USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=17 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= -0.798 K(o=-0.8,f=-3.7!) USER MOD Single : A 1 ASN N :NH3+ -124:sc= -0.394 (180deg=-2.23!) USER MOD Single : A 8 TYR OH : rot 180:sc= -0.0265 USER MOD Single : A 12 THR OG1 : rot 12:sc= -1! USER MOD Single : A 16 SER OG : rot 180:sc= -0.0564 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.0439 USER MOD Single : A 34 ASN : amide:sc= -4.36! C(o=-4.4!,f=-3.6!) USER MOD Single : A 39 SER OG : rot -41:sc= 0.00347 USER MOD Single : A 40 SER OG : rot 44:sc= 0.808 USER MOD Single : A 42 ASN : amide:sc= -1.6 K(o=-1.6,f=-4.6!) USER MOD Single : A 43 HIS : no HD1:sc= -16.6! C(o=-17!,f=-17!) USER MOD Single : A 44 SER OG : rot 180:sc= 0.138 USER MOD Single : A 48 ASN : amide:sc= -0.0233 X(o=-0.023,f=-0.5) USER MOD Single : A 54 SER OG : rot 4:sc= 0.995 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 61 TYR OH : rot 173:sc= -0.345 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.0576 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 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0.00413 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 13.507 9.632 -10.810 1.00 0.00 N ATOM 2 CA ASN A 1 13.972 9.163 -9.472 1.00 0.00 C ATOM 3 C ASN A 1 12.809 8.539 -8.697 1.00 0.00 C ATOM 4 O ASN A 1 12.340 9.095 -7.725 1.00 0.00 O ATOM 5 CB ASN A 1 14.475 10.421 -8.764 1.00 0.00 C ATOM 6 CG ASN A 1 14.997 10.051 -7.376 1.00 0.00 C ATOM 7 OD1 ASN A 1 14.971 8.899 -6.991 1.00 0.00 O ATOM 8 ND2 ASN A 1 15.472 10.987 -6.600 1.00 0.00 N ATOM 0 H1 ASN A 1 14.084 9.189 -11.553 1.00 0.00 H new ATOM 0 H2 ASN A 1 12.510 9.368 -10.943 1.00 0.00 H new ATOM 0 H3 ASN A 1 13.602 10.666 -10.868 1.00 0.00 H new ATOM 0 HA ASN A 1 14.748 8.401 -9.548 1.00 0.00 H new ATOM 0 HB2 ASN A 1 15.267 10.888 -9.349 1.00 0.00 H new ATOM 0 HB3 ASN A 1 13.669 11.150 -8.679 1.00 0.00 H new ATOM 0 HD21 ASN A 1 15.821 10.751 -5.671 1.00 0.00 H new ATOM 0 HD22 ASN A 1 15.494 11.954 -6.923 1.00 0.00 H new ATOM 17 N PRO A 2 12.383 7.396 -9.161 1.00 0.00 N ATOM 18 CA PRO A 2 11.260 6.680 -8.508 1.00 0.00 C ATOM 19 C PRO A 2 11.716 6.064 -7.182 1.00 0.00 C ATOM 20 O PRO A 2 12.337 5.021 -7.152 1.00 0.00 O ATOM 21 CB PRO A 2 10.895 5.593 -9.515 1.00 0.00 C ATOM 22 CG PRO A 2 12.141 5.369 -10.315 1.00 0.00 C ATOM 23 CD PRO A 2 12.900 6.671 -10.325 1.00 0.00 C ATOM 0 HA PRO A 2 10.420 7.331 -8.267 1.00 0.00 H new ATOM 0 HB2 PRO A 2 10.580 4.679 -9.012 1.00 0.00 H new ATOM 0 HB3 PRO A 2 10.068 5.907 -10.152 1.00 0.00 H new ATOM 0 HG2 PRO A 2 12.744 4.575 -9.875 1.00 0.00 H new ATOM 0 HG3 PRO A 2 11.896 5.058 -11.331 1.00 0.00 H new ATOM 0 HD2 PRO A 2 13.975 6.506 -10.247 1.00 0.00 H new ATOM 0 HD3 PRO A 2 12.729 7.225 -11.248 1.00 0.00 H new ATOM 31 N LEU A 3 11.411 6.702 -6.085 1.00 0.00 N ATOM 32 CA LEU A 3 11.826 6.154 -4.762 1.00 0.00 C ATOM 33 C LEU A 3 10.705 5.295 -4.170 1.00 0.00 C ATOM 34 O LEU A 3 9.544 5.470 -4.483 1.00 0.00 O ATOM 35 CB LEU A 3 12.080 7.381 -3.885 1.00 0.00 C ATOM 36 CG LEU A 3 13.232 7.090 -2.922 1.00 0.00 C ATOM 37 CD1 LEU A 3 14.045 8.366 -2.701 1.00 0.00 C ATOM 38 CD2 LEU A 3 12.667 6.608 -1.584 1.00 0.00 C ATOM 0 H LEU A 3 10.892 7.579 -6.048 1.00 0.00 H new ATOM 0 HA LEU A 3 12.708 5.518 -4.838 1.00 0.00 H new ATOM 0 HB2 LEU A 3 12.321 8.243 -4.508 1.00 0.00 H new ATOM 0 HB3 LEU A 3 11.179 7.634 -3.326 1.00 0.00 H new ATOM 0 HG LEU A 3 13.875 6.318 -3.345 1.00 0.00 H new ATOM 0 HD11 LEU A 3 14.866 8.160 -2.015 1.00 0.00 H new ATOM 0 HD12 LEU A 3 14.446 8.711 -3.654 1.00 0.00 H new ATOM 0 HD13 LEU A 3 13.403 9.138 -2.277 1.00 0.00 H new ATOM 0 HD21 LEU A 3 13.487 6.400 -0.897 1.00 0.00 H new ATOM 0 HD22 LEU A 3 12.025 7.381 -1.160 1.00 0.00 H new ATOM 0 HD23 LEU A 3 12.086 5.699 -1.741 1.00 0.00 H new ATOM 50 N ILE A 4 11.045 4.369 -3.316 1.00 0.00 N ATOM 51 CA ILE A 4 10.000 3.501 -2.702 1.00 0.00 C ATOM 52 C ILE A 4 8.921 4.357 -2.038 1.00 0.00 C ATOM 53 O ILE A 4 9.208 5.394 -1.471 1.00 0.00 O ATOM 54 CB ILE A 4 10.743 2.667 -1.649 1.00 0.00 C ATOM 55 CG1 ILE A 4 11.317 1.411 -2.309 1.00 0.00 C ATOM 56 CG2 ILE A 4 9.779 2.257 -0.525 1.00 0.00 C ATOM 57 CD1 ILE A 4 10.181 0.443 -2.641 1.00 0.00 C ATOM 0 H ILE A 4 12.001 4.176 -3.017 1.00 0.00 H new ATOM 0 HA ILE A 4 9.500 2.876 -3.442 1.00 0.00 H new ATOM 0 HB ILE A 4 11.551 3.264 -1.226 1.00 0.00 H new ATOM 0 HG12 ILE A 4 11.857 1.679 -3.217 1.00 0.00 H new ATOM 0 HG13 ILE A 4 12.033 0.932 -1.642 1.00 0.00 H new ATOM 0 HG21 ILE A 4 10.316 1.666 0.217 1.00 0.00 H new ATOM 0 HG22 ILE A 4 9.371 3.150 -0.051 1.00 0.00 H new ATOM 0 HG23 ILE A 4 8.965 1.664 -0.942 1.00 0.00 H new ATOM 0 HD11 ILE A 4 10.591 -0.451 -3.111 1.00 0.00 H new ATOM 0 HD12 ILE A 4 9.660 0.165 -1.725 1.00 0.00 H new ATOM 0 HD13 ILE A 4 9.481 0.924 -3.324 1.00 0.00 H new ATOM 69 N PRO A 5 7.713 3.875 -2.110 1.00 0.00 N ATOM 70 CA PRO A 5 6.580 4.585 -1.485 1.00 0.00 C ATOM 71 C PRO A 5 6.597 4.359 0.028 1.00 0.00 C ATOM 72 O PRO A 5 7.251 3.466 0.528 1.00 0.00 O ATOM 73 CB PRO A 5 5.353 3.937 -2.113 1.00 0.00 C ATOM 74 CG PRO A 5 5.802 2.575 -2.539 1.00 0.00 C ATOM 75 CD PRO A 5 7.291 2.641 -2.780 1.00 0.00 C ATOM 0 HA PRO A 5 6.607 5.663 -1.642 1.00 0.00 H new ATOM 0 HB2 PRO A 5 4.532 3.875 -1.399 1.00 0.00 H new ATOM 0 HB3 PRO A 5 4.993 4.517 -2.963 1.00 0.00 H new ATOM 0 HG2 PRO A 5 5.571 1.838 -1.770 1.00 0.00 H new ATOM 0 HG3 PRO A 5 5.281 2.266 -3.445 1.00 0.00 H new ATOM 0 HD2 PRO A 5 7.800 1.770 -2.367 1.00 0.00 H new ATOM 0 HD3 PRO A 5 7.521 2.668 -3.845 1.00 0.00 H new ATOM 83 N ALA A 6 5.882 5.162 0.753 1.00 0.00 N ATOM 84 CA ALA A 6 5.847 5.009 2.233 1.00 0.00 C ATOM 85 C ALA A 6 4.882 3.886 2.629 1.00 0.00 C ATOM 86 O ALA A 6 4.977 3.322 3.700 1.00 0.00 O ATOM 87 CB ALA A 6 5.349 6.355 2.759 1.00 0.00 C ATOM 0 H ALA A 6 5.314 5.925 0.384 1.00 0.00 H new ATOM 0 HA ALA A 6 6.822 4.747 2.643 1.00 0.00 H new ATOM 0 HB1 ALA A 6 5.295 6.323 3.847 1.00 0.00 H new ATOM 0 HB2 ALA A 6 6.037 7.143 2.453 1.00 0.00 H new ATOM 0 HB3 ALA A 6 4.359 6.561 2.353 1.00 0.00 H new ATOM 93 N ILE A 7 3.950 3.566 1.774 1.00 0.00 N ATOM 94 CA ILE A 7 2.973 2.486 2.101 1.00 0.00 C ATOM 95 C ILE A 7 3.696 1.211 2.551 1.00 0.00 C ATOM 96 O ILE A 7 3.435 0.685 3.614 1.00 0.00 O ATOM 97 CB ILE A 7 2.181 2.244 0.806 1.00 0.00 C ATOM 98 CG1 ILE A 7 1.499 0.874 0.869 1.00 0.00 C ATOM 99 CG2 ILE A 7 3.113 2.284 -0.411 1.00 0.00 C ATOM 100 CD1 ILE A 7 0.743 0.740 2.191 1.00 0.00 C ATOM 0 H ILE A 7 3.822 4.005 0.862 1.00 0.00 H new ATOM 0 HA ILE A 7 2.318 2.771 2.924 1.00 0.00 H new ATOM 0 HB ILE A 7 1.432 3.030 0.707 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.811 0.760 0.031 1.00 0.00 H new ATOM 0 HG13 ILE A 7 2.242 0.082 0.781 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.534 2.111 -1.318 1.00 0.00 H new ATOM 0 HG22 ILE A 7 3.594 3.260 -0.469 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.874 1.510 -0.312 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.258 -0.235 2.235 1.00 0.00 H new ATOM 0 HD12 ILE A 7 1.443 0.835 3.021 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.011 1.524 2.260 1.00 0.00 H new ATOM 112 N TYR A 8 4.593 0.707 1.755 1.00 0.00 N ATOM 113 CA TYR A 8 5.318 -0.535 2.144 1.00 0.00 C ATOM 114 C TYR A 8 5.834 -0.410 3.576 1.00 0.00 C ATOM 115 O TYR A 8 5.933 -1.383 4.297 1.00 0.00 O ATOM 116 CB TYR A 8 6.476 -0.648 1.155 1.00 0.00 C ATOM 117 CG TYR A 8 5.923 -0.789 -0.242 1.00 0.00 C ATOM 118 CD1 TYR A 8 4.747 -1.516 -0.462 1.00 0.00 C ATOM 119 CD2 TYR A 8 6.584 -0.187 -1.318 1.00 0.00 C ATOM 120 CE1 TYR A 8 4.231 -1.641 -1.757 1.00 0.00 C ATOM 121 CE2 TYR A 8 6.069 -0.311 -2.615 1.00 0.00 C ATOM 122 CZ TYR A 8 4.892 -1.038 -2.833 1.00 0.00 C ATOM 123 OH TYR A 8 4.384 -1.161 -4.111 1.00 0.00 O ATOM 0 H TYR A 8 4.857 1.100 0.851 1.00 0.00 H new ATOM 0 HA TYR A 8 4.679 -1.417 2.114 1.00 0.00 H new ATOM 0 HB2 TYR A 8 7.113 0.234 1.220 1.00 0.00 H new ATOM 0 HB3 TYR A 8 7.098 -1.509 1.401 1.00 0.00 H new ATOM 0 HD1 TYR A 8 4.237 -1.981 0.369 1.00 0.00 H new ATOM 0 HD2 TYR A 8 7.492 0.373 -1.149 1.00 0.00 H new ATOM 0 HE1 TYR A 8 3.324 -2.202 -1.926 1.00 0.00 H new ATOM 0 HE2 TYR A 8 6.579 0.154 -3.446 1.00 0.00 H new ATOM 0 HH TYR A 8 4.963 -0.682 -4.741 1.00 0.00 H new ATOM 133 N ILE A 9 6.150 0.780 4.001 1.00 0.00 N ATOM 134 CA ILE A 9 6.643 0.957 5.394 1.00 0.00 C ATOM 135 C ILE A 9 5.507 0.669 6.376 1.00 0.00 C ATOM 136 O ILE A 9 4.388 1.102 6.186 1.00 0.00 O ATOM 137 CB ILE A 9 7.085 2.418 5.489 1.00 0.00 C ATOM 138 CG1 ILE A 9 8.114 2.712 4.396 1.00 0.00 C ATOM 139 CG2 ILE A 9 7.715 2.671 6.860 1.00 0.00 C ATOM 140 CD1 ILE A 9 8.351 4.222 4.312 1.00 0.00 C ATOM 0 H ILE A 9 6.089 1.634 3.447 1.00 0.00 H new ATOM 0 HA ILE A 9 7.463 0.281 5.636 1.00 0.00 H new ATOM 0 HB ILE A 9 6.220 3.068 5.359 1.00 0.00 H new ATOM 0 HG12 ILE A 9 9.050 2.198 4.615 1.00 0.00 H new ATOM 0 HG13 ILE A 9 7.760 2.335 3.437 1.00 0.00 H new ATOM 0 HG21 ILE A 9 8.030 3.712 6.929 1.00 0.00 H new ATOM 0 HG22 ILE A 9 6.984 2.461 7.641 1.00 0.00 H new ATOM 0 HG23 ILE A 9 8.580 2.020 6.989 1.00 0.00 H new ATOM 0 HD11 ILE A 9 9.084 4.432 3.533 1.00 0.00 H new ATOM 0 HD12 ILE A 9 7.414 4.725 4.073 1.00 0.00 H new ATOM 0 HD13 ILE A 9 8.724 4.586 5.269 1.00 0.00 H new ATOM 152 N GLY A 10 5.779 -0.070 7.414 1.00 0.00 N ATOM 153 CA GLY A 10 4.702 -0.393 8.387 1.00 0.00 C ATOM 154 C GLY A 10 3.535 -1.019 7.628 1.00 0.00 C ATOM 155 O GLY A 10 2.384 -0.833 7.968 1.00 0.00 O ATOM 0 H GLY A 10 6.696 -0.462 7.630 1.00 0.00 H new ATOM 0 HA2 GLY A 10 5.072 -1.081 9.147 1.00 0.00 H new ATOM 0 HA3 GLY A 10 4.377 0.509 8.905 1.00 0.00 H new ATOM 159 N ALA A 11 3.830 -1.757 6.591 1.00 0.00 N ATOM 160 CA ALA A 11 2.738 -2.395 5.792 1.00 0.00 C ATOM 161 C ALA A 11 2.966 -3.903 5.686 1.00 0.00 C ATOM 162 O ALA A 11 3.686 -4.486 6.471 1.00 0.00 O ATOM 163 CB ALA A 11 2.823 -1.742 4.413 1.00 0.00 C ATOM 0 H ALA A 11 4.777 -1.947 6.262 1.00 0.00 H new ATOM 0 HA ALA A 11 1.759 -2.256 6.250 1.00 0.00 H new ATOM 0 HB1 ALA A 11 2.051 -2.158 3.765 1.00 0.00 H new ATOM 0 HB2 ALA A 11 2.674 -0.667 4.510 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.804 -1.935 3.979 1.00 0.00 H new ATOM 169 N THR A 12 2.355 -4.543 4.725 1.00 0.00 N ATOM 170 CA THR A 12 2.544 -6.019 4.584 1.00 0.00 C ATOM 171 C THR A 12 2.289 -6.455 3.140 1.00 0.00 C ATOM 172 O THR A 12 1.176 -6.745 2.766 1.00 0.00 O ATOM 173 CB THR A 12 1.505 -6.644 5.519 1.00 0.00 C ATOM 174 OG1 THR A 12 1.950 -6.531 6.863 1.00 0.00 O ATOM 175 CG2 THR A 12 1.314 -8.120 5.164 1.00 0.00 C ATOM 0 H THR A 12 1.738 -4.113 4.036 1.00 0.00 H new ATOM 0 HA THR A 12 3.559 -6.327 4.834 1.00 0.00 H new ATOM 0 HB THR A 12 0.555 -6.122 5.405 1.00 0.00 H new ATOM 0 HG1 THR A 12 2.712 -5.917 6.905 1.00 0.00 H new ATOM 0 HG21 THR A 12 0.574 -8.562 5.831 1.00 0.00 H new ATOM 0 HG22 THR A 12 0.970 -8.205 4.133 1.00 0.00 H new ATOM 0 HG23 THR A 12 2.262 -8.646 5.274 1.00 0.00 H new ATOM 183 N VAL A 13 3.307 -6.513 2.328 1.00 0.00 N ATOM 184 CA VAL A 13 3.100 -6.938 0.912 1.00 0.00 C ATOM 185 C VAL A 13 3.107 -8.466 0.810 1.00 0.00 C ATOM 186 O VAL A 13 2.690 -9.162 1.715 1.00 0.00 O ATOM 187 CB VAL A 13 4.280 -6.339 0.138 1.00 0.00 C ATOM 188 CG1 VAL A 13 4.510 -4.895 0.584 1.00 0.00 C ATOM 189 CG2 VAL A 13 5.544 -7.160 0.412 1.00 0.00 C ATOM 0 H VAL A 13 4.269 -6.286 2.580 1.00 0.00 H new ATOM 0 HA VAL A 13 2.142 -6.600 0.516 1.00 0.00 H new ATOM 0 HB VAL A 13 4.055 -6.359 -0.928 1.00 0.00 H new ATOM 0 HG11 VAL A 13 5.349 -4.473 0.032 1.00 0.00 H new ATOM 0 HG12 VAL A 13 3.614 -4.306 0.388 1.00 0.00 H new ATOM 0 HG13 VAL A 13 4.731 -4.875 1.651 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.382 -6.733 -0.139 1.00 0.00 H new ATOM 0 HG22 VAL A 13 5.765 -7.143 1.479 1.00 0.00 H new ATOM 0 HG23 VAL A 13 5.386 -8.190 0.091 1.00 0.00 H new ATOM 199 N GLY A 14 3.578 -8.993 -0.288 1.00 0.00 N ATOM 200 CA GLY A 14 3.613 -10.473 -0.451 1.00 0.00 C ATOM 201 C GLY A 14 5.036 -10.915 -0.796 1.00 0.00 C ATOM 202 O GLY A 14 5.981 -10.187 -0.575 1.00 0.00 O ATOM 0 H GLY A 14 3.940 -8.461 -1.079 1.00 0.00 H new ATOM 0 HA2 GLY A 14 3.283 -10.959 0.467 1.00 0.00 H new ATOM 0 HA3 GLY A 14 2.925 -10.779 -1.239 1.00 0.00 H new ATOM 206 N PRO A 15 5.138 -12.100 -1.330 1.00 0.00 N ATOM 207 CA PRO A 15 6.462 -12.652 -1.712 1.00 0.00 C ATOM 208 C PRO A 15 6.994 -11.953 -2.967 1.00 0.00 C ATOM 209 O PRO A 15 8.137 -11.544 -3.022 1.00 0.00 O ATOM 210 CB PRO A 15 6.166 -14.123 -1.992 1.00 0.00 C ATOM 211 CG PRO A 15 4.715 -14.168 -2.351 1.00 0.00 C ATOM 212 CD PRO A 15 4.043 -13.030 -1.625 1.00 0.00 C ATOM 0 HA PRO A 15 7.223 -12.512 -0.944 1.00 0.00 H new ATOM 0 HB2 PRO A 15 6.785 -14.502 -2.805 1.00 0.00 H new ATOM 0 HB3 PRO A 15 6.375 -14.740 -1.118 1.00 0.00 H new ATOM 0 HG2 PRO A 15 4.582 -14.070 -3.428 1.00 0.00 H new ATOM 0 HG3 PRO A 15 4.276 -15.123 -2.061 1.00 0.00 H new ATOM 0 HD2 PRO A 15 3.276 -12.561 -2.242 1.00 0.00 H new ATOM 0 HD3 PRO A 15 3.554 -13.372 -0.713 1.00 0.00 H new ATOM 220 N SER A 16 6.176 -11.813 -3.974 1.00 0.00 N ATOM 221 CA SER A 16 6.638 -11.142 -5.223 1.00 0.00 C ATOM 222 C SER A 16 6.890 -9.653 -4.965 1.00 0.00 C ATOM 223 O SER A 16 7.967 -9.145 -5.211 1.00 0.00 O ATOM 224 CB SER A 16 5.493 -11.327 -6.217 1.00 0.00 C ATOM 225 OG SER A 16 5.282 -10.110 -6.922 1.00 0.00 O ATOM 0 H SER A 16 5.208 -12.134 -3.986 1.00 0.00 H new ATOM 0 HA SER A 16 7.573 -11.561 -5.594 1.00 0.00 H new ATOM 0 HB2 SER A 16 5.729 -12.129 -6.916 1.00 0.00 H new ATOM 0 HB3 SER A 16 4.584 -11.619 -5.692 1.00 0.00 H new ATOM 0 HG SER A 16 4.549 -10.226 -7.562 1.00 0.00 H new ATOM 231 N VAL A 17 5.908 -8.951 -4.471 1.00 0.00 N ATOM 232 CA VAL A 17 6.097 -7.498 -4.200 1.00 0.00 C ATOM 233 C VAL A 17 7.326 -7.286 -3.316 1.00 0.00 C ATOM 234 O VAL A 17 8.089 -6.363 -3.511 1.00 0.00 O ATOM 235 CB VAL A 17 4.827 -7.058 -3.473 1.00 0.00 C ATOM 236 CG1 VAL A 17 5.006 -5.629 -2.955 1.00 0.00 C ATOM 237 CG2 VAL A 17 3.642 -7.102 -4.442 1.00 0.00 C ATOM 0 H VAL A 17 4.985 -9.320 -4.244 1.00 0.00 H new ATOM 0 HA VAL A 17 6.258 -6.924 -5.113 1.00 0.00 H new ATOM 0 HB VAL A 17 4.637 -7.729 -2.635 1.00 0.00 H new ATOM 0 HG11 VAL A 17 4.101 -5.314 -2.436 1.00 0.00 H new ATOM 0 HG12 VAL A 17 5.850 -5.595 -2.266 1.00 0.00 H new ATOM 0 HG13 VAL A 17 5.195 -4.959 -3.794 1.00 0.00 H new ATOM 0 HG21 VAL A 17 2.736 -6.788 -3.923 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.832 -6.431 -5.280 1.00 0.00 H new ATOM 0 HG23 VAL A 17 3.514 -8.119 -4.814 1.00 0.00 H new ATOM 247 N TRP A 18 7.527 -8.138 -2.349 1.00 0.00 N ATOM 248 CA TRP A 18 8.716 -7.981 -1.464 1.00 0.00 C ATOM 249 C TRP A 18 9.986 -7.960 -2.311 1.00 0.00 C ATOM 250 O TRP A 18 10.716 -6.990 -2.335 1.00 0.00 O ATOM 251 CB TRP A 18 8.705 -9.208 -0.554 1.00 0.00 C ATOM 252 CG TRP A 18 9.830 -9.109 0.426 1.00 0.00 C ATOM 253 CD1 TRP A 18 10.073 -8.043 1.223 1.00 0.00 C ATOM 254 CD2 TRP A 18 10.865 -10.091 0.728 1.00 0.00 C ATOM 255 NE1 TRP A 18 11.191 -8.307 1.993 1.00 0.00 N ATOM 256 CE2 TRP A 18 11.715 -9.556 1.725 1.00 0.00 C ATOM 257 CE3 TRP A 18 11.146 -11.379 0.239 1.00 0.00 C ATOM 258 CZ2 TRP A 18 12.804 -10.273 2.219 1.00 0.00 C ATOM 259 CZ3 TRP A 18 12.243 -12.104 0.733 1.00 0.00 C ATOM 260 CH2 TRP A 18 13.070 -11.552 1.722 1.00 0.00 C ATOM 0 H TRP A 18 6.924 -8.932 -2.134 1.00 0.00 H new ATOM 0 HA TRP A 18 8.688 -7.054 -0.891 1.00 0.00 H new ATOM 0 HB2 TRP A 18 7.753 -9.275 -0.027 1.00 0.00 H new ATOM 0 HB3 TRP A 18 8.805 -10.116 -1.148 1.00 0.00 H new ATOM 0 HD1 TRP A 18 9.489 -7.135 1.253 1.00 0.00 H new ATOM 0 HE1 TRP A 18 11.581 -7.658 2.676 1.00 0.00 H new ATOM 0 HE3 TRP A 18 10.514 -11.814 -0.521 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 13.438 -9.843 2.981 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 12.451 -13.092 0.349 1.00 0.00 H new ATOM 0 HH2 TRP A 18 13.911 -12.114 2.099 1.00 0.00 H new ATOM 271 N ALA A 19 10.252 -9.028 -3.011 1.00 0.00 N ATOM 272 CA ALA A 19 11.473 -9.077 -3.863 1.00 0.00 C ATOM 273 C ALA A 19 11.638 -7.762 -4.629 1.00 0.00 C ATOM 274 O ALA A 19 12.734 -7.270 -4.805 1.00 0.00 O ATOM 275 CB ALA A 19 11.235 -10.236 -4.831 1.00 0.00 C ATOM 0 H ALA A 19 9.676 -9.870 -3.030 1.00 0.00 H new ATOM 0 HA ALA A 19 12.380 -9.217 -3.276 1.00 0.00 H new ATOM 0 HB1 ALA A 19 12.093 -10.338 -5.495 1.00 0.00 H new ATOM 0 HB2 ALA A 19 11.101 -11.159 -4.267 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.341 -10.039 -5.422 1.00 0.00 H new ATOM 281 N TYR A 20 10.558 -7.191 -5.084 1.00 0.00 N ATOM 282 CA TYR A 20 10.659 -5.908 -5.836 1.00 0.00 C ATOM 283 C TYR A 20 11.151 -4.791 -4.914 1.00 0.00 C ATOM 284 O TYR A 20 12.004 -4.002 -5.272 1.00 0.00 O ATOM 285 CB TYR A 20 9.239 -5.614 -6.317 1.00 0.00 C ATOM 286 CG TYR A 20 9.298 -4.731 -7.541 1.00 0.00 C ATOM 287 CD1 TYR A 20 10.034 -5.138 -8.661 1.00 0.00 C ATOM 288 CD2 TYR A 20 8.620 -3.507 -7.555 1.00 0.00 C ATOM 289 CE1 TYR A 20 10.092 -4.319 -9.795 1.00 0.00 C ATOM 290 CE2 TYR A 20 8.678 -2.688 -8.689 1.00 0.00 C ATOM 291 CZ TYR A 20 9.414 -3.094 -9.809 1.00 0.00 C ATOM 292 OH TYR A 20 9.472 -2.287 -10.927 1.00 0.00 O ATOM 0 H TYR A 20 9.612 -7.555 -4.969 1.00 0.00 H new ATOM 0 HA TYR A 20 11.365 -5.973 -6.664 1.00 0.00 H new ATOM 0 HB2 TYR A 20 8.722 -6.545 -6.551 1.00 0.00 H new ATOM 0 HB3 TYR A 20 8.670 -5.123 -5.528 1.00 0.00 H new ATOM 0 HD1 TYR A 20 10.557 -6.083 -8.650 1.00 0.00 H new ATOM 0 HD2 TYR A 20 8.052 -3.194 -6.691 1.00 0.00 H new ATOM 0 HE1 TYR A 20 10.660 -4.632 -10.659 1.00 0.00 H new ATOM 0 HE2 TYR A 20 8.155 -1.743 -8.700 1.00 0.00 H new ATOM 0 HH TYR A 20 8.946 -1.475 -10.772 1.00 0.00 H new ATOM 302 N LEU A 21 10.618 -4.718 -3.727 1.00 0.00 N ATOM 303 CA LEU A 21 11.048 -3.655 -2.777 1.00 0.00 C ATOM 304 C LEU A 21 12.515 -3.854 -2.387 1.00 0.00 C ATOM 305 O LEU A 21 13.213 -2.915 -2.064 1.00 0.00 O ATOM 306 CB LEU A 21 10.138 -3.831 -1.562 1.00 0.00 C ATOM 307 CG LEU A 21 9.879 -2.472 -0.911 1.00 0.00 C ATOM 308 CD1 LEU A 21 8.946 -2.649 0.286 1.00 0.00 C ATOM 309 CD2 LEU A 21 11.205 -1.872 -0.440 1.00 0.00 C ATOM 0 H LEU A 21 9.901 -5.351 -3.373 1.00 0.00 H new ATOM 0 HA LEU A 21 10.971 -2.656 -3.206 1.00 0.00 H new ATOM 0 HB2 LEU A 21 9.195 -4.286 -1.865 1.00 0.00 H new ATOM 0 HB3 LEU A 21 10.601 -4.507 -0.843 1.00 0.00 H new ATOM 0 HG LEU A 21 9.415 -1.804 -1.637 1.00 0.00 H new ATOM 0 HD11 LEU A 21 8.762 -1.680 0.750 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.001 -3.077 -0.049 1.00 0.00 H new ATOM 0 HD13 LEU A 21 9.409 -3.317 1.012 1.00 0.00 H new ATOM 0 HD21 LEU A 21 11.021 -0.903 0.024 1.00 0.00 H new ATOM 0 HD22 LEU A 21 11.669 -2.540 0.286 1.00 0.00 H new ATOM 0 HD23 LEU A 21 11.871 -1.745 -1.294 1.00 0.00 H new ATOM 321 N VAL A 22 12.988 -5.069 -2.416 1.00 0.00 N ATOM 322 CA VAL A 22 14.410 -5.324 -2.047 1.00 0.00 C ATOM 323 C VAL A 22 15.342 -4.793 -3.135 1.00 0.00 C ATOM 324 O VAL A 22 16.363 -4.197 -2.858 1.00 0.00 O ATOM 325 CB VAL A 22 14.526 -6.843 -1.935 1.00 0.00 C ATOM 326 CG1 VAL A 22 15.984 -7.226 -1.680 1.00 0.00 C ATOM 327 CG2 VAL A 22 13.660 -7.335 -0.773 1.00 0.00 C ATOM 0 H VAL A 22 12.452 -5.896 -2.679 1.00 0.00 H new ATOM 0 HA VAL A 22 14.690 -4.826 -1.119 1.00 0.00 H new ATOM 0 HB VAL A 22 14.187 -7.303 -2.863 1.00 0.00 H new ATOM 0 HG11 VAL A 22 16.067 -8.310 -1.600 1.00 0.00 H new ATOM 0 HG12 VAL A 22 16.602 -6.875 -2.506 1.00 0.00 H new ATOM 0 HG13 VAL A 22 16.324 -6.767 -0.752 1.00 0.00 H new ATOM 0 HG21 VAL A 22 13.742 -8.419 -0.692 1.00 0.00 H new ATOM 0 HG22 VAL A 22 14.000 -6.875 0.155 1.00 0.00 H new ATOM 0 HG23 VAL A 22 12.620 -7.062 -0.953 1.00 0.00 H new ATOM 337 N ALA A 23 14.999 -5.007 -4.371 1.00 0.00 N ATOM 338 CA ALA A 23 15.863 -4.517 -5.479 1.00 0.00 C ATOM 339 C ALA A 23 15.859 -2.986 -5.518 1.00 0.00 C ATOM 340 O ALA A 23 16.832 -2.362 -5.890 1.00 0.00 O ATOM 341 CB ALA A 23 15.236 -5.088 -6.750 1.00 0.00 C ATOM 0 H ALA A 23 14.156 -5.501 -4.664 1.00 0.00 H new ATOM 0 HA ALA A 23 16.901 -4.827 -5.361 1.00 0.00 H new ATOM 0 HB1 ALA A 23 15.817 -4.771 -7.616 1.00 0.00 H new ATOM 0 HB2 ALA A 23 15.230 -6.177 -6.695 1.00 0.00 H new ATOM 0 HB3 ALA A 23 14.213 -4.724 -6.846 1.00 0.00 H new ATOM 347 N LEU A 24 14.766 -2.378 -5.144 1.00 0.00 N ATOM 348 CA LEU A 24 14.694 -0.892 -5.166 1.00 0.00 C ATOM 349 C LEU A 24 15.527 -0.290 -4.029 1.00 0.00 C ATOM 350 O LEU A 24 16.548 0.329 -4.257 1.00 0.00 O ATOM 351 CB LEU A 24 13.211 -0.571 -4.978 1.00 0.00 C ATOM 352 CG LEU A 24 12.856 0.707 -5.743 1.00 0.00 C ATOM 353 CD1 LEU A 24 13.292 0.570 -7.203 1.00 0.00 C ATOM 354 CD2 LEU A 24 11.343 0.930 -5.685 1.00 0.00 C ATOM 0 H LEU A 24 13.919 -2.848 -4.824 1.00 0.00 H new ATOM 0 HA LEU A 24 15.092 -0.475 -6.091 1.00 0.00 H new ATOM 0 HB2 LEU A 24 12.602 -1.401 -5.336 1.00 0.00 H new ATOM 0 HB3 LEU A 24 12.988 -0.445 -3.918 1.00 0.00 H new ATOM 0 HG LEU A 24 13.370 1.555 -5.289 1.00 0.00 H new ATOM 0 HD11 LEU A 24 13.038 1.481 -7.745 1.00 0.00 H new ATOM 0 HD12 LEU A 24 14.369 0.409 -7.247 1.00 0.00 H new ATOM 0 HD13 LEU A 24 12.780 -0.278 -7.658 1.00 0.00 H new ATOM 0 HD21 LEU A 24 11.088 1.839 -6.229 1.00 0.00 H new ATOM 0 HD22 LEU A 24 10.832 0.081 -6.139 1.00 0.00 H new ATOM 0 HD23 LEU A 24 11.029 1.029 -4.646 1.00 0.00 H new ATOM 366 N VAL A 25 15.097 -0.458 -2.807 1.00 0.00 N ATOM 367 CA VAL A 25 15.862 0.115 -1.659 1.00 0.00 C ATOM 368 C VAL A 25 16.923 -0.874 -1.168 1.00 0.00 C ATOM 369 O VAL A 25 17.929 -0.488 -0.605 1.00 0.00 O ATOM 370 CB VAL A 25 14.816 0.365 -0.573 1.00 0.00 C ATOM 371 CG1 VAL A 25 14.198 -0.962 -0.132 1.00 0.00 C ATOM 372 CG2 VAL A 25 15.477 1.049 0.624 1.00 0.00 C ATOM 0 H VAL A 25 14.250 -0.967 -2.553 1.00 0.00 H new ATOM 0 HA VAL A 25 16.392 1.026 -1.935 1.00 0.00 H new ATOM 0 HB VAL A 25 14.031 1.009 -0.970 1.00 0.00 H new ATOM 0 HG11 VAL A 25 13.453 -0.777 0.642 1.00 0.00 H new ATOM 0 HG12 VAL A 25 13.722 -1.443 -0.986 1.00 0.00 H new ATOM 0 HG13 VAL A 25 14.978 -1.613 0.263 1.00 0.00 H new ATOM 0 HG21 VAL A 25 14.731 1.227 1.399 1.00 0.00 H new ATOM 0 HG22 VAL A 25 16.265 0.408 1.020 1.00 0.00 H new ATOM 0 HG23 VAL A 25 15.907 2.000 0.308 1.00 0.00 H new ATOM 382 N GLY A 26 16.707 -2.143 -1.369 1.00 0.00 N ATOM 383 CA GLY A 26 17.705 -3.150 -0.906 1.00 0.00 C ATOM 384 C GLY A 26 17.047 -4.094 0.100 1.00 0.00 C ATOM 385 O GLY A 26 16.018 -3.791 0.670 1.00 0.00 O ATOM 0 H GLY A 26 15.884 -2.528 -1.833 1.00 0.00 H new ATOM 0 HA2 GLY A 26 18.088 -3.716 -1.755 1.00 0.00 H new ATOM 0 HA3 GLY A 26 18.557 -2.649 -0.447 1.00 0.00 H new ATOM 389 N ALA A 27 17.635 -5.236 0.325 1.00 0.00 N ATOM 390 CA ALA A 27 17.045 -6.201 1.293 1.00 0.00 C ATOM 391 C ALA A 27 17.031 -5.601 2.699 1.00 0.00 C ATOM 392 O ALA A 27 15.989 -5.390 3.287 1.00 0.00 O ATOM 393 CB ALA A 27 17.957 -7.427 1.241 1.00 0.00 C ATOM 0 H ALA A 27 18.500 -5.543 -0.121 1.00 0.00 H new ATOM 0 HA ALA A 27 16.013 -6.451 1.046 1.00 0.00 H new ATOM 0 HB1 ALA A 27 17.586 -8.186 1.930 1.00 0.00 H new ATOM 0 HB2 ALA A 27 17.967 -7.830 0.228 1.00 0.00 H new ATOM 0 HB3 ALA A 27 18.969 -7.140 1.527 1.00 0.00 H new ATOM 399 N ALA A 28 18.182 -5.326 3.240 1.00 0.00 N ATOM 400 CA ALA A 28 18.242 -4.738 4.608 1.00 0.00 C ATOM 401 C ALA A 28 17.325 -3.517 4.693 1.00 0.00 C ATOM 402 O ALA A 28 16.726 -3.246 5.715 1.00 0.00 O ATOM 403 CB ALA A 28 19.702 -4.328 4.800 1.00 0.00 C ATOM 0 H ALA A 28 19.086 -5.483 2.795 1.00 0.00 H new ATOM 0 HA ALA A 28 17.913 -5.438 5.376 1.00 0.00 H new ATOM 0 HB1 ALA A 28 19.829 -3.885 5.788 1.00 0.00 H new ATOM 0 HB2 ALA A 28 20.341 -5.206 4.712 1.00 0.00 H new ATOM 0 HB3 ALA A 28 19.979 -3.600 4.037 1.00 0.00 H new ATOM 409 N ALA A 29 17.209 -2.779 3.624 1.00 0.00 N ATOM 410 CA ALA A 29 16.328 -1.577 3.643 1.00 0.00 C ATOM 411 C ALA A 29 14.875 -1.994 3.868 1.00 0.00 C ATOM 412 O ALA A 29 14.153 -1.388 4.635 1.00 0.00 O ATOM 413 CB ALA A 29 16.484 -0.941 2.262 1.00 0.00 C ATOM 0 H ALA A 29 17.685 -2.955 2.739 1.00 0.00 H new ATOM 0 HA ALA A 29 16.596 -0.887 4.443 1.00 0.00 H new ATOM 0 HB1 ALA A 29 15.863 -0.047 2.201 1.00 0.00 H new ATOM 0 HB2 ALA A 29 17.527 -0.669 2.102 1.00 0.00 H new ATOM 0 HB3 ALA A 29 16.173 -1.652 1.497 1.00 0.00 H new ATOM 419 N VAL A 30 14.442 -3.023 3.199 1.00 0.00 N ATOM 420 CA VAL A 30 13.035 -3.482 3.363 1.00 0.00 C ATOM 421 C VAL A 30 12.774 -3.889 4.817 1.00 0.00 C ATOM 422 O VAL A 30 11.727 -3.620 5.369 1.00 0.00 O ATOM 423 CB VAL A 30 12.902 -4.691 2.436 1.00 0.00 C ATOM 424 CG1 VAL A 30 11.466 -5.215 2.476 1.00 0.00 C ATOM 425 CG2 VAL A 30 13.249 -4.275 1.005 1.00 0.00 C ATOM 0 H VAL A 30 15.002 -3.568 2.544 1.00 0.00 H new ATOM 0 HA VAL A 30 12.316 -2.700 3.120 1.00 0.00 H new ATOM 0 HB VAL A 30 13.583 -5.475 2.766 1.00 0.00 H new ATOM 0 HG11 VAL A 30 11.374 -6.076 1.814 1.00 0.00 H new ATOM 0 HG12 VAL A 30 11.215 -5.511 3.494 1.00 0.00 H new ATOM 0 HG13 VAL A 30 10.783 -4.431 2.148 1.00 0.00 H new ATOM 0 HG21 VAL A 30 13.155 -5.136 0.343 1.00 0.00 H new ATOM 0 HG22 VAL A 30 12.567 -3.490 0.679 1.00 0.00 H new ATOM 0 HG23 VAL A 30 14.273 -3.903 0.972 1.00 0.00 H new ATOM 435 N THR A 31 13.721 -4.538 5.441 1.00 0.00 N ATOM 436 CA THR A 31 13.523 -4.962 6.858 1.00 0.00 C ATOM 437 C THR A 31 13.564 -3.745 7.786 1.00 0.00 C ATOM 438 O THR A 31 13.029 -3.767 8.878 1.00 0.00 O ATOM 439 CB THR A 31 14.691 -5.902 7.159 1.00 0.00 C ATOM 440 OG1 THR A 31 14.963 -6.700 6.015 1.00 0.00 O ATOM 441 CG2 THR A 31 14.331 -6.805 8.340 1.00 0.00 C ATOM 0 H THR A 31 14.620 -4.792 5.032 1.00 0.00 H new ATOM 0 HA THR A 31 12.559 -5.447 7.011 1.00 0.00 H new ATOM 0 HB THR A 31 15.574 -5.315 7.410 1.00 0.00 H new ATOM 0 HG1 THR A 31 15.713 -7.302 6.206 1.00 0.00 H new ATOM 0 HG21 THR A 31 15.164 -7.474 8.553 1.00 0.00 H new ATOM 0 HG22 THR A 31 14.124 -6.192 9.217 1.00 0.00 H new ATOM 0 HG23 THR A 31 13.447 -7.393 8.092 1.00 0.00 H new ATOM 449 N ALA A 32 14.195 -2.685 7.364 1.00 0.00 N ATOM 450 CA ALA A 32 14.273 -1.470 8.226 1.00 0.00 C ATOM 451 C ALA A 32 13.014 -0.614 8.057 1.00 0.00 C ATOM 452 O ALA A 32 12.688 0.199 8.900 1.00 0.00 O ATOM 453 CB ALA A 32 15.505 -0.713 7.731 1.00 0.00 C ATOM 0 H ALA A 32 14.660 -2.606 6.460 1.00 0.00 H new ATOM 0 HA ALA A 32 14.344 -1.721 9.284 1.00 0.00 H new ATOM 0 HB1 ALA A 32 15.632 0.197 8.317 1.00 0.00 H new ATOM 0 HB2 ALA A 32 16.388 -1.343 7.842 1.00 0.00 H new ATOM 0 HB3 ALA A 32 15.375 -0.453 6.680 1.00 0.00 H new ATOM 459 N ALA A 33 12.306 -0.784 6.974 1.00 0.00 N ATOM 460 CA ALA A 33 11.073 0.028 6.756 1.00 0.00 C ATOM 461 C ALA A 33 9.850 -0.685 7.342 1.00 0.00 C ATOM 462 O ALA A 33 8.728 -0.277 7.131 1.00 0.00 O ATOM 463 CB ALA A 33 10.943 0.149 5.238 1.00 0.00 C ATOM 0 H ALA A 33 12.526 -1.448 6.232 1.00 0.00 H new ATOM 0 HA ALA A 33 11.133 1.002 7.242 1.00 0.00 H new ATOM 0 HB1 ALA A 33 10.057 0.735 4.994 1.00 0.00 H new ATOM 0 HB2 ALA A 33 11.827 0.644 4.835 1.00 0.00 H new ATOM 0 HB3 ALA A 33 10.853 -0.845 4.800 1.00 0.00 H new ATOM 469 N ASN A 34 10.058 -1.743 8.075 1.00 0.00 N ATOM 470 CA ASN A 34 8.903 -2.478 8.671 1.00 0.00 C ATOM 471 C ASN A 34 7.957 -2.970 7.569 1.00 0.00 C ATOM 472 O ASN A 34 6.838 -2.504 7.429 1.00 0.00 O ATOM 473 CB ASN A 34 8.207 -1.461 9.578 1.00 0.00 C ATOM 474 CG ASN A 34 7.033 -2.127 10.305 1.00 0.00 C ATOM 475 OD1 ASN A 34 6.194 -1.453 10.865 1.00 0.00 O ATOM 476 ND2 ASN A 34 6.940 -3.430 10.323 1.00 0.00 N ATOM 0 H ASN A 34 10.977 -2.132 8.288 1.00 0.00 H new ATOM 0 HA ASN A 34 9.218 -3.362 9.226 1.00 0.00 H new ATOM 0 HB2 ASN A 34 8.916 -1.063 10.303 1.00 0.00 H new ATOM 0 HB3 ASN A 34 7.849 -0.618 8.986 1.00 0.00 H new ATOM 0 HD21 ASN A 34 6.163 -3.879 10.807 1.00 0.00 H new ATOM 0 HD22 ASN A 34 7.645 -3.998 9.853 1.00 0.00 H new ATOM 483 N ILE A 35 8.400 -3.918 6.789 1.00 0.00 N ATOM 484 CA ILE A 35 7.539 -4.456 5.699 1.00 0.00 C ATOM 485 C ILE A 35 7.314 -5.954 5.913 1.00 0.00 C ATOM 486 O ILE A 35 8.221 -6.753 5.785 1.00 0.00 O ATOM 487 CB ILE A 35 8.323 -4.206 4.410 1.00 0.00 C ATOM 488 CG1 ILE A 35 8.226 -2.725 4.037 1.00 0.00 C ATOM 489 CG2 ILE A 35 7.733 -5.055 3.283 1.00 0.00 C ATOM 490 CD1 ILE A 35 9.624 -2.177 3.745 1.00 0.00 C ATOM 0 H ILE A 35 9.324 -4.344 6.860 1.00 0.00 H new ATOM 0 HA ILE A 35 6.557 -3.983 5.669 1.00 0.00 H new ATOM 0 HB ILE A 35 9.368 -4.477 4.560 1.00 0.00 H new ATOM 0 HG12 ILE A 35 7.586 -2.601 3.164 1.00 0.00 H new ATOM 0 HG13 ILE A 35 7.767 -2.164 4.851 1.00 0.00 H new ATOM 0 HG21 ILE A 35 8.291 -4.878 2.364 1.00 0.00 H new ATOM 0 HG22 ILE A 35 7.799 -6.110 3.550 1.00 0.00 H new ATOM 0 HG23 ILE A 35 6.688 -4.783 3.132 1.00 0.00 H new ATOM 0 HD11 ILE A 35 9.553 -1.122 3.479 1.00 0.00 H new ATOM 0 HD12 ILE A 35 10.250 -2.287 4.630 1.00 0.00 H new ATOM 0 HD13 ILE A 35 10.066 -2.731 2.917 1.00 0.00 H new ATOM 502 N ARG A 36 6.114 -6.339 6.246 1.00 0.00 N ATOM 503 CA ARG A 36 5.833 -7.784 6.479 1.00 0.00 C ATOM 504 C ARG A 36 5.350 -8.452 5.190 1.00 0.00 C ATOM 505 O ARG A 36 4.896 -7.799 4.270 1.00 0.00 O ATOM 506 CB ARG A 36 4.729 -7.804 7.537 1.00 0.00 C ATOM 507 CG ARG A 36 5.076 -6.822 8.659 1.00 0.00 C ATOM 508 CD ARG A 36 4.890 -7.508 10.014 1.00 0.00 C ATOM 509 NE ARG A 36 3.415 -7.611 10.194 1.00 0.00 N ATOM 510 CZ ARG A 36 2.810 -8.747 9.979 1.00 0.00 C ATOM 511 NH1 ARG A 36 2.850 -9.689 10.881 1.00 0.00 N ATOM 512 NH2 ARG A 36 2.163 -8.940 8.861 1.00 0.00 N ATOM 0 H ARG A 36 5.315 -5.716 6.367 1.00 0.00 H new ATOM 0 HA ARG A 36 6.721 -8.328 6.800 1.00 0.00 H new ATOM 0 HB2 ARG A 36 3.774 -7.534 7.086 1.00 0.00 H new ATOM 0 HB3 ARG A 36 4.617 -8.810 7.942 1.00 0.00 H new ATOM 0 HG2 ARG A 36 6.105 -6.479 8.551 1.00 0.00 H new ATOM 0 HG3 ARG A 36 4.438 -5.940 8.595 1.00 0.00 H new ATOM 0 HD2 ARG A 36 5.359 -8.492 10.026 1.00 0.00 H new ATOM 0 HD3 ARG A 36 5.346 -6.928 10.816 1.00 0.00 H new ATOM 0 HE ARG A 36 2.878 -6.794 10.485 1.00 0.00 H new ATOM 0 HH11 ARG A 36 3.354 -9.538 11.755 1.00 0.00 H new ATOM 0 HH12 ARG A 36 2.377 -10.577 10.713 1.00 0.00 H new ATOM 0 HH21 ARG A 36 2.131 -8.203 8.157 1.00 0.00 H new ATOM 0 HH22 ARG A 36 1.690 -9.828 8.692 1.00 0.00 H new ATOM 526 N ARG A 37 5.444 -9.752 5.119 1.00 0.00 N ATOM 527 CA ARG A 37 4.989 -10.469 3.894 1.00 0.00 C ATOM 528 C ARG A 37 3.727 -11.279 4.200 1.00 0.00 C ATOM 529 O ARG A 37 3.511 -11.710 5.316 1.00 0.00 O ATOM 530 CB ARG A 37 6.145 -11.399 3.524 1.00 0.00 C ATOM 531 CG ARG A 37 7.010 -10.734 2.451 1.00 0.00 C ATOM 532 CD ARG A 37 8.393 -11.390 2.431 1.00 0.00 C ATOM 533 NE ARG A 37 8.126 -12.854 2.472 1.00 0.00 N ATOM 534 CZ ARG A 37 8.507 -13.558 3.504 1.00 0.00 C ATOM 535 NH1 ARG A 37 9.773 -13.816 3.686 1.00 0.00 N ATOM 536 NH2 ARG A 37 7.621 -14.003 4.352 1.00 0.00 N ATOM 0 H ARG A 37 5.817 -10.349 5.857 1.00 0.00 H new ATOM 0 HA ARG A 37 4.742 -9.785 3.082 1.00 0.00 H new ATOM 0 HB2 ARG A 37 6.746 -11.619 4.406 1.00 0.00 H new ATOM 0 HB3 ARG A 37 5.758 -12.350 3.157 1.00 0.00 H new ATOM 0 HG2 ARG A 37 6.536 -10.831 1.475 1.00 0.00 H new ATOM 0 HG3 ARG A 37 7.105 -9.667 2.655 1.00 0.00 H new ATOM 0 HD2 ARG A 37 8.947 -11.115 1.534 1.00 0.00 H new ATOM 0 HD3 ARG A 37 8.992 -11.074 3.285 1.00 0.00 H new ATOM 0 HE ARG A 37 7.646 -13.307 1.695 1.00 0.00 H new ATOM 0 HH11 ARG A 37 10.465 -13.468 3.022 1.00 0.00 H new ATOM 0 HH12 ARG A 37 10.071 -14.366 4.492 1.00 0.00 H new ATOM 0 HH21 ARG A 37 6.632 -13.801 4.209 1.00 0.00 H new ATOM 0 HH22 ARG A 37 7.918 -14.553 5.158 1.00 0.00 H new ATOM 550 N ALA A 38 2.894 -11.489 3.221 1.00 0.00 N ATOM 551 CA ALA A 38 1.649 -12.272 3.457 1.00 0.00 C ATOM 552 C ALA A 38 1.630 -13.516 2.565 1.00 0.00 C ATOM 553 O ALA A 38 2.599 -13.831 1.903 1.00 0.00 O ATOM 554 CB ALA A 38 0.510 -11.321 3.086 1.00 0.00 C ATOM 0 H ALA A 38 3.021 -11.152 2.267 1.00 0.00 H new ATOM 0 HA ALA A 38 1.567 -12.622 4.486 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -0.446 -11.824 3.232 1.00 0.00 H new ATOM 0 HB2 ALA A 38 0.555 -10.435 3.719 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.608 -11.026 2.041 1.00 0.00 H new ATOM 560 N SER A 39 0.536 -14.227 2.544 1.00 0.00 N ATOM 561 CA SER A 39 0.458 -15.451 1.697 1.00 0.00 C ATOM 562 C SER A 39 0.381 -15.068 0.216 1.00 0.00 C ATOM 563 O SER A 39 0.359 -15.915 -0.654 1.00 0.00 O ATOM 564 CB SER A 39 -0.827 -16.152 2.136 1.00 0.00 C ATOM 565 OG SER A 39 -0.773 -17.518 1.747 1.00 0.00 O ATOM 0 H SER A 39 -0.307 -14.013 3.077 1.00 0.00 H new ATOM 0 HA SER A 39 1.333 -16.090 1.813 1.00 0.00 H new ATOM 0 HB2 SER A 39 -0.946 -16.074 3.217 1.00 0.00 H new ATOM 0 HB3 SER A 39 -1.692 -15.667 1.684 1.00 0.00 H new ATOM 0 HG SER A 39 -0.387 -17.587 0.849 1.00 0.00 H new ATOM 571 N SER A 40 0.338 -13.796 -0.076 1.00 0.00 N ATOM 572 CA SER A 40 0.261 -13.358 -1.500 1.00 0.00 C ATOM 573 C SER A 40 -0.011 -11.853 -1.573 1.00 0.00 C ATOM 574 O SER A 40 0.121 -11.141 -0.597 1.00 0.00 O ATOM 575 CB SER A 40 -0.907 -14.142 -2.098 1.00 0.00 C ATOM 576 OG SER A 40 -0.406 -15.283 -2.781 1.00 0.00 O ATOM 0 H SER A 40 0.353 -13.041 0.610 1.00 0.00 H new ATOM 0 HA SER A 40 1.191 -13.542 -2.038 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.595 -14.449 -1.310 1.00 0.00 H new ATOM 0 HB3 SER A 40 -1.470 -13.511 -2.785 1.00 0.00 H new ATOM 0 HG SER A 40 0.288 -15.711 -2.238 1.00 0.00 H new ATOM 582 N ASP A 41 -0.392 -11.363 -2.720 1.00 0.00 N ATOM 583 CA ASP A 41 -0.674 -9.906 -2.851 1.00 0.00 C ATOM 584 C ASP A 41 -1.969 -9.549 -2.114 1.00 0.00 C ATOM 585 O ASP A 41 -2.298 -8.393 -1.940 1.00 0.00 O ATOM 586 CB ASP A 41 -0.828 -9.665 -4.353 1.00 0.00 C ATOM 587 CG ASP A 41 0.551 -9.671 -5.014 1.00 0.00 C ATOM 588 OD1 ASP A 41 1.505 -9.296 -4.353 1.00 0.00 O ATOM 589 OD2 ASP A 41 0.630 -10.052 -6.170 1.00 0.00 O ATOM 0 H ASP A 41 -0.520 -11.908 -3.572 1.00 0.00 H new ATOM 0 HA ASP A 41 0.117 -9.292 -2.419 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -1.458 -10.438 -4.794 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.324 -8.711 -4.530 1.00 0.00 H new ATOM 594 N ASN A 42 -2.703 -10.536 -1.678 1.00 0.00 N ATOM 595 CA ASN A 42 -3.976 -10.256 -0.952 1.00 0.00 C ATOM 596 C ASN A 42 -3.745 -10.320 0.562 1.00 0.00 C ATOM 597 O ASN A 42 -3.691 -11.384 1.144 1.00 0.00 O ATOM 598 CB ASN A 42 -4.932 -11.364 -1.394 1.00 0.00 C ATOM 599 CG ASN A 42 -6.339 -11.063 -0.872 1.00 0.00 C ATOM 600 OD1 ASN A 42 -6.516 -10.759 0.291 1.00 0.00 O ATOM 601 ND2 ASN A 42 -7.354 -11.136 -1.690 1.00 0.00 N ATOM 0 H ASN A 42 -2.477 -11.524 -1.793 1.00 0.00 H new ATOM 0 HA ASN A 42 -4.370 -9.264 -1.172 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -4.944 -11.436 -2.482 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -4.590 -12.327 -1.014 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -8.296 -10.938 -1.353 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -7.205 -11.391 -2.666 1.00 0.00 H new ATOM 608 N HIS A 43 -3.607 -9.191 1.205 1.00 0.00 N ATOM 609 CA HIS A 43 -3.382 -9.197 2.679 1.00 0.00 C ATOM 610 C HIS A 43 -4.128 -8.038 3.339 1.00 0.00 C ATOM 611 O HIS A 43 -4.741 -7.223 2.680 1.00 0.00 O ATOM 612 CB HIS A 43 -1.871 -9.030 2.869 1.00 0.00 C ATOM 613 CG HIS A 43 -1.319 -8.056 1.857 1.00 0.00 C ATOM 614 ND1 HIS A 43 -1.136 -6.710 2.142 1.00 0.00 N ATOM 615 CD2 HIS A 43 -0.881 -8.229 0.569 1.00 0.00 C ATOM 616 CE1 HIS A 43 -0.600 -6.132 1.047 1.00 0.00 C ATOM 617 NE2 HIS A 43 -0.428 -7.016 0.059 1.00 0.00 N ATOM 0 H HIS A 43 -3.640 -8.267 0.774 1.00 0.00 H new ATOM 0 HA HIS A 43 -3.748 -10.116 3.136 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -1.662 -8.674 3.878 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -1.376 -9.995 2.762 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -0.887 -9.166 0.031 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -0.342 -5.086 0.977 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -0.046 -6.839 -0.870 1.00 0.00 H new ATOM 625 N SER A 44 -4.073 -7.958 4.639 1.00 0.00 N ATOM 626 CA SER A 44 -4.773 -6.849 5.347 1.00 0.00 C ATOM 627 C SER A 44 -3.948 -5.566 5.244 1.00 0.00 C ATOM 628 O SER A 44 -2.767 -5.554 5.530 1.00 0.00 O ATOM 629 CB SER A 44 -4.877 -7.297 6.805 1.00 0.00 C ATOM 630 OG SER A 44 -3.733 -8.069 7.146 1.00 0.00 O ATOM 0 H SER A 44 -3.574 -8.612 5.242 1.00 0.00 H new ATOM 0 HA SER A 44 -5.754 -6.643 4.918 1.00 0.00 H new ATOM 0 HB2 SER A 44 -4.951 -6.428 7.459 1.00 0.00 H new ATOM 0 HB3 SER A 44 -5.783 -7.885 6.952 1.00 0.00 H new ATOM 0 HG SER A 44 -3.798 -8.355 8.081 1.00 0.00 H new ATOM 636 N CYS A 45 -4.556 -4.485 4.843 1.00 0.00 N ATOM 637 CA CYS A 45 -3.793 -3.212 4.730 1.00 0.00 C ATOM 638 C CYS A 45 -4.442 -2.120 5.582 1.00 0.00 C ATOM 639 O CYS A 45 -5.487 -2.312 6.183 1.00 0.00 O ATOM 640 CB CYS A 45 -3.833 -2.835 3.249 1.00 0.00 C ATOM 641 SG CYS A 45 -5.520 -3.007 2.619 1.00 0.00 S ATOM 0 H CYS A 45 -5.542 -4.428 4.590 1.00 0.00 H new ATOM 0 HA CYS A 45 -2.769 -3.324 5.087 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -3.488 -1.810 3.116 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -3.156 -3.475 2.683 1.00 0.00 H new ATOM 646 N ALA A 46 -3.823 -0.977 5.642 1.00 0.00 N ATOM 647 CA ALA A 46 -4.385 0.131 6.463 1.00 0.00 C ATOM 648 C ALA A 46 -4.741 -0.398 7.853 1.00 0.00 C ATOM 649 O ALA A 46 -5.783 -0.094 8.398 1.00 0.00 O ATOM 650 CB ALA A 46 -5.641 0.585 5.720 1.00 0.00 C ATOM 0 H ALA A 46 -2.952 -0.761 5.158 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.682 0.954 6.596 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.112 1.402 6.267 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.370 0.926 4.721 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.339 -0.249 5.642 1.00 0.00 H new ATOM 656 N GLY A 47 -3.884 -1.202 8.424 1.00 0.00 N ATOM 657 CA GLY A 47 -4.177 -1.766 9.771 1.00 0.00 C ATOM 658 C GLY A 47 -5.416 -2.654 9.675 1.00 0.00 C ATOM 659 O GLY A 47 -5.696 -3.233 8.644 1.00 0.00 O ATOM 0 H GLY A 47 -2.995 -1.491 8.016 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -3.326 -2.344 10.131 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -4.343 -0.962 10.488 1.00 0.00 H new ATOM 663 N ASN A 48 -6.167 -2.764 10.734 1.00 0.00 N ATOM 664 CA ASN A 48 -7.388 -3.609 10.688 1.00 0.00 C ATOM 665 C ASN A 48 -8.567 -2.794 10.153 1.00 0.00 C ATOM 666 O ASN A 48 -9.682 -2.916 10.621 1.00 0.00 O ATOM 667 CB ASN A 48 -7.637 -4.029 12.138 1.00 0.00 C ATOM 668 CG ASN A 48 -7.327 -5.518 12.300 1.00 0.00 C ATOM 669 OD1 ASN A 48 -6.425 -6.033 11.669 1.00 0.00 O ATOM 670 ND2 ASN A 48 -8.040 -6.236 13.123 1.00 0.00 N ATOM 0 H ASN A 48 -5.987 -2.306 11.627 1.00 0.00 H new ATOM 0 HA ASN A 48 -7.272 -4.472 10.032 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -7.012 -3.442 12.810 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -8.673 -3.831 12.412 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -7.841 -7.230 13.237 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -8.797 -5.804 13.653 1.00 0.00 H new ATOM 677 N ARG A 49 -8.329 -1.951 9.183 1.00 0.00 N ATOM 678 CA ARG A 49 -9.433 -1.122 8.630 1.00 0.00 C ATOM 679 C ARG A 49 -9.682 -1.452 7.157 1.00 0.00 C ATOM 680 O ARG A 49 -10.804 -1.427 6.692 1.00 0.00 O ATOM 681 CB ARG A 49 -8.943 0.316 8.781 1.00 0.00 C ATOM 682 CG ARG A 49 -9.177 0.785 10.217 1.00 0.00 C ATOM 683 CD ARG A 49 -10.047 2.044 10.208 1.00 0.00 C ATOM 684 NE ARG A 49 -9.081 3.177 10.180 1.00 0.00 N ATOM 685 CZ ARG A 49 -8.315 3.408 11.210 1.00 0.00 C ATOM 686 NH1 ARG A 49 -8.796 3.297 12.419 1.00 0.00 N ATOM 687 NH2 ARG A 49 -7.068 3.748 11.033 1.00 0.00 N ATOM 0 H ARG A 49 -7.417 -1.803 8.752 1.00 0.00 H new ATOM 0 HA ARG A 49 -10.377 -1.299 9.146 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -7.883 0.378 8.535 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -9.471 0.967 8.084 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -9.664 -0.002 10.793 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -8.224 0.992 10.703 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -10.704 2.064 9.339 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -10.685 2.090 11.091 1.00 0.00 H new ATOM 0 HE ARG A 49 -9.018 3.773 9.355 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -9.771 3.030 12.558 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -8.197 3.478 13.225 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -6.692 3.833 10.089 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -6.469 3.929 11.839 1.00 0.00 H new ATOM 701 N GLY A 50 -8.654 -1.756 6.414 1.00 0.00 N ATOM 702 CA GLY A 50 -8.859 -2.076 4.973 1.00 0.00 C ATOM 703 C GLY A 50 -8.249 -3.442 4.650 1.00 0.00 C ATOM 704 O GLY A 50 -7.483 -3.988 5.418 1.00 0.00 O ATOM 0 H GLY A 50 -7.688 -1.797 6.739 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -9.924 -2.080 4.740 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -8.400 -1.307 4.352 1.00 0.00 H new ATOM 708 N TRP A 51 -8.590 -3.997 3.519 1.00 0.00 N ATOM 709 CA TRP A 51 -8.039 -5.328 3.139 1.00 0.00 C ATOM 710 C TRP A 51 -7.632 -5.315 1.664 1.00 0.00 C ATOM 711 O TRP A 51 -7.858 -4.351 0.963 1.00 0.00 O ATOM 712 CB TRP A 51 -9.194 -6.303 3.356 1.00 0.00 C ATOM 713 CG TRP A 51 -9.049 -6.981 4.681 1.00 0.00 C ATOM 714 CD1 TRP A 51 -9.807 -6.724 5.772 1.00 0.00 C ATOM 715 CD2 TRP A 51 -8.110 -8.023 5.070 1.00 0.00 C ATOM 716 NE1 TRP A 51 -9.393 -7.543 6.805 1.00 0.00 N ATOM 717 CE2 TRP A 51 -8.349 -8.362 6.422 1.00 0.00 C ATOM 718 CE3 TRP A 51 -7.084 -8.699 4.386 1.00 0.00 C ATOM 719 CZ2 TRP A 51 -7.597 -9.340 7.074 1.00 0.00 C ATOM 720 CZ3 TRP A 51 -6.325 -9.683 5.039 1.00 0.00 C ATOM 721 CH2 TRP A 51 -6.581 -10.003 6.380 1.00 0.00 C ATOM 0 H TRP A 51 -9.229 -3.584 2.840 1.00 0.00 H new ATOM 0 HA TRP A 51 -7.157 -5.598 3.720 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -10.144 -5.770 3.313 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -9.209 -7.045 2.558 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -10.605 -5.998 5.826 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -9.808 -7.543 7.737 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -6.879 -8.460 3.353 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -7.798 -9.583 8.107 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -5.539 -10.197 4.505 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -5.993 -10.761 6.876 1.00 0.00 H new ATOM 732 N CYS A 52 -7.035 -6.371 1.182 1.00 0.00 N ATOM 733 CA CYS A 52 -6.629 -6.392 -0.251 1.00 0.00 C ATOM 734 C CYS A 52 -7.527 -7.337 -1.051 1.00 0.00 C ATOM 735 O CYS A 52 -7.598 -8.520 -0.785 1.00 0.00 O ATOM 736 CB CYS A 52 -5.194 -6.904 -0.253 1.00 0.00 C ATOM 737 SG CYS A 52 -4.380 -6.405 -1.788 1.00 0.00 S ATOM 0 H CYS A 52 -6.813 -7.213 1.713 1.00 0.00 H new ATOM 0 HA CYS A 52 -6.715 -5.407 -0.710 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -4.653 -6.505 0.605 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -5.184 -7.990 -0.159 1.00 0.00 H new ATOM 742 N ARG A 53 -8.206 -6.818 -2.033 1.00 0.00 N ATOM 743 CA ARG A 53 -9.100 -7.668 -2.867 1.00 0.00 C ATOM 744 C ARG A 53 -8.960 -7.263 -4.335 1.00 0.00 C ATOM 745 O ARG A 53 -8.787 -6.101 -4.644 1.00 0.00 O ATOM 746 CB ARG A 53 -10.514 -7.359 -2.372 1.00 0.00 C ATOM 747 CG ARG A 53 -10.639 -7.696 -0.889 1.00 0.00 C ATOM 748 CD ARG A 53 -11.133 -6.459 -0.142 1.00 0.00 C ATOM 749 NE ARG A 53 -11.220 -6.881 1.283 1.00 0.00 N ATOM 750 CZ ARG A 53 -12.042 -6.273 2.094 1.00 0.00 C ATOM 751 NH1 ARG A 53 -12.540 -5.112 1.769 1.00 0.00 N ATOM 752 NH2 ARG A 53 -12.365 -6.826 3.231 1.00 0.00 N ATOM 0 H ARG A 53 -8.180 -5.833 -2.297 1.00 0.00 H new ATOM 0 HA ARG A 53 -8.862 -8.729 -2.789 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -10.741 -6.305 -2.533 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -11.241 -7.933 -2.945 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -11.333 -8.524 -0.748 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -9.676 -8.016 -0.492 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -10.445 -5.622 -0.265 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -12.103 -6.132 -0.517 1.00 0.00 H new ATOM 0 HE ARG A 53 -10.637 -7.645 1.625 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -12.287 -4.679 0.881 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -13.182 -4.637 2.403 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -11.975 -7.733 3.486 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -13.007 -6.351 3.865 1.00 0.00 H new ATOM 766 N SER A 54 -9.044 -8.196 -5.247 1.00 0.00 N ATOM 767 CA SER A 54 -8.928 -7.820 -6.685 1.00 0.00 C ATOM 768 C SER A 54 -9.800 -6.591 -6.936 1.00 0.00 C ATOM 769 O SER A 54 -9.435 -5.683 -7.657 1.00 0.00 O ATOM 770 CB SER A 54 -9.446 -9.028 -7.463 1.00 0.00 C ATOM 771 OG SER A 54 -8.359 -9.891 -7.769 1.00 0.00 O ATOM 0 H SER A 54 -9.186 -9.189 -5.061 1.00 0.00 H new ATOM 0 HA SER A 54 -7.909 -7.574 -6.985 1.00 0.00 H new ATOM 0 HB2 SER A 54 -10.194 -9.560 -6.875 1.00 0.00 H new ATOM 0 HB3 SER A 54 -9.935 -8.701 -8.381 1.00 0.00 H new ATOM 0 HG SER A 54 -7.541 -9.546 -7.355 1.00 0.00 H new ATOM 777 N LYS A 55 -10.944 -6.557 -6.314 1.00 0.00 N ATOM 778 CA LYS A 55 -11.861 -5.400 -6.459 1.00 0.00 C ATOM 779 C LYS A 55 -12.341 -4.978 -5.067 1.00 0.00 C ATOM 780 O LYS A 55 -11.760 -5.351 -4.069 1.00 0.00 O ATOM 781 CB LYS A 55 -13.027 -5.922 -7.295 1.00 0.00 C ATOM 782 CG LYS A 55 -13.441 -7.309 -6.796 1.00 0.00 C ATOM 783 CD LYS A 55 -12.672 -8.382 -7.568 1.00 0.00 C ATOM 784 CE LYS A 55 -13.543 -9.633 -7.709 1.00 0.00 C ATOM 785 NZ LYS A 55 -12.632 -10.676 -8.257 1.00 0.00 N ATOM 0 H LYS A 55 -11.286 -7.297 -5.701 1.00 0.00 H new ATOM 0 HA LYS A 55 -11.392 -4.535 -6.928 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -13.870 -5.235 -7.229 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -12.739 -5.974 -8.345 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -13.238 -7.398 -5.729 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -14.514 -7.449 -6.929 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -12.393 -8.007 -8.553 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -11.747 -8.627 -7.047 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -13.957 -9.936 -6.747 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -14.386 -9.454 -8.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -13.157 -11.565 -8.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -12.258 -10.363 -9.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -11.843 -10.830 -7.597 1.00 0.00 H new ATOM 799 N CYS A 56 -13.397 -4.219 -4.983 1.00 0.00 N ATOM 800 CA CYS A 56 -13.900 -3.798 -3.642 1.00 0.00 C ATOM 801 C CYS A 56 -15.430 -3.756 -3.636 1.00 0.00 C ATOM 802 O CYS A 56 -16.072 -4.019 -4.634 1.00 0.00 O ATOM 803 CB CYS A 56 -13.327 -2.399 -3.417 1.00 0.00 C ATOM 804 SG CYS A 56 -11.558 -2.398 -3.799 1.00 0.00 S ATOM 0 H CYS A 56 -13.933 -3.872 -5.779 1.00 0.00 H new ATOM 0 HA CYS A 56 -13.598 -4.492 -2.857 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -13.846 -1.677 -4.048 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -13.486 -2.092 -2.383 1.00 0.00 H new ATOM 809 N PHE A 57 -16.018 -3.421 -2.520 1.00 0.00 N ATOM 810 CA PHE A 57 -17.507 -3.356 -2.452 1.00 0.00 C ATOM 811 C PHE A 57 -18.002 -2.041 -3.056 1.00 0.00 C ATOM 812 O PHE A 57 -17.232 -1.254 -3.569 1.00 0.00 O ATOM 813 CB PHE A 57 -17.844 -3.418 -0.963 1.00 0.00 C ATOM 814 CG PHE A 57 -17.729 -4.842 -0.476 1.00 0.00 C ATOM 815 CD1 PHE A 57 -18.820 -5.712 -0.589 1.00 0.00 C ATOM 816 CD2 PHE A 57 -16.531 -5.293 0.091 1.00 0.00 C ATOM 817 CE1 PHE A 57 -18.715 -7.031 -0.136 1.00 0.00 C ATOM 818 CE2 PHE A 57 -16.424 -6.613 0.543 1.00 0.00 C ATOM 819 CZ PHE A 57 -17.517 -7.482 0.430 1.00 0.00 C ATOM 0 H PHE A 57 -15.533 -3.190 -1.653 1.00 0.00 H new ATOM 0 HA PHE A 57 -17.980 -4.165 -3.009 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -17.168 -2.775 -0.400 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -18.854 -3.045 -0.793 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -19.744 -5.364 -1.027 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -15.689 -4.622 0.180 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -19.558 -7.701 -0.223 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -15.499 -6.962 0.979 1.00 0.00 H new ATOM 0 HZ PHE A 57 -17.435 -8.500 0.780 1.00 0.00 H new ATOM 829 N ARG A 58 -19.282 -1.798 -3.001 1.00 0.00 N ATOM 830 CA ARG A 58 -19.825 -0.539 -3.573 1.00 0.00 C ATOM 831 C ARG A 58 -19.711 0.600 -2.560 1.00 0.00 C ATOM 832 O ARG A 58 -19.418 1.727 -2.907 1.00 0.00 O ATOM 833 CB ARG A 58 -21.290 -0.842 -3.879 1.00 0.00 C ATOM 834 CG ARG A 58 -21.727 -0.064 -5.121 1.00 0.00 C ATOM 835 CD ARG A 58 -23.197 -0.361 -5.420 1.00 0.00 C ATOM 836 NE ARG A 58 -23.312 -0.277 -6.902 1.00 0.00 N ATOM 837 CZ ARG A 58 -24.274 -0.906 -7.518 1.00 0.00 C ATOM 838 NH1 ARG A 58 -24.168 -2.184 -7.759 1.00 0.00 N ATOM 839 NH2 ARG A 58 -25.343 -0.257 -7.891 1.00 0.00 N ATOM 0 H ARG A 58 -19.975 -2.419 -2.583 1.00 0.00 H new ATOM 0 HA ARG A 58 -19.280 -0.223 -4.463 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -21.424 -1.911 -4.042 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -21.914 -0.568 -3.028 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -21.587 1.005 -4.961 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -21.108 -0.343 -5.974 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -23.482 -1.348 -5.057 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -23.853 0.360 -4.932 1.00 0.00 H new ATOM 0 HE ARG A 58 -22.638 0.273 -7.435 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -23.333 -2.691 -7.466 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -24.920 -2.676 -8.241 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -25.426 0.742 -7.701 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -26.096 -0.748 -8.373 1.00 0.00 H new ATOM 853 N HIS A 59 -19.939 0.317 -1.308 1.00 0.00 N ATOM 854 CA HIS A 59 -19.840 1.387 -0.278 1.00 0.00 C ATOM 855 C HIS A 59 -18.377 1.602 0.117 1.00 0.00 C ATOM 856 O HIS A 59 -18.078 2.303 1.063 1.00 0.00 O ATOM 857 CB HIS A 59 -20.649 0.868 0.912 1.00 0.00 C ATOM 858 CG HIS A 59 -21.801 1.799 1.176 1.00 0.00 C ATOM 859 ND1 HIS A 59 -21.613 3.110 1.582 1.00 0.00 N ATOM 860 CD2 HIS A 59 -23.161 1.621 1.097 1.00 0.00 C ATOM 861 CE1 HIS A 59 -22.830 3.667 1.729 1.00 0.00 C ATOM 862 NE2 HIS A 59 -23.808 2.802 1.446 1.00 0.00 N ATOM 0 H HIS A 59 -20.189 -0.607 -0.954 1.00 0.00 H new ATOM 0 HA HIS A 59 -20.216 2.345 -0.637 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -21.019 -0.136 0.705 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -20.014 0.798 1.795 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -23.653 0.704 0.808 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -22.995 4.689 2.038 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -24.813 2.971 1.479 1.00 0.00 H new ATOM 870 N GLU A 60 -17.462 1.005 -0.598 1.00 0.00 N ATOM 871 CA GLU A 60 -16.024 1.181 -0.254 1.00 0.00 C ATOM 872 C GLU A 60 -15.250 1.712 -1.462 1.00 0.00 C ATOM 873 O GLU A 60 -15.824 2.127 -2.449 1.00 0.00 O ATOM 874 CB GLU A 60 -15.539 -0.217 0.119 1.00 0.00 C ATOM 875 CG GLU A 60 -15.745 -0.444 1.618 1.00 0.00 C ATOM 876 CD GLU A 60 -14.757 -1.502 2.115 1.00 0.00 C ATOM 877 OE1 GLU A 60 -14.324 -2.307 1.306 1.00 0.00 O ATOM 878 OE2 GLU A 60 -14.450 -1.488 3.295 1.00 0.00 O ATOM 0 H GLU A 60 -17.648 0.406 -1.402 1.00 0.00 H new ATOM 0 HA GLU A 60 -15.876 1.897 0.555 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -16.085 -0.968 -0.452 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -14.485 -0.328 -0.135 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -15.598 0.489 2.161 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -16.768 -0.768 1.810 1.00 0.00 H new ATOM 885 N TYR A 61 -13.949 1.694 -1.393 1.00 0.00 N ATOM 886 CA TYR A 61 -13.132 2.188 -2.536 1.00 0.00 C ATOM 887 C TYR A 61 -11.761 1.520 -2.521 1.00 0.00 C ATOM 888 O TYR A 61 -11.569 0.488 -1.912 1.00 0.00 O ATOM 889 CB TYR A 61 -12.989 3.699 -2.322 1.00 0.00 C ATOM 890 CG TYR A 61 -12.019 3.972 -1.193 1.00 0.00 C ATOM 891 CD1 TYR A 61 -12.296 3.500 0.095 1.00 0.00 C ATOM 892 CD2 TYR A 61 -10.846 4.702 -1.432 1.00 0.00 C ATOM 893 CE1 TYR A 61 -11.405 3.754 1.143 1.00 0.00 C ATOM 894 CE2 TYR A 61 -9.956 4.957 -0.380 1.00 0.00 C ATOM 895 CZ TYR A 61 -10.235 4.482 0.906 1.00 0.00 C ATOM 896 OH TYR A 61 -9.356 4.733 1.940 1.00 0.00 O ATOM 0 H TYR A 61 -13.414 1.358 -0.592 1.00 0.00 H new ATOM 0 HA TYR A 61 -13.596 1.962 -3.496 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -12.636 4.173 -3.238 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -13.961 4.136 -2.091 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -13.200 2.938 0.280 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -10.629 5.067 -2.425 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -11.621 3.388 2.136 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -9.053 5.521 -0.562 1.00 0.00 H new ATOM 0 HH TYR A 61 -8.544 5.151 1.585 1.00 0.00 H new ATOM 906 N VAL A 62 -10.811 2.109 -3.181 1.00 0.00 N ATOM 907 CA VAL A 62 -9.441 1.523 -3.208 1.00 0.00 C ATOM 908 C VAL A 62 -8.441 2.547 -2.673 1.00 0.00 C ATOM 909 O VAL A 62 -7.987 3.408 -3.396 1.00 0.00 O ATOM 910 CB VAL A 62 -9.170 1.228 -4.685 1.00 0.00 C ATOM 911 CG1 VAL A 62 -7.708 0.817 -4.872 1.00 0.00 C ATOM 912 CG2 VAL A 62 -10.083 0.091 -5.150 1.00 0.00 C ATOM 0 H VAL A 62 -10.921 2.976 -3.707 1.00 0.00 H new ATOM 0 HA VAL A 62 -9.351 0.627 -2.594 1.00 0.00 H new ATOM 0 HB VAL A 62 -9.369 2.123 -5.274 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -7.521 0.608 -5.925 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -7.057 1.627 -4.541 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -7.503 -0.077 -4.283 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -9.892 -0.122 -6.202 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -9.883 -0.802 -4.557 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -11.125 0.385 -5.022 1.00 0.00 H new ATOM 922 N ASP A 63 -8.101 2.471 -1.412 1.00 0.00 N ATOM 923 CA ASP A 63 -7.133 3.459 -0.851 1.00 0.00 C ATOM 924 C ASP A 63 -5.872 3.493 -1.711 1.00 0.00 C ATOM 925 O ASP A 63 -4.927 2.766 -1.483 1.00 0.00 O ATOM 926 CB ASP A 63 -6.817 2.979 0.567 1.00 0.00 C ATOM 927 CG ASP A 63 -6.657 1.461 0.583 1.00 0.00 C ATOM 928 OD1 ASP A 63 -5.705 0.980 -0.006 1.00 0.00 O ATOM 929 OD2 ASP A 63 -7.492 0.805 1.184 1.00 0.00 O ATOM 0 H ASP A 63 -8.448 1.775 -0.752 1.00 0.00 H new ATOM 0 HA ASP A 63 -7.540 4.470 -0.838 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -5.903 3.453 0.924 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -7.616 3.276 1.246 1.00 0.00 H new ATOM 934 N THR A 64 -5.862 4.334 -2.706 1.00 0.00 N ATOM 935 CA THR A 64 -4.673 4.425 -3.602 1.00 0.00 C ATOM 936 C THR A 64 -3.375 4.398 -2.789 1.00 0.00 C ATOM 937 O THR A 64 -2.331 4.026 -3.284 1.00 0.00 O ATOM 938 CB THR A 64 -4.822 5.766 -4.319 1.00 0.00 C ATOM 939 OG1 THR A 64 -5.610 6.641 -3.524 1.00 0.00 O ATOM 940 CG2 THR A 64 -5.501 5.553 -5.673 1.00 0.00 C ATOM 0 H THR A 64 -6.628 4.965 -2.939 1.00 0.00 H new ATOM 0 HA THR A 64 -4.623 3.587 -4.297 1.00 0.00 H new ATOM 0 HB THR A 64 -3.837 6.205 -4.476 1.00 0.00 H new ATOM 0 HG1 THR A 64 -5.705 7.502 -3.982 1.00 0.00 H new ATOM 0 HG21 THR A 64 -5.606 6.511 -6.182 1.00 0.00 H new ATOM 0 HG22 THR A 64 -4.895 4.883 -6.282 1.00 0.00 H new ATOM 0 HG23 THR A 64 -6.487 5.113 -5.521 1.00 0.00 H new ATOM 948 N TYR A 65 -3.429 4.798 -1.549 1.00 0.00 N ATOM 949 CA TYR A 65 -2.193 4.802 -0.715 1.00 0.00 C ATOM 950 C TYR A 65 -1.710 3.374 -0.451 1.00 0.00 C ATOM 951 O TYR A 65 -0.575 3.033 -0.719 1.00 0.00 O ATOM 952 CB TYR A 65 -2.605 5.473 0.594 1.00 0.00 C ATOM 953 CG TYR A 65 -1.369 5.868 1.365 1.00 0.00 C ATOM 954 CD1 TYR A 65 -0.716 4.926 2.168 1.00 0.00 C ATOM 955 CD2 TYR A 65 -0.873 7.174 1.274 1.00 0.00 C ATOM 956 CE1 TYR A 65 0.432 5.288 2.880 1.00 0.00 C ATOM 957 CE2 TYR A 65 0.275 7.537 1.987 1.00 0.00 C ATOM 958 CZ TYR A 65 0.928 6.595 2.790 1.00 0.00 C ATOM 959 OH TYR A 65 2.060 6.953 3.493 1.00 0.00 O ATOM 0 H TYR A 65 -4.273 5.122 -1.077 1.00 0.00 H new ATOM 0 HA TYR A 65 -1.372 5.323 -1.208 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -3.215 6.352 0.388 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -3.216 4.793 1.188 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -1.099 3.919 2.238 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -1.376 7.901 0.654 1.00 0.00 H new ATOM 0 HE1 TYR A 65 0.936 4.560 3.499 1.00 0.00 H new ATOM 0 HE2 TYR A 65 0.657 8.545 1.918 1.00 0.00 H new ATOM 0 HH TYR A 65 2.269 7.894 3.319 1.00 0.00 H new ATOM 969 N TYR A 66 -2.557 2.540 0.087 1.00 0.00 N ATOM 970 CA TYR A 66 -2.136 1.138 0.382 1.00 0.00 C ATOM 971 C TYR A 66 -2.225 0.264 -0.871 1.00 0.00 C ATOM 972 O TYR A 66 -1.743 -0.853 -0.895 1.00 0.00 O ATOM 973 CB TYR A 66 -3.105 0.656 1.458 1.00 0.00 C ATOM 974 CG TYR A 66 -2.559 1.044 2.809 1.00 0.00 C ATOM 975 CD1 TYR A 66 -1.682 0.183 3.481 1.00 0.00 C ATOM 976 CD2 TYR A 66 -2.918 2.267 3.385 1.00 0.00 C ATOM 977 CE1 TYR A 66 -1.166 0.547 4.730 1.00 0.00 C ATOM 978 CE2 TYR A 66 -2.401 2.632 4.634 1.00 0.00 C ATOM 979 CZ TYR A 66 -1.524 1.771 5.306 1.00 0.00 C ATOM 980 OH TYR A 66 -1.014 2.130 6.537 1.00 0.00 O ATOM 0 H TYR A 66 -3.520 2.766 0.335 1.00 0.00 H new ATOM 0 HA TYR A 66 -1.099 1.083 0.713 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -4.089 1.100 1.307 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -3.230 -0.425 1.397 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -1.404 -0.761 3.036 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -3.594 2.930 2.866 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -0.491 -0.117 5.250 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -2.678 3.576 5.079 1.00 0.00 H new ATOM 0 HH TYR A 66 -1.362 3.010 6.791 1.00 0.00 H new ATOM 990 N SER A 67 -2.817 0.765 -1.920 1.00 0.00 N ATOM 991 CA SER A 67 -2.909 -0.042 -3.169 1.00 0.00 C ATOM 992 C SER A 67 -1.532 -0.626 -3.494 1.00 0.00 C ATOM 993 O SER A 67 -1.412 -1.626 -4.175 1.00 0.00 O ATOM 994 CB SER A 67 -3.340 0.952 -4.247 1.00 0.00 C ATOM 995 OG SER A 67 -4.008 0.254 -5.289 1.00 0.00 O ATOM 0 H SER A 67 -3.239 1.693 -1.967 1.00 0.00 H new ATOM 0 HA SER A 67 -3.607 -0.875 -3.087 1.00 0.00 H new ATOM 0 HB2 SER A 67 -3.999 1.707 -3.819 1.00 0.00 H new ATOM 0 HB3 SER A 67 -2.470 1.476 -4.644 1.00 0.00 H new ATOM 0 HG SER A 67 -4.287 0.889 -5.981 1.00 0.00 H new ATOM 1001 N ALA A 68 -0.492 -0.002 -3.006 1.00 0.00 N ATOM 1002 CA ALA A 68 0.884 -0.504 -3.276 1.00 0.00 C ATOM 1003 C ALA A 68 1.114 -1.850 -2.579 1.00 0.00 C ATOM 1004 O ALA A 68 1.193 -2.879 -3.220 1.00 0.00 O ATOM 1005 CB ALA A 68 1.811 0.565 -2.696 1.00 0.00 C ATOM 0 H ALA A 68 -0.539 0.838 -2.429 1.00 0.00 H new ATOM 0 HA ALA A 68 1.060 -0.670 -4.339 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.849 0.271 -2.854 1.00 0.00 H new ATOM 0 HB2 ALA A 68 1.624 1.517 -3.193 1.00 0.00 H new ATOM 0 HB3 ALA A 68 1.622 0.670 -1.628 1.00 0.00 H new ATOM 1011 N VAL A 69 1.231 -1.856 -1.273 1.00 0.00 N ATOM 1012 CA VAL A 69 1.464 -3.148 -0.559 1.00 0.00 C ATOM 1013 C VAL A 69 0.555 -4.228 -1.141 1.00 0.00 C ATOM 1014 O VAL A 69 0.888 -5.395 -1.152 1.00 0.00 O ATOM 1015 CB VAL A 69 1.130 -2.879 0.916 1.00 0.00 C ATOM 1016 CG1 VAL A 69 -0.375 -2.701 1.100 1.00 0.00 C ATOM 1017 CG2 VAL A 69 1.604 -4.052 1.772 1.00 0.00 C ATOM 0 H VAL A 69 1.176 -1.030 -0.677 1.00 0.00 H new ATOM 0 HA VAL A 69 2.490 -3.500 -0.666 1.00 0.00 H new ATOM 0 HB VAL A 69 1.637 -1.965 1.225 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.593 -2.511 2.151 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.718 -1.858 0.500 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.890 -3.607 0.780 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.366 -3.859 2.818 1.00 0.00 H new ATOM 0 HG22 VAL A 69 1.103 -4.964 1.448 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.682 -4.171 1.661 1.00 0.00 H new ATOM 1027 N CYS A 70 -0.587 -3.843 -1.641 1.00 0.00 N ATOM 1028 CA CYS A 70 -1.515 -4.844 -2.235 1.00 0.00 C ATOM 1029 C CYS A 70 -0.860 -5.521 -3.440 1.00 0.00 C ATOM 1030 O CYS A 70 -0.699 -6.725 -3.478 1.00 0.00 O ATOM 1031 CB CYS A 70 -2.735 -4.037 -2.672 1.00 0.00 C ATOM 1032 SG CYS A 70 -4.122 -4.414 -1.577 1.00 0.00 S ATOM 0 H CYS A 70 -0.917 -2.878 -1.663 1.00 0.00 H new ATOM 0 HA CYS A 70 -1.778 -5.634 -1.532 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -2.511 -2.971 -2.640 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -2.995 -4.278 -3.703 1.00 0.00 H new ATOM 1037 N GLY A 71 -0.479 -4.757 -4.428 1.00 0.00 N ATOM 1038 CA GLY A 71 0.165 -5.356 -5.631 1.00 0.00 C ATOM 1039 C GLY A 71 -0.879 -5.537 -6.733 1.00 0.00 C ATOM 1040 O GLY A 71 -1.694 -4.669 -6.976 1.00 0.00 O ATOM 0 H GLY A 71 -0.586 -3.743 -4.453 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.972 -4.713 -5.982 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.611 -6.318 -5.377 1.00 0.00 H new ATOM 1044 N ARG A 72 -0.863 -6.656 -7.403 1.00 0.00 N ATOM 1045 CA ARG A 72 -1.860 -6.887 -8.488 1.00 0.00 C ATOM 1046 C ARG A 72 -3.267 -6.570 -7.978 1.00 0.00 C ATOM 1047 O ARG A 72 -4.143 -6.199 -8.734 1.00 0.00 O ATOM 1048 CB ARG A 72 -1.734 -8.371 -8.835 1.00 0.00 C ATOM 1049 CG ARG A 72 -0.832 -8.537 -10.059 1.00 0.00 C ATOM 1050 CD ARG A 72 -1.439 -9.576 -11.003 1.00 0.00 C ATOM 1051 NE ARG A 72 -0.693 -9.417 -12.283 1.00 0.00 N ATOM 1052 CZ ARG A 72 0.611 -9.481 -12.292 1.00 0.00 C ATOM 1053 NH1 ARG A 72 1.207 -10.640 -12.355 1.00 0.00 N ATOM 1054 NH2 ARG A 72 1.319 -8.387 -12.240 1.00 0.00 N ATOM 0 H ARG A 72 -0.205 -7.419 -7.247 1.00 0.00 H new ATOM 0 HA ARG A 72 -1.684 -6.253 -9.357 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -1.320 -8.919 -7.989 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -2.719 -8.793 -9.037 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -0.721 -7.583 -10.574 1.00 0.00 H new ATOM 0 HG3 ARG A 72 0.165 -8.850 -9.749 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -1.328 -10.584 -10.604 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -2.506 -9.405 -11.144 1.00 0.00 H new ATOM 0 HE ARG A 72 -1.201 -9.258 -13.153 1.00 0.00 H new ATOM 0 HH11 ARG A 72 0.654 -11.496 -12.397 1.00 0.00 H new ATOM 0 HH12 ARG A 72 2.226 -10.690 -12.362 1.00 0.00 H new ATOM 0 HH21 ARG A 72 0.854 -7.480 -12.192 1.00 0.00 H new ATOM 0 HH22 ARG A 72 2.338 -8.438 -12.247 1.00 0.00 H new ATOM 1068 N TYR A 73 -3.489 -6.710 -6.700 1.00 0.00 N ATOM 1069 CA TYR A 73 -4.838 -6.413 -6.138 1.00 0.00 C ATOM 1070 C TYR A 73 -4.894 -4.970 -5.638 1.00 0.00 C ATOM 1071 O TYR A 73 -3.921 -4.243 -5.689 1.00 0.00 O ATOM 1072 CB TYR A 73 -5.004 -7.374 -4.957 1.00 0.00 C ATOM 1073 CG TYR A 73 -5.198 -8.793 -5.445 1.00 0.00 C ATOM 1074 CD1 TYR A 73 -5.244 -9.076 -6.817 1.00 0.00 C ATOM 1075 CD2 TYR A 73 -5.331 -9.830 -4.514 1.00 0.00 C ATOM 1076 CE1 TYR A 73 -5.423 -10.395 -7.253 1.00 0.00 C ATOM 1077 CE2 TYR A 73 -5.510 -11.148 -4.951 1.00 0.00 C ATOM 1078 CZ TYR A 73 -5.556 -11.430 -6.320 1.00 0.00 C ATOM 1079 OH TYR A 73 -5.731 -12.728 -6.751 1.00 0.00 O ATOM 0 H TYR A 73 -2.794 -7.018 -6.020 1.00 0.00 H new ATOM 0 HA TYR A 73 -5.623 -6.535 -6.884 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.126 -7.322 -4.314 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -5.860 -7.072 -4.353 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -5.142 -8.278 -7.537 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -5.295 -9.613 -3.457 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -5.458 -10.614 -8.310 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -5.613 -11.947 -4.231 1.00 0.00 H new ATOM 0 HH TYR A 73 -5.805 -13.323 -5.976 1.00 0.00 H new ATOM 1089 N PHE A 74 -6.022 -4.558 -5.132 1.00 0.00 N ATOM 1090 CA PHE A 74 -6.143 -3.171 -4.603 1.00 0.00 C ATOM 1091 C PHE A 74 -6.576 -3.223 -3.142 1.00 0.00 C ATOM 1092 O PHE A 74 -7.449 -3.982 -2.775 1.00 0.00 O ATOM 1093 CB PHE A 74 -7.234 -2.500 -5.434 1.00 0.00 C ATOM 1094 CG PHE A 74 -7.002 -2.762 -6.897 1.00 0.00 C ATOM 1095 CD1 PHE A 74 -5.736 -2.558 -7.453 1.00 0.00 C ATOM 1096 CD2 PHE A 74 -8.059 -3.202 -7.697 1.00 0.00 C ATOM 1097 CE1 PHE A 74 -5.527 -2.798 -8.816 1.00 0.00 C ATOM 1098 CE2 PHE A 74 -7.853 -3.443 -9.058 1.00 0.00 C ATOM 1099 CZ PHE A 74 -6.586 -3.241 -9.619 1.00 0.00 C ATOM 0 H PHE A 74 -6.868 -5.123 -5.062 1.00 0.00 H new ATOM 0 HA PHE A 74 -5.199 -2.630 -4.663 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -8.212 -2.880 -5.139 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -7.238 -1.427 -5.245 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -4.921 -2.216 -6.832 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -9.036 -3.356 -7.263 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -4.550 -2.642 -9.248 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -8.670 -3.785 -9.676 1.00 0.00 H new ATOM 0 HZ PHE A 74 -6.425 -3.427 -10.671 1.00 0.00 H new ATOM 1109 N CYS A 75 -5.992 -2.421 -2.304 1.00 0.00 N ATOM 1110 CA CYS A 75 -6.404 -2.440 -0.878 1.00 0.00 C ATOM 1111 C CYS A 75 -7.705 -1.656 -0.731 1.00 0.00 C ATOM 1112 O CYS A 75 -7.717 -0.441 -0.763 1.00 0.00 O ATOM 1113 CB CYS A 75 -5.262 -1.759 -0.123 1.00 0.00 C ATOM 1114 SG CYS A 75 -5.814 -1.323 1.545 1.00 0.00 S ATOM 0 H CYS A 75 -5.254 -1.758 -2.541 1.00 0.00 H new ATOM 0 HA CYS A 75 -6.582 -3.445 -0.495 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -4.400 -2.424 -0.070 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -4.942 -0.864 -0.657 1.00 0.00 H new ATOM 1119 N CYS A 76 -8.810 -2.337 -0.593 1.00 0.00 N ATOM 1120 CA CYS A 76 -10.100 -1.612 -0.468 1.00 0.00 C ATOM 1121 C CYS A 76 -10.277 -1.096 0.958 1.00 0.00 C ATOM 1122 O CYS A 76 -9.608 -1.528 1.875 1.00 0.00 O ATOM 1123 CB CYS A 76 -11.177 -2.639 -0.810 1.00 0.00 C ATOM 1124 SG CYS A 76 -10.725 -3.507 -2.331 1.00 0.00 S ATOM 0 H CYS A 76 -8.873 -3.355 -0.562 1.00 0.00 H new ATOM 0 HA CYS A 76 -10.150 -0.745 -1.127 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -11.288 -3.351 0.008 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -12.140 -2.144 -0.934 1.00 0.00 H new ATOM 1129 N ARG A 77 -11.169 -0.170 1.145 1.00 0.00 N ATOM 1130 CA ARG A 77 -11.390 0.385 2.509 1.00 0.00 C ATOM 1131 C ARG A 77 -12.759 1.059 2.591 1.00 0.00 C ATOM 1132 O ARG A 77 -13.572 0.952 1.693 1.00 0.00 O ATOM 1133 CB ARG A 77 -10.283 1.421 2.698 1.00 0.00 C ATOM 1134 CG ARG A 77 -9.106 0.790 3.439 1.00 0.00 C ATOM 1135 CD ARG A 77 -8.110 1.884 3.826 1.00 0.00 C ATOM 1136 NE ARG A 77 -8.793 2.663 4.894 1.00 0.00 N ATOM 1137 CZ ARG A 77 -8.182 3.665 5.463 1.00 0.00 C ATOM 1138 NH1 ARG A 77 -7.590 4.568 4.730 1.00 0.00 N ATOM 1139 NH2 ARG A 77 -8.162 3.767 6.764 1.00 0.00 N ATOM 0 H ARG A 77 -11.757 0.229 0.413 1.00 0.00 H new ATOM 0 HA ARG A 77 -11.366 -0.390 3.276 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -9.955 1.797 1.729 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -10.663 2.275 3.260 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -9.458 0.271 4.330 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -8.620 0.046 2.808 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -7.174 1.457 4.186 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -7.865 2.515 2.972 1.00 0.00 H new ATOM 0 HE ARG A 77 -9.739 2.413 5.181 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -7.605 4.490 3.713 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -7.112 5.352 5.174 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -8.625 3.062 7.338 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -7.684 4.551 7.207 1.00 0.00 H new ATOM 1153 N SER A 78 -13.016 1.760 3.659 1.00 0.00 N ATOM 1154 CA SER A 78 -14.329 2.449 3.797 1.00 0.00 C ATOM 1155 C SER A 78 -14.120 3.954 3.979 1.00 0.00 C ATOM 1156 O SER A 78 -13.563 4.399 4.963 1.00 0.00 O ATOM 1157 CB SER A 78 -14.968 1.839 5.045 1.00 0.00 C ATOM 1158 OG SER A 78 -13.946 1.433 5.945 1.00 0.00 O ATOM 0 H SER A 78 -12.374 1.886 4.442 1.00 0.00 H new ATOM 0 HA SER A 78 -14.957 2.321 2.915 1.00 0.00 H new ATOM 0 HB2 SER A 78 -15.623 2.566 5.525 1.00 0.00 H new ATOM 0 HB3 SER A 78 -15.587 0.985 4.770 1.00 0.00 H new ATOM 0 HG SER A 78 -14.352 1.043 6.747 1.00 0.00 H new ATOM 1164 N ARG A 79 -14.561 4.739 3.036 1.00 0.00 N ATOM 1165 CA ARG A 79 -14.386 6.215 3.152 1.00 0.00 C ATOM 1166 C ARG A 79 -15.402 6.791 4.142 1.00 0.00 C ATOM 1167 O ARG A 79 -15.200 6.623 5.333 1.00 0.00 O ATOM 1168 CB ARG A 79 -14.642 6.755 1.745 1.00 0.00 C ATOM 1169 CG ARG A 79 -13.884 8.070 1.557 1.00 0.00 C ATOM 1170 CD ARG A 79 -14.676 8.986 0.620 1.00 0.00 C ATOM 1171 NE ARG A 79 -13.745 9.279 -0.505 1.00 0.00 N ATOM 1172 CZ ARG A 79 -14.143 9.123 -1.739 1.00 0.00 C ATOM 1173 NH1 ARG A 79 -14.221 7.926 -2.252 1.00 0.00 N ATOM 1174 NH2 ARG A 79 -14.463 10.164 -2.458 1.00 0.00 N ATOM 1175 OXT ARG A 79 -16.364 7.391 3.692 1.00 0.00 O ATOM 0 H ARG A 79 -15.035 4.423 2.190 1.00 0.00 H new ATOM 0 HA ARG A 79 -13.396 6.487 3.519 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -14.319 6.027 1.000 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -15.710 6.914 1.594 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -13.736 8.558 2.520 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -12.895 7.876 1.143 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -15.584 8.498 0.265 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -14.983 9.901 1.128 1.00 0.00 H new ATOM 0 HE ARG A 79 -12.797 9.601 -0.312 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -13.971 7.113 -1.689 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -14.532 7.803 -3.216 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -14.402 11.100 -2.056 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -14.774 10.042 -3.422 1.00 0.00 H new TER 1189 ARG A 79