.417 2.447 1.00 0.00 O ATOM 0 H TYR A 61 -13.753 1.138 -0.154 1.00 0.00 H new ATOM 0 HA TYR A 61 -13.799 1.722 -3.092 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -12.914 3.930 -2.739 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -14.232 3.828 -1.589 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -13.472 2.639 0.757 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -10.886 4.780 -1.922 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -11.901 3.071 2.623 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -9.317 5.219 -0.050 1.00 0.00 H new ATOM 0 HH TYR A 61 -10.133 4.467 3.289 1.00 0.00 H new ATOM 906 N VAL A 62 -11.059 1.847 -2.749 1.00 0.00 N ATOM 907 CA VAL A 62 -9.683 1.283 -2.772 1.00 0.00 C ATOM 908 C VAL A 62 -8.689 2.374 -2.386 1.00 0.00 C ATOM 909 O VAL A 62 -8.310 3.184 -3.202 1.00 0.00 O ATOM 910 CB VAL A 62 -9.466 0.837 -4.220 1.00 0.00 C ATOM 911 CG1 VAL A 62 -7.981 0.556 -4.457 1.00 0.00 C ATOM 912 CG2 VAL A 62 -10.272 -0.437 -4.485 1.00 0.00 C ATOM 0 H VAL A 62 -11.183 2.703 -3.290 1.00 0.00 H new ATOM 0 HA VAL A 62 -9.547 0.456 -2.075 1.00 0.00 H new ATOM 0 HB VAL A 62 -9.796 1.627 -4.894 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -7.831 0.239 -5.489 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -7.405 1.462 -4.268 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -7.648 -0.233 -3.783 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -10.119 -0.757 -5.516 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -9.941 -1.224 -3.808 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -11.331 -0.238 -4.320 1.00 0.00 H new ATOM 922 N ASP A 63 -8.272 2.410 -1.145 1.00 0.00 N ATOM 923 CA ASP A 63 -7.310 3.467 -0.722 1.00 0.00 C ATOM 924 C ASP A 63 -6.136 3.516 -1.695 1.00 0.00 C ATOM 925 O ASP A 63 -5.140 2.843 -1.525 1.00 0.00 O ATOM 926 CB ASP A 63 -6.844 3.072 0.681 1.00 0.00 C ATOM 927 CG ASP A 63 -6.612 1.564 0.749 1.00 0.00 C ATOM 928 OD1 ASP A 63 -5.835 1.066 -0.048 1.00 0.00 O ATOM 929 OD2 ASP A 63 -7.220 0.931 1.597 1.00 0.00 O ATOM 0 H ASP A 63 -8.555 1.758 -0.413 1.00 0.00 H new ATOM 0 HA ASP A 63 -7.764 4.458 -0.717 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -5.924 3.601 0.930 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -7.591 3.367 1.418 1.00 0.00 H new ATOM 934 N THR A 64 -6.259 4.308 -2.721 1.00 0.00 N ATOM 935 CA THR A 64 -5.160 4.408 -3.726 1.00 0.00 C ATOM 936 C THR A 64 -3.796 4.440 -3.027 1.00 0.00 C ATOM 937 O THR A 64 -2.790 4.056 -3.591 1.00 0.00 O ATOM 938 CB THR A 64 -5.416 5.725 -4.460 1.00 0.00 C ATOM 939 OG1 THR A 64 -6.120 6.613 -3.602 1.00 0.00 O ATOM 940 CG2 THR A 64 -6.249 5.456 -5.715 1.00 0.00 C ATOM 0 H THR A 64 -7.073 4.892 -2.910 1.00 0.00 H new ATOM 0 HA THR A 64 -5.145 3.556 -4.405 1.00 0.00 H new ATOM 0 HB THR A 64 -4.465 6.174 -4.747 1.00 0.00 H new ATOM 0 HG1 THR A 64 -6.284 7.459 -4.070 1.00 0.00 H new ATOM 0 HG21 THR A 64 -6.432 6.394 -6.238 1.00 0.00 H new ATOM 0 HG22 THR A 64 -5.708 4.774 -6.371 1.00 0.00 H new ATOM 0 HG23 THR A 64 -7.201 5.008 -5.431 1.00 0.00 H new ATOM 948 N TYR A 65 -3.755 4.899 -1.807 1.00 0.00 N ATOM 949 CA TYR A 65 -2.458 4.964 -1.074 1.00 0.00 C ATOM 950 C TYR A 65 -1.916 3.559 -0.789 1.00 0.00 C ATOM 951 O TYR A 65 -0.763 3.269 -1.038 1.00 0.00 O ATOM 952 CB TYR A 65 -2.786 5.683 0.234 1.00 0.00 C ATOM 953 CG TYR A 65 -1.537 6.329 0.783 1.00 0.00 C ATOM 954 CD1 TYR A 65 -0.604 5.561 1.489 1.00 0.00 C ATOM 955 CD2 TYR A 65 -1.313 7.697 0.585 1.00 0.00 C ATOM 956 CE1 TYR A 65 0.554 6.160 1.998 1.00 0.00 C ATOM 957 CE2 TYR A 65 -0.154 8.296 1.094 1.00 0.00 C ATOM 958 CZ TYR A 65 0.779 7.528 1.800 1.00 0.00 C ATOM 959 OH TYR A 65 1.921 8.118 2.303 1.00 0.00 O ATOM 0 H TYR A 65 -4.565 5.233 -1.284 1.00 0.00 H new ATOM 0 HA TYR A 65 -1.690 5.479 -1.652 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -3.553 6.438 0.063 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -3.190 4.976 0.958 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -0.778 4.506 1.641 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -2.033 8.289 0.040 1.00 0.00 H new ATOM 0 HE1 TYR A 65 1.274 5.567 2.543 1.00 0.00 H new ATOM 0 HE2 TYR A 65 0.020 9.351 0.942 1.00 0.00 H new ATOM 0 HH TYR A 65 1.923 9.072 2.077 1.00 0.00 H new ATOM 969 N TYR A 66 -2.729 2.687 -0.254 1.00 0.00 N ATOM 970 CA TYR A 66 -2.238 1.311 0.058 1.00 0.00 C ATOM 971 C TYR A 66 -2.351 0.394 -1.163 1.00 0.00 C ATOM 972 O TYR A 66 -1.850 -0.716 -1.164 1.00 0.00 O ATOM 973 CB TYR A 66 -3.127 0.824 1.201 1.00 0.00 C ATOM 974 CG TYR A 66 -2.495 1.220 2.512 1.00 0.00 C ATOM 975 CD1 TYR A 66 -1.551 0.382 3.118 1.00 0.00 C ATOM 976 CD2 TYR A 66 -2.844 2.432 3.120 1.00 0.00 C ATOM 977 CE1 TYR A 66 -0.957 0.755 4.330 1.00 0.00 C ATOM 978 CE2 TYR A 66 -2.254 2.805 4.332 1.00 0.00 C ATOM 979 CZ TYR A 66 -1.309 1.967 4.938 1.00 0.00 C ATOM 980 OH TYR A 66 -0.726 2.335 6.132 1.00 0.00 O ATOM 0 H TYR A 66 -3.706 2.865 -0.020 1.00 0.00 H new ATOM 0 HA TYR A 66 -1.184 1.307 0.334 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -4.123 1.259 1.116 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -3.246 -0.258 1.151 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -1.281 -0.553 2.650 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -3.570 3.080 2.652 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -0.228 0.109 4.796 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -2.527 3.739 4.801 1.00 0.00 H new ATOM 0 HH TYR A 66 -1.081 3.203 6.415 1.00 0.00 H new ATOM 990 N SER A 67 -2.981 0.846 -2.212 1.00 0.00 N ATOM 991 CA SER A 67 -3.085 -0.010 -3.428 1.00 0.00 C ATOM 992 C SER A 67 -1.697 -0.556 -3.774 1.00 0.00 C ATOM 993 O SER A 67 -1.559 -1.565 -4.437 1.00 0.00 O ATOM 994 CB SER A 67 -3.589 0.922 -4.529 1.00 0.00 C ATOM 995 OG SER A 67 -2.577 1.871 -4.840 1.00 0.00 O ATOM 0 H SER A 67 -3.425 1.762 -2.281 1.00 0.00 H new ATOM 0 HA SER A 67 -3.751 -0.862 -3.293 1.00 0.00 H new ATOM 0 HB2 SER A 67 -3.850 0.347 -5.417 1.00 0.00 H new ATOM 0 HB3 SER A 67 -4.495 1.433 -4.203 1.00 0.00 H new ATOM 0 HG SER A 67 -2.479 2.500 -4.095 1.00 0.00 H new ATOM 1001 N ALA A 68 -0.666 0.115 -3.326 1.00 0.00 N ATOM 1002 CA ALA A 68 0.722 -0.344 -3.616 1.00 0.00 C ATOM 1003 C ALA A 68 1.003 -1.690 -2.939 1.00 0.00 C ATOM 1004 O ALA A 68 1.131 -2.705 -3.595 1.00 0.00 O ATOM 1005 CB ALA A 68 1.625 0.746 -3.038 1.00 0.00 C ATOM 0 H ALA A 68 -0.729 0.967 -2.768 1.00 0.00 H new ATOM 0 HA ALA A 68 0.887 -0.494 -4.683 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.669 0.483 -3.211 1.00 0.00 H new ATOM 0 HB2 ALA A 68 1.405 1.696 -3.524 1.00 0.00 H new ATOM 0 HB3 ALA A 68 1.446 0.836 -1.967 1.00 0.00 H new ATOM 1011 N VAL A 69 1.113 -1.714 -1.634 1.00 0.00 N ATOM 1012 CA VAL A 69 1.397 -3.010 -0.945 1.00 0.00 C ATOM 1013 C VAL A 69 0.467 -4.097 -1.481 1.00 0.00 C ATOM 1014 O VAL A 69 0.811 -5.262 -1.510 1.00 0.00 O ATOM 1015 CB VAL A 69 1.148 -2.759 0.549 1.00 0.00 C ATOM 1016 CG1 VAL A 69 -0.348 -2.628 0.832 1.00 0.00 C ATOM 1017 CG2 VAL A 69 1.707 -3.925 1.358 1.00 0.00 C ATOM 0 H VAL A 69 1.020 -0.903 -1.022 1.00 0.00 H new ATOM 0 HA VAL A 69 2.419 -3.349 -1.117 1.00 0.00 H new ATOM 0 HB VAL A 69 1.644 -1.831 0.833 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.503 -2.451 1.896 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.754 -1.793 0.262 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.855 -3.547 0.540 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.531 -3.749 2.419 1.00 0.00 H new ATOM 0 HG22 VAL A 69 1.211 -4.848 1.056 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.778 -4.013 1.177 1.00 0.00 H new ATOM 1027 N CYS A 70 -0.706 -3.725 -1.912 1.00 0.00 N ATOM 1028 CA CYS A 70 -1.652 -4.741 -2.452 1.00 0.00 C ATOM 1029 C CYS A 70 -1.074 -5.383 -3.717 1.00 0.00 C ATOM 1030 O CYS A 70 -1.094 -6.586 -3.879 1.00 0.00 O ATOM 1031 CB CYS A 70 -2.923 -3.960 -2.778 1.00 0.00 C ATOM 1032 SG CYS A 70 -4.241 -4.470 -1.649 1.00 0.00 S ATOM 0 H CYS A 70 -1.050 -2.765 -1.914 1.00 0.00 H new ATOM 0 HA CYS A 70 -1.840 -5.549 -1.745 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -2.741 -2.890 -2.683 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -3.221 -4.142 -3.810 1.00 0.00 H new ATOM 1037 N GLY A 71 -0.559 -4.587 -4.615 1.00 0.00 N ATOM 1038 CA GLY A 71 0.018 -5.152 -5.868 1.00 0.00 C ATOM 1039 C GLY A 71 -1.079 -5.276 -6.925 1.00 0.00 C ATOM 1040 O GLY A 71 -1.845 -4.360 -7.149 1.00 0.00 O ATOM 0 H GLY A 71 -0.513 -3.571 -4.535 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.819 -4.510 -6.234 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.458 -6.129 -5.670 1.00 0.00 H new ATOM 1044 N ARG A 72 -1.164 -6.403 -7.578 1.00 0.00 N ATOM 1045 CA ARG A 72 -2.215 -6.585 -8.620 1.00 0.00 C ATOM 1046 C ARG A 72 -3.603 -6.353 -8.015 1.00 0.00 C ATOM 1047 O ARG A 72 -4.518 -5.914 -8.684 1.00 0.00 O ATOM 1048 CB ARG A 72 -2.068 -8.034 -9.083 1.00 0.00 C ATOM 1049 CG ARG A 72 -1.210 -8.080 -10.349 1.00 0.00 C ATOM 1050 CD ARG A 72 -1.900 -7.288 -11.463 1.00 0.00 C ATOM 1051 NE ARG A 72 -1.169 -7.657 -12.706 1.00 0.00 N ATOM 1052 CZ ARG A 72 -1.791 -8.286 -13.666 1.00 0.00 C ATOM 1053 NH1 ARG A 72 -2.938 -7.841 -14.102 1.00 0.00 N ATOM 1054 NH2 ARG A 72 -1.264 -9.359 -14.191 1.00 0.00 N ATOM 0 H ARG A 72 -0.551 -7.206 -7.435 1.00 0.00 H new ATOM 0 HA ARG A 72 -2.105 -5.881 -9.445 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -1.608 -8.633 -8.297 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -3.049 -8.465 -9.280 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -0.224 -7.662 -10.148 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -1.060 -9.113 -10.662 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -2.957 -7.546 -11.535 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -1.846 -6.215 -11.277 1.00 0.00 H new ATOM 0 HE ARG A 72 -0.182 -7.418 -12.808 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -3.348 -7.002 -13.693 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -3.424 -8.333 -14.852 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -0.367 -9.705 -13.851 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -1.749 -9.851 -14.941 1.00 0.00 H new ATOM 1068 N TYR A 73 -3.764 -6.644 -6.753 1.00 0.00 N ATOM 1069 CA TYR A 73 -5.091 -6.440 -6.103 1.00 0.00 C ATOM 1070 C TYR A 73 -5.235 -4.988 -5.642 1.00 0.00 C ATOM 1071 O TYR A 73 -4.398 -4.152 -5.919 1.00 0.00 O ATOM 1072 CB TYR A 73 -5.090 -7.382 -4.900 1.00 0.00 C ATOM 1073 CG TYR A 73 -5.313 -8.801 -5.366 1.00 0.00 C ATOM 1074 CD1 TYR A 73 -4.416 -9.392 -6.263 1.00 0.00 C ATOM 1075 CD2 TYR A 73 -6.416 -9.525 -4.900 1.00 0.00 C ATOM 1076 CE1 TYR A 73 -4.623 -10.707 -6.696 1.00 0.00 C ATOM 1077 CE2 TYR A 73 -6.623 -10.840 -5.331 1.00 0.00 C ATOM 1078 CZ TYR A 73 -5.727 -11.432 -6.229 1.00 0.00 C ATOM 1079 OH TYR A 73 -5.932 -12.728 -6.655 1.00 0.00 O ATOM 0 H TYR A 73 -3.035 -7.014 -6.144 1.00 0.00 H new ATOM 0 HA TYR A 73 -5.919 -6.643 -6.782 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.141 -7.308 -4.369 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -5.872 -7.092 -4.198 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -3.564 -8.833 -6.621 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -7.108 -9.069 -4.207 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -3.932 -11.162 -7.390 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -7.474 -11.398 -4.971 1.00 0.00 H new ATOM 0 HH TYR A 73 -6.742 -13.086 -6.235 1.00 0.00 H new ATOM 1089 N PHE A 74 -6.288 -4.684 -4.934 1.00 0.00 N ATOM 1090 CA PHE A 74 -6.480 -3.289 -4.448 1.00 0.00 C ATOM 1091 C PHE A 74 -6.750 -3.290 -2.947 1.00 0.00 C ATOM 1092 O PHE A 74 -7.551 -4.057 -2.452 1.00 0.00 O ATOM 1093 CB PHE A 74 -7.710 -2.764 -5.187 1.00 0.00 C ATOM 1094 CG PHE A 74 -7.530 -2.932 -6.672 1.00 0.00 C ATOM 1095 CD1 PHE A 74 -7.614 -4.203 -7.244 1.00 0.00 C ATOM 1096 CD2 PHE A 74 -7.293 -1.813 -7.477 1.00 0.00 C ATOM 1097 CE1 PHE A 74 -7.462 -4.359 -8.625 1.00 0.00 C ATOM 1098 CE2 PHE A 74 -7.138 -1.967 -8.858 1.00 0.00 C ATOM 1099 CZ PHE A 74 -7.223 -3.241 -9.434 1.00 0.00 C ATOM 0 H PHE A 74 -7.023 -5.341 -4.671 1.00 0.00 H new ATOM 0 HA PHE A 74 -5.598 -2.675 -4.628 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -8.599 -3.301 -4.857 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -7.866 -1.712 -4.948 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -7.796 -5.065 -6.620 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -7.230 -0.831 -7.032 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -7.529 -5.342 -9.068 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -6.953 -1.104 -9.480 1.00 0.00 H new ATOM 0 HZ PHE A 74 -7.104 -3.361 -10.501 1.00 0.00 H new ATOM 1109 N CYS A 75 -6.109 -2.425 -2.217 1.00 0.00 N ATOM 1110 CA CYS A 75 -6.360 -2.377 -0.754 1.00 0.00 C ATOM 1111 C CYS A 75 -7.654 -1.605 -0.506 1.00 0.00 C ATOM 1112 O CYS A 75 -7.669 -0.390 -0.488 1.00 0.00 O ATOM 1113 CB CYS A 75 -5.160 -1.635 -0.162 1.00 0.00 C ATOM 1114 SG CYS A 75 -5.509 -1.209 1.561 1.00 0.00 S ATOM 0 H CYS A 75 -5.426 -1.753 -2.567 1.00 0.00 H new ATOM 0 HA CYS A 75 -6.469 -3.364 -0.305 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -4.268 -2.258 -0.221 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -4.956 -0.732 -0.738 1.00 0.00 H new ATOM 1119 N CYS A 76 -8.748 -2.292 -0.337 1.00 0.00 N ATOM 1120 CA CYS A 76 -10.029 -1.573 -0.116 1.00 0.00 C ATOM 1121 C CYS A 76 -10.136 -1.101 1.329 1.00 0.00 C ATOM 1122 O CYS A 76 -9.392 -1.518 2.195 1.00 0.00 O ATOM 1123 CB CYS A 76 -11.135 -2.578 -0.421 1.00 0.00 C ATOM 1124 SG CYS A 76 -11.041 -3.089 -2.154 1.00 0.00 S ATOM 0 H CYS A 76 -8.810 -3.310 -0.342 1.00 0.00 H new ATOM 0 HA CYS A 76 -10.100 -0.690 -0.751 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -11.038 -3.447 0.229 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -12.109 -2.134 -0.216 1.00 0.00 H new ATOM 1129 N ARG A 77 -11.065 -0.233 1.583 1.00 0.00 N ATOM 1130 CA ARG A 77 -11.253 0.291 2.962 1.00 0.00 C ATOM 1131 C ARG A 77 -12.651 0.894 3.097 1.00 0.00 C ATOM 1132 O ARG A 77 -13.411 0.943 2.148 1.00 0.00 O ATOM 1133 CB ARG A 77 -10.186 1.374 3.125 1.00 0.00 C ATOM 1134 CG ARG A 77 -8.985 0.802 3.881 1.00 0.00 C ATOM 1135 CD ARG A 77 -8.074 1.947 4.327 1.00 0.00 C ATOM 1136 NE ARG A 77 -8.814 2.621 5.430 1.00 0.00 N ATOM 1137 CZ ARG A 77 -8.204 3.491 6.188 1.00 0.00 C ATOM 1138 NH1 ARG A 77 -7.251 3.103 6.989 1.00 0.00 N ATOM 1139 NH2 ARG A 77 -8.551 4.748 6.146 1.00 0.00 N ATOM 0 H ARG A 77 -11.711 0.142 0.889 1.00 0.00 H new ATOM 0 HA ARG A 77 -11.159 -0.486 3.720 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -9.872 1.740 2.147 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -10.598 2.226 3.667 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -9.324 0.233 4.747 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -8.434 0.112 3.242 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -7.109 1.573 4.670 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -7.875 2.636 3.506 1.00 0.00 H new ATOM 0 HE ARG A 77 -9.797 2.403 5.593 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -6.982 2.120 7.023 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -6.774 3.783 7.581 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -9.298 5.050 5.521 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -8.075 5.429 6.738 1.00 0.00 H new ATOM 1153 N SER A 78 -12.994 1.356 4.265 1.00 0.00 N ATOM 1154 CA SER A 78 -14.343 1.959 4.456 1.00 0.00 C ATOM 1155 C SER A 78 -14.231 3.480 4.586 1.00 0.00 C ATOM 1156 O SER A 78 -13.795 3.996 5.596 1.00 0.00 O ATOM 1157 CB SER A 78 -14.875 1.345 5.750 1.00 0.00 C ATOM 1158 OG SER A 78 -16.282 1.538 5.818 1.00 0.00 O ATOM 0 H SER A 78 -12.401 1.343 5.095 1.00 0.00 H new ATOM 0 HA SER A 78 -15.005 1.763 3.612 1.00 0.00 H new ATOM 0 HB2 SER A 78 -14.640 0.281 5.785 1.00 0.00 H new ATOM 0 HB3 SER A 78 -14.391 1.806 6.611 1.00 0.00 H new ATOM 0 HG SER A 78 -16.627 1.144 6.646 1.00 0.00 H new ATOM 1164 N ARG A 79 -14.625 4.200 3.572 1.00 0.00 N ATOM 1165 CA ARG A 79 -14.543 5.687 3.634 1.00 0.00 C ATOM 1166 C ARG A 79 -15.446 6.217 4.751 1.00 0.00 C ATOM 1167 O ARG A 79 -16.651 6.221 4.560 1.00 0.00 O ATOM 1168 CB ARG A 79 -15.038 6.167 2.270 1.00 0.00 C ATOM 1169 CG ARG A 79 -14.896 7.686 2.180 1.00 0.00 C ATOM 1170 CD ARG A 79 -15.879 8.230 1.141 1.00 0.00 C ATOM 1171 NE ARG A 79 -15.041 9.013 0.192 1.00 0.00 N ATOM 1172 CZ ARG A 79 -15.459 9.225 -1.026 1.00 0.00 C ATOM 1173 NH1 ARG A 79 -16.714 9.512 -1.243 1.00 0.00 N ATOM 1174 NH2 ARG A 79 -14.625 9.149 -2.026 1.00 0.00 N ATOM 1175 OXT ARG A 79 -14.916 6.611 5.778 1.00 0.00 O ATOM 0 H ARG A 79 -15.001 3.823 2.702 1.00 0.00 H new ATOM 0 HA ARG A 79 -13.534 6.039 3.847 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -14.465 5.690 1.475 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -16.080 5.880 2.128 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -15.091 8.138 3.152 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -13.875 7.951 1.904 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -16.402 7.421 0.631 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -16.639 8.857 1.607 1.00 0.00 H new ATOM 0 HE ARG A 79 -14.140 9.384 0.494 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -17.366 9.570 -0.461 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -17.042 9.678 -2.194 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -13.645 8.924 -1.857 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -14.953 9.315 -2.977 1.00 0.00 H new TER 1189 ARG A 79