USER MOD reduce.3.24.130724 H: found=0, std=0, add=585, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 586 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 NoAdj : A 22 ASNHD21 : A 22 ASN OD1 : A 101 CACA :(metal ligand) USER MOD NoAdj : A 22 ASNHD22 : A 22 ASN OD1 : A 101 CACA :(metal ligand) USER MOD NoAdj : A 65 ASNHD21 : A 65 ASN OD1 : A 102 CACA :(metal ligand) USER MOD NoAdj : A 65 ASNHD22 : A 65 ASN OD1 : A 102 CACA :(metal ligand) USER MOD Set 1.1: A 70 TYR OH : rot -59:sc= 0.269 USER MOD Set 1.2: A 85 SER OG : rot 95:sc= -2.75! USER MOD Set 2.1: A 41 MET CE :methyl -162:sc=-0.000831 (180deg=-0.506) USER MOD Set 2.2: A 42 MET CE :methyl 165:sc= -1.59 (180deg=-2.14) USER MOD Set 3.1: A 19 GLN : amide:sc= -1.15 K(o=-4.2,f=-2.6) USER MOD Set 3.2: A 30 LYS NZ :NH3+ -158:sc= -3.08! (180deg=-2.48!) USER MOD Single : A 3 THR OG1 : rot -26:sc= 0.617 USER MOD Single : A 11 SER OG : rot 180:sc= -2.15! USER MOD Single : A 23 THR OG1 : rot 88:sc= -3.74! USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot -49:sc= -2.59! USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 175:sc= -0.66 (180deg=-0.83) USER MOD Single : A 44 ASN : amide:sc= -1.83! C(o=-1.8!,f=-3.1!) USER MOD Single : A 46 MET CE :methyl -173:sc= -5.19! (180deg=-5.42!) USER MOD Single : A 52 GLN : amide:sc= -0.0387 X(o=-0.039,f=-0.33) USER MOD Single : A 64 HIS : no HE2:sc= -7.42! C(o=-7.4!,f=-9!) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.598 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 78 HIS : no HD1:sc= -3.78! C(o=-3.8!,f=-5.7!) USER MOD Single : A 79 GLN : amide:sc= -5.34! C(o=-5.3!,f=-2.8!) USER MOD Single : A 81 SER OG : rot 130:sc= -6.87! USER MOD Single : A 83 ASN : amide:sc= 0.154 X(o=0.15,f=-0.046) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 3 -9.154 25.455 -11.453 1.00 0.00 N ATOM 2 CA THR A 3 -8.357 25.617 -12.663 1.00 0.00 C ATOM 3 C THR A 3 -7.379 24.461 -12.837 1.00 0.00 C ATOM 4 O THR A 3 -7.698 23.455 -13.472 1.00 0.00 O ATOM 5 CB THR A 3 -7.569 26.941 -12.643 1.00 0.00 C ATOM 6 OG1 THR A 3 -6.969 27.134 -11.356 1.00 0.00 O ATOM 7 CG2 THR A 3 -8.478 28.116 -12.964 1.00 0.00 C ATOM 0 HA THR A 3 -9.054 25.629 -13.501 1.00 0.00 H new ATOM 0 HB THR A 3 -6.790 26.886 -13.403 1.00 0.00 H new ATOM 0 HG1 THR A 3 -7.486 26.651 -10.678 1.00 0.00 H new ATOM 0 HG21 THR A 3 -7.900 29.040 -12.944 1.00 0.00 H new ATOM 0 HG22 THR A 3 -8.911 27.981 -13.955 1.00 0.00 H new ATOM 0 HG23 THR A 3 -9.276 28.172 -12.224 1.00 0.00 H new ATOM 15 N ASP A 4 -6.186 24.610 -12.269 1.00 0.00 N ATOM 16 CA ASP A 4 -5.161 23.576 -12.361 1.00 0.00 C ATOM 17 C ASP A 4 -3.844 24.062 -11.763 1.00 0.00 C ATOM 18 O ASP A 4 -3.089 24.788 -12.408 1.00 0.00 O ATOM 19 CB ASP A 4 -4.952 23.166 -13.820 1.00 0.00 C ATOM 20 CG ASP A 4 -3.662 22.395 -14.025 1.00 0.00 C ATOM 21 OD1 ASP A 4 -3.070 21.951 -13.018 1.00 0.00 O ATOM 22 OD2 ASP A 4 -3.244 22.236 -15.190 1.00 0.00 O ATOM 0 H ASP A 4 -5.906 25.436 -11.741 1.00 0.00 H new ATOM 0 HA ASP A 4 -5.500 22.710 -11.792 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -5.793 22.555 -14.147 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -4.943 24.057 -14.447 1.00 0.00 H new ATOM 27 N ILE A 5 -3.577 23.655 -10.527 1.00 0.00 N ATOM 28 CA ILE A 5 -2.353 24.048 -9.841 1.00 0.00 C ATOM 29 C ILE A 5 -1.237 23.034 -10.099 1.00 0.00 C ATOM 30 O ILE A 5 -1.341 22.202 -11.000 1.00 0.00 O ATOM 31 CB ILE A 5 -2.600 24.222 -8.320 1.00 0.00 C ATOM 32 CG1 ILE A 5 -1.901 25.484 -7.814 1.00 0.00 C ATOM 33 CG2 ILE A 5 -2.150 23.001 -7.523 1.00 0.00 C ATOM 34 CD1 ILE A 5 -2.347 26.741 -8.525 1.00 0.00 C ATOM 0 H ILE A 5 -4.192 23.053 -9.980 1.00 0.00 H new ATOM 0 HA ILE A 5 -2.036 25.011 -10.242 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.675 24.324 -8.170 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -2.090 25.592 -6.746 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -0.824 25.368 -7.937 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -2.342 23.167 -6.463 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -2.703 22.124 -7.859 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -1.083 22.839 -7.677 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -1.812 27.599 -8.117 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -2.133 26.652 -9.590 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -3.419 26.880 -8.381 1.00 0.00 H new ATOM 46 N ASP A 6 -0.170 23.107 -9.308 1.00 0.00 N ATOM 47 CA ASP A 6 0.954 22.193 -9.463 1.00 0.00 C ATOM 48 C ASP A 6 0.789 20.962 -8.581 1.00 0.00 C ATOM 49 O ASP A 6 0.942 19.830 -9.038 1.00 0.00 O ATOM 50 CB ASP A 6 2.269 22.893 -9.120 1.00 0.00 C ATOM 51 CG ASP A 6 3.461 21.967 -9.253 1.00 0.00 C ATOM 52 OD1 ASP A 6 3.338 20.782 -8.873 1.00 0.00 O ATOM 53 OD2 ASP A 6 4.518 22.424 -9.736 1.00 0.00 O ATOM 0 H ASP A 6 -0.062 23.788 -8.556 1.00 0.00 H new ATOM 0 HA ASP A 6 0.976 21.875 -10.505 1.00 0.00 H new ATOM 0 HB2 ASP A 6 2.403 23.752 -9.777 1.00 0.00 H new ATOM 0 HB3 ASP A 6 2.220 23.276 -8.101 1.00 0.00 H new ATOM 58 N GLU A 7 0.485 21.194 -7.311 1.00 0.00 N ATOM 59 CA GLU A 7 0.307 20.112 -6.354 1.00 0.00 C ATOM 60 C GLU A 7 1.648 19.466 -6.016 1.00 0.00 C ATOM 61 O GLU A 7 2.031 19.390 -4.848 1.00 0.00 O ATOM 62 CB GLU A 7 -0.660 19.064 -6.905 1.00 0.00 C ATOM 63 CG GLU A 7 -2.021 19.626 -7.290 1.00 0.00 C ATOM 64 CD GLU A 7 -2.146 19.868 -8.782 1.00 0.00 C ATOM 65 OE1 GLU A 7 -1.291 19.361 -9.537 1.00 0.00 O ATOM 66 OE2 GLU A 7 -3.100 20.561 -9.196 1.00 0.00 O ATOM 0 H GLU A 7 0.356 22.127 -6.919 1.00 0.00 H new ATOM 0 HA GLU A 7 -0.115 20.531 -5.441 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -0.211 18.593 -7.780 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -0.798 18.282 -6.158 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -2.800 18.934 -6.970 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -2.188 20.562 -6.758 1.00 0.00 H new ATOM 73 N CYS A 8 2.364 19.012 -7.041 1.00 0.00 N ATOM 74 CA CYS A 8 3.665 18.389 -6.838 1.00 0.00 C ATOM 75 C CYS A 8 4.631 19.377 -6.199 1.00 0.00 C ATOM 76 O CYS A 8 5.560 18.985 -5.494 1.00 0.00 O ATOM 77 CB CYS A 8 4.229 17.882 -8.167 1.00 0.00 C ATOM 78 SG CYS A 8 3.383 16.403 -8.819 1.00 0.00 S ATOM 0 H CYS A 8 2.066 19.064 -8.015 1.00 0.00 H new ATOM 0 HA CYS A 8 3.540 17.539 -6.167 1.00 0.00 H new ATOM 0 HB2 CYS A 8 4.163 18.681 -8.906 1.00 0.00 H new ATOM 0 HB3 CYS A 8 5.287 17.655 -8.037 1.00 0.00 H new ATOM 83 N ARG A 9 4.396 20.664 -6.440 1.00 0.00 N ATOM 84 CA ARG A 9 5.238 21.710 -5.876 1.00 0.00 C ATOM 85 C ARG A 9 5.154 21.689 -4.357 1.00 0.00 C ATOM 86 O ARG A 9 6.125 21.995 -3.664 1.00 0.00 O ATOM 87 CB ARG A 9 4.815 23.082 -6.402 1.00 0.00 C ATOM 88 CG ARG A 9 5.986 23.968 -6.794 1.00 0.00 C ATOM 89 CD ARG A 9 5.719 24.691 -8.104 1.00 0.00 C ATOM 90 NE ARG A 9 6.257 26.049 -8.099 1.00 0.00 N ATOM 91 CZ ARG A 9 5.822 27.011 -7.292 1.00 0.00 C ATOM 92 NH1 ARG A 9 4.846 26.765 -6.429 1.00 0.00 N ATOM 93 NH2 ARG A 9 6.363 28.221 -7.347 1.00 0.00 N ATOM 0 H ARG A 9 3.630 21.005 -7.021 1.00 0.00 H new ATOM 0 HA ARG A 9 6.268 21.523 -6.178 1.00 0.00 H new ATOM 0 HB2 ARG A 9 4.166 22.946 -7.268 1.00 0.00 H new ATOM 0 HB3 ARG A 9 4.225 23.589 -5.638 1.00 0.00 H new ATOM 0 HG2 ARG A 9 6.173 24.697 -6.006 1.00 0.00 H new ATOM 0 HG3 ARG A 9 6.887 23.362 -6.888 1.00 0.00 H new ATOM 0 HD2 ARG A 9 6.162 24.128 -8.926 1.00 0.00 H new ATOM 0 HD3 ARG A 9 4.645 24.727 -8.286 1.00 0.00 H new ATOM 0 HE ARG A 9 7.009 26.271 -8.752 1.00 0.00 H new ATOM 0 HH11 ARG A 9 4.428 25.836 -6.384 1.00 0.00 H new ATOM 0 HH12 ARG A 9 4.514 27.505 -5.810 1.00 0.00 H new ATOM 0 HH21 ARG A 9 7.114 28.414 -8.009 1.00 0.00 H new ATOM 0 HH22 ARG A 9 6.028 28.958 -6.727 1.00 0.00 H new ATOM 107 N ILE A 10 3.984 21.316 -3.844 1.00 0.00 N ATOM 108 CA ILE A 10 3.770 21.244 -2.407 1.00 0.00 C ATOM 109 C ILE A 10 4.939 20.547 -1.725 1.00 0.00 C ATOM 110 O ILE A 10 5.366 20.943 -0.641 1.00 0.00 O ATOM 111 CB ILE A 10 2.467 20.490 -2.075 1.00 0.00 C ATOM 112 CG1 ILE A 10 1.253 21.342 -2.445 1.00 0.00 C ATOM 113 CG2 ILE A 10 2.429 20.106 -0.603 1.00 0.00 C ATOM 114 CD1 ILE A 10 0.999 22.482 -1.483 1.00 0.00 C ATOM 0 H ILE A 10 3.172 21.060 -4.405 1.00 0.00 H new ATOM 0 HA ILE A 10 3.690 22.266 -2.037 1.00 0.00 H new ATOM 0 HB ILE A 10 2.437 19.573 -2.664 1.00 0.00 H new ATOM 0 HG12 ILE A 10 1.396 21.747 -3.447 1.00 0.00 H new ATOM 0 HG13 ILE A 10 0.370 20.705 -2.482 1.00 0.00 H new ATOM 0 HG21 ILE A 10 1.501 19.575 -0.389 1.00 0.00 H new ATOM 0 HG22 ILE A 10 3.277 19.461 -0.373 1.00 0.00 H new ATOM 0 HG23 ILE A 10 2.481 21.006 0.009 1.00 0.00 H new ATOM 0 HD11 ILE A 10 0.123 23.044 -1.808 1.00 0.00 H new ATOM 0 HD12 ILE A 10 0.825 22.083 -0.484 1.00 0.00 H new ATOM 0 HD13 ILE A 10 1.866 23.142 -1.464 1.00 0.00 H new ATOM 126 N SER A 11 5.443 19.500 -2.364 1.00 0.00 N ATOM 127 CA SER A 11 6.553 18.739 -1.817 1.00 0.00 C ATOM 128 C SER A 11 7.132 17.783 -2.856 1.00 0.00 C ATOM 129 O SER A 11 6.439 17.353 -3.778 1.00 0.00 O ATOM 130 CB SER A 11 6.086 17.953 -0.594 1.00 0.00 C ATOM 131 OG SER A 11 7.065 17.016 -0.181 1.00 0.00 O ATOM 0 H SER A 11 5.099 19.160 -3.262 1.00 0.00 H new ATOM 0 HA SER A 11 7.336 19.439 -1.526 1.00 0.00 H new ATOM 0 HB2 SER A 11 5.871 18.641 0.223 1.00 0.00 H new ATOM 0 HB3 SER A 11 5.157 17.433 -0.826 1.00 0.00 H new ATOM 0 HG SER A 11 6.740 16.528 0.605 1.00 0.00 H new ATOM 137 N PRO A 12 8.416 17.433 -2.703 1.00 0.00 N ATOM 138 CA PRO A 12 9.105 16.522 -3.600 1.00 0.00 C ATOM 139 C PRO A 12 8.958 15.080 -3.142 1.00 0.00 C ATOM 140 O PRO A 12 9.122 14.142 -3.922 1.00 0.00 O ATOM 141 CB PRO A 12 10.556 16.979 -3.487 1.00 0.00 C ATOM 142 CG PRO A 12 10.686 17.531 -2.101 1.00 0.00 C ATOM 143 CD PRO A 12 9.296 17.894 -1.623 1.00 0.00 C ATOM 0 HA PRO A 12 8.715 16.544 -4.618 1.00 0.00 H new ATOM 0 HB2 PRO A 12 11.244 16.149 -3.647 1.00 0.00 H new ATOM 0 HB3 PRO A 12 10.790 17.736 -4.236 1.00 0.00 H new ATOM 0 HG2 PRO A 12 11.140 16.796 -1.437 1.00 0.00 H new ATOM 0 HG3 PRO A 12 11.334 18.408 -2.097 1.00 0.00 H new ATOM 0 HD2 PRO A 12 9.058 17.404 -0.679 1.00 0.00 H new ATOM 0 HD3 PRO A 12 9.198 18.967 -1.459 1.00 0.00 H new ATOM 151 N ASP A 13 8.630 14.921 -1.865 1.00 0.00 N ATOM 152 CA ASP A 13 8.436 13.605 -1.281 1.00 0.00 C ATOM 153 C ASP A 13 6.950 13.350 -1.080 1.00 0.00 C ATOM 154 O ASP A 13 6.552 12.528 -0.257 1.00 0.00 O ATOM 155 CB ASP A 13 9.175 13.497 0.055 1.00 0.00 C ATOM 156 CG ASP A 13 9.452 14.853 0.675 1.00 0.00 C ATOM 157 OD1 ASP A 13 10.372 15.548 0.195 1.00 0.00 O ATOM 158 OD2 ASP A 13 8.749 15.219 1.640 1.00 0.00 O ATOM 0 H ASP A 13 8.493 15.694 -1.213 1.00 0.00 H new ATOM 0 HA ASP A 13 8.842 12.854 -1.959 1.00 0.00 H new ATOM 0 HB2 ASP A 13 8.583 12.898 0.747 1.00 0.00 H new ATOM 0 HB3 ASP A 13 10.117 12.970 -0.096 1.00 0.00 H new ATOM 163 N LEU A 14 6.137 14.078 -1.838 1.00 0.00 N ATOM 164 CA LEU A 14 4.687 13.949 -1.754 1.00 0.00 C ATOM 165 C LEU A 14 4.265 12.483 -1.667 1.00 0.00 C ATOM 166 O LEU A 14 3.430 12.116 -0.840 1.00 0.00 O ATOM 167 CB LEU A 14 4.027 14.611 -2.966 1.00 0.00 C ATOM 168 CG LEU A 14 2.929 15.624 -2.636 1.00 0.00 C ATOM 169 CD1 LEU A 14 3.114 16.894 -3.450 1.00 0.00 C ATOM 170 CD2 LEU A 14 1.555 15.023 -2.891 1.00 0.00 C ATOM 0 H LEU A 14 6.459 14.765 -2.519 1.00 0.00 H new ATOM 0 HA LEU A 14 4.358 14.452 -0.845 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.798 15.112 -3.551 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.602 13.832 -3.599 1.00 0.00 H new ATOM 0 HG LEU A 14 3.002 15.879 -1.579 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.324 17.603 -3.202 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.084 17.336 -3.220 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.067 16.655 -4.512 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.786 15.758 -2.651 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.471 14.739 -3.940 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.422 14.141 -2.265 1.00 0.00 H new ATOM 182 N CYS A 15 4.844 11.654 -2.527 1.00 0.00 N ATOM 183 CA CYS A 15 4.524 10.230 -2.552 1.00 0.00 C ATOM 184 C CYS A 15 5.309 9.464 -1.487 1.00 0.00 C ATOM 185 O CYS A 15 5.198 8.245 -1.378 1.00 0.00 O ATOM 186 CB CYS A 15 4.811 9.649 -3.934 1.00 0.00 C ATOM 187 SG CYS A 15 4.727 10.870 -5.283 1.00 0.00 S ATOM 0 H CYS A 15 5.538 11.942 -3.217 1.00 0.00 H new ATOM 0 HA CYS A 15 3.462 10.122 -2.331 1.00 0.00 H new ATOM 0 HB2 CYS A 15 5.803 9.197 -3.928 1.00 0.00 H new ATOM 0 HB3 CYS A 15 4.098 8.850 -4.136 1.00 0.00 H new ATOM 192 N GLY A 16 6.093 10.192 -0.699 1.00 0.00 N ATOM 193 CA GLY A 16 6.873 9.575 0.358 1.00 0.00 C ATOM 194 C GLY A 16 7.948 8.629 -0.150 1.00 0.00 C ATOM 195 O GLY A 16 8.629 7.983 0.645 1.00 0.00 O ATOM 0 H GLY A 16 6.202 11.203 -0.774 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.342 10.357 0.955 1.00 0.00 H new ATOM 0 HA3 GLY A 16 6.202 9.027 1.020 1.00 0.00 H new ATOM 199 N ARG A 17 8.107 8.544 -1.467 1.00 0.00 N ATOM 200 CA ARG A 17 9.117 7.663 -2.049 1.00 0.00 C ATOM 201 C ARG A 17 9.042 7.662 -3.573 1.00 0.00 C ATOM 202 O ARG A 17 10.050 7.854 -4.254 1.00 0.00 O ATOM 203 CB ARG A 17 8.945 6.234 -1.527 1.00 0.00 C ATOM 204 CG ARG A 17 9.975 5.259 -2.073 1.00 0.00 C ATOM 205 CD ARG A 17 11.261 5.302 -1.265 1.00 0.00 C ATOM 206 NE ARG A 17 11.459 4.083 -0.485 1.00 0.00 N ATOM 207 CZ ARG A 17 12.161 4.035 0.643 1.00 0.00 C ATOM 208 NH1 ARG A 17 12.731 5.135 1.118 1.00 0.00 N ATOM 209 NH2 ARG A 17 12.295 2.889 1.295 1.00 0.00 N ATOM 0 H ARG A 17 7.556 9.068 -2.147 1.00 0.00 H new ATOM 0 HA ARG A 17 10.095 8.043 -1.751 1.00 0.00 H new ATOM 0 HB2 ARG A 17 9.007 6.244 -0.439 1.00 0.00 H new ATOM 0 HB3 ARG A 17 7.948 5.879 -1.786 1.00 0.00 H new ATOM 0 HG2 ARG A 17 9.567 4.249 -2.056 1.00 0.00 H new ATOM 0 HG3 ARG A 17 10.189 5.499 -3.114 1.00 0.00 H new ATOM 0 HD2 ARG A 17 12.107 5.443 -1.938 1.00 0.00 H new ATOM 0 HD3 ARG A 17 11.239 6.161 -0.595 1.00 0.00 H new ATOM 0 HE ARG A 17 11.035 3.220 -0.825 1.00 0.00 H new ATOM 0 HH11 ARG A 17 12.631 6.018 0.618 1.00 0.00 H new ATOM 0 HH12 ARG A 17 13.269 5.097 1.983 1.00 0.00 H new ATOM 0 HH21 ARG A 17 11.859 2.041 0.932 1.00 0.00 H new ATOM 0 HH22 ARG A 17 12.834 2.855 2.160 1.00 0.00 H new ATOM 223 N GLY A 18 7.847 7.430 -4.099 1.00 0.00 N ATOM 224 CA GLY A 18 7.667 7.390 -5.539 1.00 0.00 C ATOM 225 C GLY A 18 7.927 8.725 -6.210 1.00 0.00 C ATOM 226 O GLY A 18 8.954 9.359 -5.967 1.00 0.00 O ATOM 0 H GLY A 18 6.999 7.269 -3.556 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.337 6.641 -5.962 1.00 0.00 H new ATOM 0 HA3 GLY A 18 6.649 7.070 -5.763 1.00 0.00 H new ATOM 230 N GLN A 19 7.000 9.147 -7.067 1.00 0.00 N ATOM 231 CA GLN A 19 7.144 10.411 -7.788 1.00 0.00 C ATOM 232 C GLN A 19 5.786 11.058 -8.055 1.00 0.00 C ATOM 233 O GLN A 19 4.916 10.459 -8.686 1.00 0.00 O ATOM 234 CB GLN A 19 7.874 10.176 -9.110 1.00 0.00 C ATOM 235 CG GLN A 19 8.974 9.130 -9.019 1.00 0.00 C ATOM 236 CD GLN A 19 10.113 9.399 -9.982 1.00 0.00 C ATOM 237 OE1 GLN A 19 10.635 10.511 -10.051 1.00 0.00 O ATOM 238 NE2 GLN A 19 10.507 8.376 -10.731 1.00 0.00 N ATOM 0 H GLN A 19 6.144 8.635 -7.279 1.00 0.00 H new ATOM 0 HA GLN A 19 7.726 11.090 -7.164 1.00 0.00 H new ATOM 0 HB2 GLN A 19 7.151 9.867 -9.865 1.00 0.00 H new ATOM 0 HB3 GLN A 19 8.306 11.117 -9.449 1.00 0.00 H new ATOM 0 HG2 GLN A 19 9.362 9.104 -8.001 1.00 0.00 H new ATOM 0 HG3 GLN A 19 8.553 8.146 -9.225 1.00 0.00 H new ATOM 0 HE21 GLN A 19 10.046 7.471 -10.641 1.00 0.00 H new ATOM 0 HE22 GLN A 19 11.271 8.495 -11.396 1.00 0.00 H new ATOM 247 N CYS A 20 5.613 12.284 -7.569 1.00 0.00 N ATOM 248 CA CYS A 20 4.360 13.011 -7.750 1.00 0.00 C ATOM 249 C CYS A 20 4.135 13.387 -9.212 1.00 0.00 C ATOM 250 O CYS A 20 5.071 13.411 -10.012 1.00 0.00 O ATOM 251 CB CYS A 20 4.349 14.272 -6.885 1.00 0.00 C ATOM 252 SG CYS A 20 2.901 15.344 -7.155 1.00 0.00 S ATOM 0 H CYS A 20 6.325 12.795 -7.047 1.00 0.00 H new ATOM 0 HA CYS A 20 3.549 12.351 -7.441 1.00 0.00 H new ATOM 0 HB2 CYS A 20 4.381 13.980 -5.835 1.00 0.00 H new ATOM 0 HB3 CYS A 20 5.255 14.845 -7.085 1.00 0.00 H new ATOM 257 N VAL A 21 2.883 13.686 -9.549 1.00 0.00 N ATOM 258 CA VAL A 21 2.518 14.069 -10.908 1.00 0.00 C ATOM 259 C VAL A 21 1.468 15.178 -10.894 1.00 0.00 C ATOM 260 O VAL A 21 0.834 15.431 -9.871 1.00 0.00 O ATOM 261 CB VAL A 21 1.974 12.865 -11.705 1.00 0.00 C ATOM 262 CG1 VAL A 21 1.266 13.328 -12.972 1.00 0.00 C ATOM 263 CG2 VAL A 21 3.098 11.897 -12.039 1.00 0.00 C ATOM 0 H VAL A 21 2.101 13.670 -8.894 1.00 0.00 H new ATOM 0 HA VAL A 21 3.423 14.432 -11.395 1.00 0.00 H new ATOM 0 HB VAL A 21 1.245 12.345 -11.083 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.891 12.461 -13.517 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.432 13.978 -12.706 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.967 13.877 -13.601 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.697 11.054 -12.601 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.852 12.407 -12.639 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.552 11.535 -11.117 1.00 0.00 H new ATOM 273 N ASN A 22 1.292 15.837 -12.036 1.00 0.00 N ATOM 274 CA ASN A 22 0.322 16.919 -12.150 1.00 0.00 C ATOM 275 C ASN A 22 -0.917 16.476 -12.925 1.00 0.00 C ATOM 276 O ASN A 22 -0.841 15.605 -13.791 1.00 0.00 O ATOM 277 CB ASN A 22 0.954 18.126 -12.840 1.00 0.00 C ATOM 278 CG ASN A 22 0.175 19.398 -12.587 1.00 0.00 C ATOM 279 OD1 ASN A 22 -0.470 19.938 -13.487 1.00 0.00 O ATOM 280 ND2 ASN A 22 0.227 19.883 -11.355 1.00 0.00 N ATOM 0 H ASN A 22 1.808 15.640 -12.894 1.00 0.00 H new ATOM 0 HA ASN A 22 0.015 17.196 -11.141 1.00 0.00 H new ATOM 0 HB2 ASN A 22 1.977 18.251 -12.485 1.00 0.00 H new ATOM 0 HB3 ASN A 22 1.009 17.942 -13.913 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -0.280 20.737 -11.121 1.00 0.00 H new ATOM 0 HD22 ASN A 22 0.774 19.403 -10.641 1.00 0.00 H new ATOM 287 N THR A 23 -2.055 17.091 -12.610 1.00 0.00 N ATOM 288 CA THR A 23 -3.310 16.769 -13.280 1.00 0.00 C ATOM 289 C THR A 23 -4.265 17.958 -13.246 1.00 0.00 C ATOM 290 O THR A 23 -4.276 18.730 -12.287 1.00 0.00 O ATOM 291 CB THR A 23 -4.002 15.552 -12.634 1.00 0.00 C ATOM 292 OG1 THR A 23 -4.698 15.955 -11.449 1.00 0.00 O ATOM 293 CG2 THR A 23 -2.988 14.472 -12.291 1.00 0.00 C ATOM 0 H THR A 23 -2.132 17.815 -11.895 1.00 0.00 H new ATOM 0 HA THR A 23 -3.064 16.527 -14.314 1.00 0.00 H new ATOM 0 HB THR A 23 -4.714 15.144 -13.351 1.00 0.00 H new ATOM 0 HG1 THR A 23 -5.604 16.244 -11.684 1.00 0.00 H new ATOM 0 HG21 THR A 23 -3.500 13.624 -11.837 1.00 0.00 H new ATOM 0 HG22 THR A 23 -2.482 14.146 -13.200 1.00 0.00 H new ATOM 0 HG23 THR A 23 -2.254 14.871 -11.590 1.00 0.00 H new ATOM 301 N PRO A 24 -5.083 18.119 -14.295 1.00 0.00 N ATOM 302 CA PRO A 24 -6.049 19.214 -14.389 1.00 0.00 C ATOM 303 C PRO A 24 -6.896 19.340 -13.128 1.00 0.00 C ATOM 304 O PRO A 24 -7.716 18.472 -12.830 1.00 0.00 O ATOM 305 CB PRO A 24 -6.927 18.836 -15.594 1.00 0.00 C ATOM 306 CG PRO A 24 -6.550 17.432 -15.947 1.00 0.00 C ATOM 307 CD PRO A 24 -5.140 17.244 -15.470 1.00 0.00 C ATOM 0 HA PRO A 24 -5.555 20.179 -14.503 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -7.986 18.906 -15.344 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -6.752 19.511 -16.432 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -7.221 16.717 -15.470 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -6.622 17.268 -17.022 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -4.934 16.205 -15.213 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -4.413 17.535 -16.228 1.00 0.00 H new ATOM 315 N GLY A 25 -6.688 20.423 -12.387 1.00 0.00 N ATOM 316 CA GLY A 25 -7.437 20.637 -11.164 1.00 0.00 C ATOM 317 C GLY A 25 -7.240 19.508 -10.173 1.00 0.00 C ATOM 318 O GLY A 25 -8.192 19.054 -9.538 1.00 0.00 O ATOM 0 H GLY A 25 -6.015 21.155 -12.612 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -7.127 21.577 -10.709 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -8.497 20.732 -11.400 1.00 0.00 H new ATOM 322 N ASP A 26 -5.999 19.052 -10.048 1.00 0.00 N ATOM 323 CA ASP A 26 -5.668 17.966 -9.139 1.00 0.00 C ATOM 324 C ASP A 26 -4.259 17.456 -9.409 1.00 0.00 C ATOM 325 O ASP A 26 -3.474 18.106 -10.101 1.00 0.00 O ATOM 326 CB ASP A 26 -6.672 16.826 -9.290 1.00 0.00 C ATOM 327 CG ASP A 26 -7.405 16.524 -7.997 1.00 0.00 C ATOM 328 OD1 ASP A 26 -6.813 16.730 -6.917 1.00 0.00 O ATOM 329 OD2 ASP A 26 -8.572 16.084 -8.065 1.00 0.00 O ATOM 0 H ASP A 26 -5.203 19.421 -10.568 1.00 0.00 H new ATOM 0 HA ASP A 26 -5.713 18.345 -8.118 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -7.396 17.084 -10.063 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -6.151 15.930 -9.627 1.00 0.00 H new ATOM 334 N PHE A 27 -3.939 16.290 -8.860 1.00 0.00 N ATOM 335 CA PHE A 27 -2.620 15.703 -9.046 1.00 0.00 C ATOM 336 C PHE A 27 -2.611 14.234 -8.638 1.00 0.00 C ATOM 337 O PHE A 27 -3.578 13.729 -8.068 1.00 0.00 O ATOM 338 CB PHE A 27 -1.583 16.479 -8.231 1.00 0.00 C ATOM 339 CG PHE A 27 -1.446 15.995 -6.815 1.00 0.00 C ATOM 340 CD1 PHE A 27 -2.253 16.506 -5.813 1.00 0.00 C ATOM 341 CD2 PHE A 27 -0.513 15.022 -6.489 1.00 0.00 C ATOM 342 CE1 PHE A 27 -2.134 16.061 -4.512 1.00 0.00 C ATOM 343 CE2 PHE A 27 -0.389 14.571 -5.189 1.00 0.00 C ATOM 344 CZ PHE A 27 -1.200 15.090 -4.199 1.00 0.00 C ATOM 0 H PHE A 27 -4.573 15.735 -8.285 1.00 0.00 H new ATOM 0 HA PHE A 27 -2.366 15.764 -10.104 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -0.615 16.406 -8.726 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -1.857 17.534 -8.221 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -2.985 17.263 -6.052 1.00 0.00 H new ATOM 0 HD2 PHE A 27 0.123 14.613 -7.260 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -2.769 16.470 -3.740 1.00 0.00 H new ATOM 0 HE2 PHE A 27 0.342 13.813 -4.947 1.00 0.00 H new ATOM 0 HZ PHE A 27 -1.105 14.738 -3.182 1.00 0.00 H new ATOM 354 N GLU A 28 -1.506 13.562 -8.927 1.00 0.00 N ATOM 355 CA GLU A 28 -1.351 12.156 -8.585 1.00 0.00 C ATOM 356 C GLU A 28 0.079 11.872 -8.151 1.00 0.00 C ATOM 357 O GLU A 28 0.940 12.751 -8.210 1.00 0.00 O ATOM 358 CB GLU A 28 -1.721 11.269 -9.776 1.00 0.00 C ATOM 359 CG GLU A 28 -1.065 11.696 -11.079 1.00 0.00 C ATOM 360 CD GLU A 28 -1.966 11.487 -12.280 1.00 0.00 C ATOM 361 OE1 GLU A 28 -2.916 10.684 -12.177 1.00 0.00 O ATOM 362 OE2 GLU A 28 -1.720 12.126 -13.324 1.00 0.00 O ATOM 0 H GLU A 28 -0.700 13.971 -9.400 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.024 11.929 -7.758 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.435 10.241 -9.555 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.803 11.279 -9.903 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.789 12.749 -11.015 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -0.142 11.133 -11.219 1.00 0.00 H new ATOM 369 N CYS A 29 0.332 10.646 -7.716 1.00 0.00 N ATOM 370 CA CYS A 29 1.667 10.265 -7.276 1.00 0.00 C ATOM 371 C CYS A 29 2.024 8.863 -7.740 1.00 0.00 C ATOM 372 O CYS A 29 1.154 8.012 -7.929 1.00 0.00 O ATOM 373 CB CYS A 29 1.775 10.329 -5.752 1.00 0.00 C ATOM 374 SG CYS A 29 2.859 11.655 -5.129 1.00 0.00 S ATOM 0 H CYS A 29 -0.364 9.902 -7.658 1.00 0.00 H new ATOM 0 HA CYS A 29 2.366 10.973 -7.721 1.00 0.00 H new ATOM 0 HB2 CYS A 29 0.777 10.466 -5.335 1.00 0.00 H new ATOM 0 HB3 CYS A 29 2.145 9.372 -5.386 1.00 0.00 H new ATOM 379 N LYS A 30 3.316 8.629 -7.890 1.00 0.00 N ATOM 380 CA LYS A 30 3.823 7.332 -8.296 1.00 0.00 C ATOM 381 C LYS A 30 4.388 6.621 -7.078 1.00 0.00 C ATOM 382 O LYS A 30 4.647 7.257 -6.059 1.00 0.00 O ATOM 383 CB LYS A 30 4.906 7.495 -9.362 1.00 0.00 C ATOM 384 CG LYS A 30 5.163 6.235 -10.173 1.00 0.00 C ATOM 385 CD LYS A 30 6.123 5.298 -9.460 1.00 0.00 C ATOM 386 CE LYS A 30 7.365 5.032 -10.294 1.00 0.00 C ATOM 387 NZ LYS A 30 8.251 6.226 -10.368 1.00 0.00 N ATOM 0 H LYS A 30 4.040 9.330 -7.734 1.00 0.00 H new ATOM 0 HA LYS A 30 3.012 6.741 -8.722 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.618 8.299 -10.039 1.00 0.00 H new ATOM 0 HB3 LYS A 30 5.834 7.801 -8.880 1.00 0.00 H new ATOM 0 HG2 LYS A 30 4.220 5.720 -10.356 1.00 0.00 H new ATOM 0 HG3 LYS A 30 5.573 6.505 -11.146 1.00 0.00 H new ATOM 0 HD2 LYS A 30 6.412 5.732 -8.503 1.00 0.00 H new ATOM 0 HD3 LYS A 30 5.620 4.355 -9.244 1.00 0.00 H new ATOM 0 HE2 LYS A 30 7.918 4.196 -9.865 1.00 0.00 H new ATOM 0 HE3 LYS A 30 7.070 4.736 -11.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 8.863 6.153 -11.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 7.670 7.086 -10.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 8.840 6.275 -9.512 1.00 0.00 H new ATOM 401 N CYS A 31 4.574 5.313 -7.173 1.00 0.00 N ATOM 402 CA CYS A 31 5.107 4.554 -6.052 1.00 0.00 C ATOM 403 C CYS A 31 6.104 3.499 -6.520 1.00 0.00 C ATOM 404 O CYS A 31 6.052 3.037 -7.660 1.00 0.00 O ATOM 405 CB CYS A 31 3.970 3.905 -5.258 1.00 0.00 C ATOM 406 SG CYS A 31 3.420 4.863 -3.801 1.00 0.00 S ATOM 0 H CYS A 31 4.367 4.760 -8.005 1.00 0.00 H new ATOM 0 HA CYS A 31 5.638 5.247 -5.400 1.00 0.00 H new ATOM 0 HB2 CYS A 31 3.118 3.757 -5.922 1.00 0.00 H new ATOM 0 HB3 CYS A 31 4.292 2.918 -4.927 1.00 0.00 H new ATOM 411 N ASP A 32 7.024 3.141 -5.630 1.00 0.00 N ATOM 412 CA ASP A 32 8.055 2.159 -5.939 1.00 0.00 C ATOM 413 C ASP A 32 7.603 0.743 -5.600 1.00 0.00 C ATOM 414 O ASP A 32 6.407 0.466 -5.531 1.00 0.00 O ATOM 415 CB ASP A 32 9.333 2.492 -5.168 1.00 0.00 C ATOM 416 CG ASP A 32 10.565 2.474 -6.052 1.00 0.00 C ATOM 417 OD1 ASP A 32 10.406 2.433 -7.290 1.00 0.00 O ATOM 418 OD2 ASP A 32 11.687 2.500 -5.506 1.00 0.00 O ATOM 0 H ASP A 32 7.076 3.519 -4.684 1.00 0.00 H new ATOM 0 HA ASP A 32 8.247 2.201 -7.011 1.00 0.00 H new ATOM 0 HB2 ASP A 32 9.232 3.476 -4.711 1.00 0.00 H new ATOM 0 HB3 ASP A 32 9.461 1.776 -4.357 1.00 0.00 H new ATOM 423 N GLU A 33 8.591 -0.135 -5.390 1.00 0.00 N ATOM 424 CA GLU A 33 8.364 -1.544 -5.052 1.00 0.00 C ATOM 425 C GLU A 33 6.902 -1.945 -5.192 1.00 0.00 C ATOM 426 O GLU A 33 6.512 -2.593 -6.163 1.00 0.00 O ATOM 427 CB GLU A 33 8.841 -1.823 -3.626 1.00 0.00 C ATOM 428 CG GLU A 33 10.314 -1.520 -3.406 1.00 0.00 C ATOM 429 CD GLU A 33 11.058 -2.673 -2.763 1.00 0.00 C ATOM 430 OE1 GLU A 33 10.395 -3.554 -2.176 1.00 0.00 O ATOM 431 OE2 GLU A 33 12.304 -2.696 -2.846 1.00 0.00 O ATOM 0 H GLU A 33 9.578 0.115 -5.450 1.00 0.00 H new ATOM 0 HA GLU A 33 8.937 -2.142 -5.760 1.00 0.00 H new ATOM 0 HB2 GLU A 33 8.249 -1.228 -2.931 1.00 0.00 H new ATOM 0 HB3 GLU A 33 8.655 -2.870 -3.388 1.00 0.00 H new ATOM 0 HG2 GLU A 33 10.779 -1.281 -4.363 1.00 0.00 H new ATOM 0 HG3 GLU A 33 10.409 -0.635 -2.776 1.00 0.00 H new ATOM 438 N GLY A 34 6.103 -1.553 -4.213 1.00 0.00 N ATOM 439 CA GLY A 34 4.691 -1.872 -4.231 1.00 0.00 C ATOM 440 C GLY A 34 3.871 -0.878 -3.439 1.00 0.00 C ATOM 441 O GLY A 34 2.842 -1.230 -2.864 1.00 0.00 O ATOM 0 H GLY A 34 6.409 -1.016 -3.401 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.338 -1.892 -5.262 1.00 0.00 H new ATOM 0 HA3 GLY A 34 4.541 -2.872 -3.823 1.00 0.00 H new ATOM 445 N TYR A 35 4.330 0.368 -3.403 1.00 0.00 N ATOM 446 CA TYR A 35 3.631 1.417 -2.673 1.00 0.00 C ATOM 447 C TYR A 35 2.471 1.975 -3.489 1.00 0.00 C ATOM 448 O TYR A 35 2.468 1.900 -4.718 1.00 0.00 O ATOM 449 CB TYR A 35 4.599 2.542 -2.309 1.00 0.00 C ATOM 450 CG TYR A 35 5.698 2.117 -1.362 1.00 0.00 C ATOM 451 CD1 TYR A 35 5.457 1.174 -0.369 1.00 0.00 C ATOM 452 CD2 TYR A 35 6.974 2.656 -1.461 1.00 0.00 C ATOM 453 CE1 TYR A 35 6.458 0.781 0.498 1.00 0.00 C ATOM 454 CE2 TYR A 35 7.981 2.269 -0.598 1.00 0.00 C ATOM 455 CZ TYR A 35 7.718 1.332 0.381 1.00 0.00 C ATOM 456 OH TYR A 35 8.718 0.944 1.242 1.00 0.00 O ATOM 0 H TYR A 35 5.183 0.675 -3.871 1.00 0.00 H new ATOM 0 HA TYR A 35 3.228 0.980 -1.760 1.00 0.00 H new ATOM 0 HB2 TYR A 35 5.049 2.931 -3.222 1.00 0.00 H new ATOM 0 HB3 TYR A 35 4.038 3.360 -1.856 1.00 0.00 H new ATOM 0 HD1 TYR A 35 4.472 0.742 -0.274 1.00 0.00 H new ATOM 0 HD2 TYR A 35 7.183 3.390 -2.225 1.00 0.00 H new ATOM 0 HE1 TYR A 35 6.256 0.046 1.263 1.00 0.00 H new ATOM 0 HE2 TYR A 35 8.968 2.697 -0.689 1.00 0.00 H new ATOM 0 HH TYR A 35 9.543 1.426 1.024 1.00 0.00 H new ATOM 466 N GLU A 36 1.487 2.536 -2.796 1.00 0.00 N ATOM 467 CA GLU A 36 0.320 3.113 -3.450 1.00 0.00 C ATOM 468 C GLU A 36 0.014 4.499 -2.883 1.00 0.00 C ATOM 469 O GLU A 36 -0.005 4.690 -1.669 1.00 0.00 O ATOM 470 CB GLU A 36 -0.890 2.180 -3.287 1.00 0.00 C ATOM 471 CG GLU A 36 -1.942 2.668 -2.299 1.00 0.00 C ATOM 472 CD GLU A 36 -2.787 1.540 -1.742 1.00 0.00 C ATOM 473 OE1 GLU A 36 -2.351 0.900 -0.761 1.00 0.00 O ATOM 474 OE2 GLU A 36 -3.884 1.295 -2.285 1.00 0.00 O ATOM 0 H GLU A 36 1.475 2.603 -1.778 1.00 0.00 H new ATOM 0 HA GLU A 36 0.534 3.224 -4.513 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.361 2.045 -4.261 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.536 1.201 -2.965 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.450 3.188 -1.477 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.590 3.393 -2.792 1.00 0.00 H new ATOM 481 N SER A 37 -0.231 5.460 -3.767 1.00 0.00 N ATOM 482 CA SER A 37 -0.544 6.815 -3.339 1.00 0.00 C ATOM 483 C SER A 37 -1.515 6.783 -2.167 1.00 0.00 C ATOM 484 O SER A 37 -2.720 6.609 -2.352 1.00 0.00 O ATOM 485 CB SER A 37 -1.141 7.616 -4.498 1.00 0.00 C ATOM 486 OG SER A 37 -2.489 7.963 -4.237 1.00 0.00 O ATOM 0 H SER A 37 -0.219 5.326 -4.778 1.00 0.00 H new ATOM 0 HA SER A 37 0.378 7.301 -3.020 1.00 0.00 H new ATOM 0 HB2 SER A 37 -0.554 8.520 -4.659 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.084 7.031 -5.416 1.00 0.00 H new ATOM 0 HG SER A 37 -2.981 7.167 -3.945 1.00 0.00 H new ATOM 492 N GLY A 38 -0.987 6.951 -0.960 1.00 0.00 N ATOM 493 CA GLY A 38 -1.831 6.936 0.218 1.00 0.00 C ATOM 494 C GLY A 38 -3.005 7.873 0.075 1.00 0.00 C ATOM 495 O GLY A 38 -4.128 7.440 -0.172 1.00 0.00 O ATOM 0 H GLY A 38 0.006 7.097 -0.777 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -2.193 5.923 0.393 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -1.243 7.220 1.091 1.00 0.00 H new ATOM 499 N PHE A 39 -2.730 9.162 0.223 1.00 0.00 N ATOM 500 CA PHE A 39 -3.752 10.194 0.100 1.00 0.00 C ATOM 501 C PHE A 39 -4.498 10.381 1.418 1.00 0.00 C ATOM 502 O PHE A 39 -5.227 11.357 1.598 1.00 0.00 O ATOM 503 CB PHE A 39 -4.712 9.858 -1.058 1.00 0.00 C ATOM 504 CG PHE A 39 -6.157 9.682 -0.664 1.00 0.00 C ATOM 505 CD1 PHE A 39 -6.522 8.792 0.336 1.00 0.00 C ATOM 506 CD2 PHE A 39 -7.150 10.408 -1.301 1.00 0.00 C ATOM 507 CE1 PHE A 39 -7.848 8.632 0.691 1.00 0.00 C ATOM 508 CE2 PHE A 39 -8.478 10.252 -0.950 1.00 0.00 C ATOM 509 CZ PHE A 39 -8.827 9.363 0.047 1.00 0.00 C ATOM 0 H PHE A 39 -1.798 9.521 0.431 1.00 0.00 H new ATOM 0 HA PHE A 39 -3.267 11.142 -0.132 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -4.649 10.652 -1.803 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -4.369 8.942 -1.539 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -5.761 8.218 0.843 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -6.883 11.105 -2.082 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -8.118 7.936 1.471 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -9.242 10.825 -1.455 1.00 0.00 H new ATOM 0 HZ PHE A 39 -9.864 9.239 0.323 1.00 0.00 H new ATOM 519 N MET A 40 -4.298 9.449 2.342 1.00 0.00 N ATOM 520 CA MET A 40 -4.935 9.517 3.646 1.00 0.00 C ATOM 521 C MET A 40 -4.067 10.306 4.619 1.00 0.00 C ATOM 522 O MET A 40 -4.532 10.748 5.670 1.00 0.00 O ATOM 523 CB MET A 40 -5.190 8.112 4.194 1.00 0.00 C ATOM 524 CG MET A 40 -5.315 7.051 3.113 1.00 0.00 C ATOM 525 SD MET A 40 -5.671 5.416 3.782 1.00 0.00 S ATOM 526 CE MET A 40 -7.438 5.316 3.512 1.00 0.00 C ATOM 0 H MET A 40 -3.697 8.636 2.209 1.00 0.00 H new ATOM 0 HA MET A 40 -5.892 10.026 3.533 1.00 0.00 H new ATOM 0 HB2 MET A 40 -4.376 7.840 4.866 1.00 0.00 H new ATOM 0 HB3 MET A 40 -6.104 8.123 4.788 1.00 0.00 H new ATOM 0 HG2 MET A 40 -6.107 7.336 2.420 1.00 0.00 H new ATOM 0 HG3 MET A 40 -4.389 7.011 2.540 1.00 0.00 H new ATOM 0 HE1 MET A 40 -7.808 4.357 3.876 1.00 0.00 H new ATOM 0 HE2 MET A 40 -7.934 6.124 4.049 1.00 0.00 H new ATOM 0 HE3 MET A 40 -7.649 5.406 2.446 1.00 0.00 H new ATOM 536 N MET A 41 -2.798 10.477 4.257 1.00 0.00 N ATOM 537 CA MET A 41 -1.854 11.211 5.089 1.00 0.00 C ATOM 538 C MET A 41 -1.200 12.344 4.304 1.00 0.00 C ATOM 539 O MET A 41 -0.884 13.396 4.862 1.00 0.00 O ATOM 540 CB MET A 41 -0.777 10.269 5.635 1.00 0.00 C ATOM 541 CG MET A 41 -1.066 8.798 5.381 1.00 0.00 C ATOM 542 SD MET A 41 -0.376 7.725 6.656 1.00 0.00 S ATOM 543 CE MET A 41 1.279 8.394 6.802 1.00 0.00 C ATOM 0 H MET A 41 -2.401 10.115 3.390 1.00 0.00 H new ATOM 0 HA MET A 41 -2.408 11.642 5.923 1.00 0.00 H new ATOM 0 HB2 MET A 41 0.181 10.525 5.182 1.00 0.00 H new ATOM 0 HB3 MET A 41 -0.676 10.430 6.708 1.00 0.00 H new ATOM 0 HG2 MET A 41 -2.144 8.647 5.329 1.00 0.00 H new ATOM 0 HG3 MET A 41 -0.657 8.513 4.412 1.00 0.00 H new ATOM 0 HE1 MET A 41 1.923 7.667 7.296 1.00 0.00 H new ATOM 0 HE2 MET A 41 1.672 8.612 5.809 1.00 0.00 H new ATOM 0 HE3 MET A 41 1.250 9.311 7.390 1.00 0.00 H new ATOM 553 N MET A 42 -0.998 12.125 3.007 1.00 0.00 N ATOM 554 CA MET A 42 -0.380 13.135 2.153 1.00 0.00 C ATOM 555 C MET A 42 -0.018 12.558 0.787 1.00 0.00 C ATOM 556 O MET A 42 1.005 12.915 0.202 1.00 0.00 O ATOM 557 CB MET A 42 0.873 13.702 2.825 1.00 0.00 C ATOM 558 CG MET A 42 1.696 12.654 3.557 1.00 0.00 C ATOM 559 SD MET A 42 2.460 13.296 5.059 1.00 0.00 S ATOM 560 CE MET A 42 1.843 12.136 6.275 1.00 0.00 C ATOM 0 H MET A 42 -1.252 11.262 2.527 1.00 0.00 H new ATOM 0 HA MET A 42 -1.104 13.936 2.005 1.00 0.00 H new ATOM 0 HB2 MET A 42 1.497 14.179 2.069 1.00 0.00 H new ATOM 0 HB3 MET A 42 0.577 14.478 3.531 1.00 0.00 H new ATOM 0 HG2 MET A 42 1.057 11.809 3.812 1.00 0.00 H new ATOM 0 HG3 MET A 42 2.473 12.277 2.891 1.00 0.00 H new ATOM 0 HE1 MET A 42 2.423 12.228 7.193 1.00 0.00 H new ATOM 0 HE2 MET A 42 0.795 12.352 6.485 1.00 0.00 H new ATOM 0 HE3 MET A 42 1.934 11.121 5.889 1.00 0.00 H new ATOM 570 N LYS A 43 -0.865 11.666 0.282 1.00 0.00 N ATOM 571 CA LYS A 43 -0.635 11.044 -1.019 1.00 0.00 C ATOM 572 C LYS A 43 0.770 10.463 -1.110 1.00 0.00 C ATOM 573 O LYS A 43 1.404 10.502 -2.165 1.00 0.00 O ATOM 574 CB LYS A 43 -0.862 12.055 -2.138 1.00 0.00 C ATOM 575 CG LYS A 43 -2.062 11.716 -3.001 1.00 0.00 C ATOM 576 CD LYS A 43 -1.699 10.708 -4.075 1.00 0.00 C ATOM 577 CE LYS A 43 -2.788 10.593 -5.128 1.00 0.00 C ATOM 578 NZ LYS A 43 -3.643 11.811 -5.179 1.00 0.00 N ATOM 0 H LYS A 43 -1.716 11.358 0.753 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.347 10.226 -1.132 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.000 13.045 -1.704 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.029 12.103 -2.765 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.860 11.314 -2.377 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.447 12.624 -3.466 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.763 11.003 -4.550 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.531 9.733 -3.617 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.333 10.428 -6.104 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.409 9.723 -4.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.319 11.728 -5.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.163 11.908 -4.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.045 12.649 -5.324 1.00 0.00 H new ATOM 592 N ASN A 44 1.247 9.917 0.002 1.00 0.00 N ATOM 593 CA ASN A 44 2.572 9.319 0.054 1.00 0.00 C ATOM 594 C ASN A 44 2.568 7.941 -0.603 1.00 0.00 C ATOM 595 O ASN A 44 1.760 7.667 -1.490 1.00 0.00 O ATOM 596 CB ASN A 44 3.049 9.212 1.505 1.00 0.00 C ATOM 597 CG ASN A 44 2.539 7.961 2.196 1.00 0.00 C ATOM 598 OD1 ASN A 44 3.308 7.049 2.500 1.00 0.00 O ATOM 599 ND2 ASN A 44 1.236 7.912 2.448 1.00 0.00 N ATOM 0 H ASN A 44 0.733 9.877 0.882 1.00 0.00 H new ATOM 0 HA ASN A 44 3.260 9.961 -0.496 1.00 0.00 H new ATOM 0 HB2 ASN A 44 4.139 9.216 1.527 1.00 0.00 H new ATOM 0 HB3 ASN A 44 2.716 10.090 2.059 1.00 0.00 H new ATOM 0 HD21 ASN A 44 0.836 7.096 2.911 1.00 0.00 H new ATOM 0 HD22 ASN A 44 0.635 8.691 2.179 1.00 0.00 H new ATOM 606 N CYS A 45 3.473 7.075 -0.159 1.00 0.00 N ATOM 607 CA CYS A 45 3.572 5.725 -0.697 1.00 0.00 C ATOM 608 C CYS A 45 3.246 4.701 0.380 1.00 0.00 C ATOM 609 O CYS A 45 3.978 4.562 1.360 1.00 0.00 O ATOM 610 CB CYS A 45 4.976 5.474 -1.249 1.00 0.00 C ATOM 611 SG CYS A 45 5.123 5.684 -3.053 1.00 0.00 S ATOM 0 H CYS A 45 4.150 7.286 0.574 1.00 0.00 H new ATOM 0 HA CYS A 45 2.852 5.623 -1.509 1.00 0.00 H new ATOM 0 HB2 CYS A 45 5.673 6.153 -0.758 1.00 0.00 H new ATOM 0 HB3 CYS A 45 5.281 4.461 -0.987 1.00 0.00 H new ATOM 616 N MET A 46 2.142 3.990 0.197 1.00 0.00 N ATOM 617 CA MET A 46 1.719 2.985 1.161 1.00 0.00 C ATOM 618 C MET A 46 1.392 1.665 0.470 1.00 0.00 C ATOM 619 O MET A 46 0.339 1.528 -0.152 1.00 0.00 O ATOM 620 CB MET A 46 0.507 3.489 1.944 1.00 0.00 C ATOM 621 CG MET A 46 -0.673 3.850 1.063 1.00 0.00 C ATOM 622 SD MET A 46 -2.189 3.002 1.550 1.00 0.00 S ATOM 623 CE MET A 46 -3.312 4.384 1.729 1.00 0.00 C ATOM 0 H MET A 46 1.524 4.090 -0.609 1.00 0.00 H new ATOM 0 HA MET A 46 2.542 2.807 1.853 1.00 0.00 H new ATOM 0 HB2 MET A 46 0.199 2.722 2.655 1.00 0.00 H new ATOM 0 HB3 MET A 46 0.798 4.364 2.525 1.00 0.00 H new ATOM 0 HG2 MET A 46 -0.835 4.927 1.103 1.00 0.00 H new ATOM 0 HG3 MET A 46 -0.438 3.601 0.028 1.00 0.00 H new ATOM 0 HE1 MET A 46 -4.256 4.034 2.147 1.00 0.00 H new ATOM 0 HE2 MET A 46 -2.873 5.126 2.396 1.00 0.00 H new ATOM 0 HE3 MET A 46 -3.492 4.835 0.753 1.00 0.00 H new ATOM 633 N ASP A 47 2.316 0.711 0.594 1.00 0.00 N ATOM 634 CA ASP A 47 2.182 -0.621 0.003 1.00 0.00 C ATOM 635 C ASP A 47 0.770 -0.902 -0.497 1.00 0.00 C ATOM 636 O ASP A 47 -0.164 -1.060 0.288 1.00 0.00 O ATOM 637 CB ASP A 47 2.588 -1.683 1.025 1.00 0.00 C ATOM 638 CG ASP A 47 1.491 -1.961 2.035 1.00 0.00 C ATOM 639 OD1 ASP A 47 0.832 -0.996 2.477 1.00 0.00 O ATOM 640 OD2 ASP A 47 1.289 -3.143 2.384 1.00 0.00 O ATOM 0 H ASP A 47 3.185 0.842 1.111 1.00 0.00 H new ATOM 0 HA ASP A 47 2.844 -0.657 -0.862 1.00 0.00 H new ATOM 0 HB2 ASP A 47 2.842 -2.606 0.504 1.00 0.00 H new ATOM 0 HB3 ASP A 47 3.486 -1.355 1.549 1.00 0.00 H new ATOM 645 N ILE A 48 0.633 -0.970 -1.814 1.00 0.00 N ATOM 646 CA ILE A 48 -0.649 -1.242 -2.448 1.00 0.00 C ATOM 647 C ILE A 48 -1.331 -2.445 -1.812 1.00 0.00 C ATOM 648 O ILE A 48 -0.854 -2.993 -0.819 1.00 0.00 O ATOM 649 CB ILE A 48 -0.465 -1.525 -3.948 1.00 0.00 C ATOM 650 CG1 ILE A 48 0.872 -2.225 -4.177 1.00 0.00 C ATOM 651 CG2 ILE A 48 -0.548 -0.241 -4.757 1.00 0.00 C ATOM 652 CD1 ILE A 48 0.774 -3.426 -5.087 1.00 0.00 C ATOM 0 H ILE A 48 1.403 -0.839 -2.470 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.270 -0.357 -2.311 1.00 0.00 H new ATOM 0 HB ILE A 48 -1.270 -2.179 -4.284 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.578 -1.512 -4.603 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.278 -2.539 -3.216 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -0.415 -0.468 -5.815 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -1.523 0.222 -4.605 1.00 0.00 H new ATOM 0 HG23 ILE A 48 0.234 0.445 -4.432 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.761 -3.874 -5.205 1.00 0.00 H new ATOM 0 HD12 ILE A 48 0.093 -4.157 -4.652 1.00 0.00 H new ATOM 0 HD13 ILE A 48 0.398 -3.114 -6.061 1.00 0.00 H new ATOM 664 N ASP A 49 -2.445 -2.859 -2.402 1.00 0.00 N ATOM 665 CA ASP A 49 -3.189 -4.005 -1.906 1.00 0.00 C ATOM 666 C ASP A 49 -2.901 -5.233 -2.758 1.00 0.00 C ATOM 667 O ASP A 49 -3.748 -5.668 -3.536 1.00 0.00 O ATOM 668 CB ASP A 49 -4.690 -3.716 -1.912 1.00 0.00 C ATOM 669 CG ASP A 49 -5.497 -4.854 -1.320 1.00 0.00 C ATOM 670 OD1 ASP A 49 -4.949 -5.971 -1.202 1.00 0.00 O ATOM 671 OD2 ASP A 49 -6.676 -4.629 -0.974 1.00 0.00 O ATOM 0 H ASP A 49 -2.852 -2.416 -3.226 1.00 0.00 H new ATOM 0 HA ASP A 49 -2.871 -4.198 -0.881 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -4.884 -2.804 -1.348 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -5.019 -3.534 -2.935 1.00 0.00 H new ATOM 676 N GLU A 50 -1.704 -5.793 -2.609 1.00 0.00 N ATOM 677 CA GLU A 50 -1.327 -6.973 -3.370 1.00 0.00 C ATOM 678 C GLU A 50 -2.388 -8.054 -3.221 1.00 0.00 C ATOM 679 O GLU A 50 -2.507 -8.947 -4.059 1.00 0.00 O ATOM 680 CB GLU A 50 0.024 -7.496 -2.895 1.00 0.00 C ATOM 681 CG GLU A 50 1.191 -6.598 -3.271 1.00 0.00 C ATOM 682 CD GLU A 50 1.580 -5.650 -2.153 1.00 0.00 C ATOM 683 OE1 GLU A 50 1.743 -6.119 -1.008 1.00 0.00 O ATOM 684 OE2 GLU A 50 1.720 -4.439 -2.421 1.00 0.00 O ATOM 0 H GLU A 50 -0.985 -5.449 -1.972 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.248 -6.700 -4.422 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -0.001 -7.611 -1.811 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.189 -8.488 -3.317 1.00 0.00 H new ATOM 0 HG2 GLU A 50 2.050 -7.215 -3.534 1.00 0.00 H new ATOM 0 HG3 GLU A 50 0.930 -6.021 -4.158 1.00 0.00 H new ATOM 691 N CYS A 51 -3.164 -7.955 -2.148 1.00 0.00 N ATOM 692 CA CYS A 51 -4.229 -8.911 -1.878 1.00 0.00 C ATOM 693 C CYS A 51 -5.406 -8.678 -2.818 1.00 0.00 C ATOM 694 O CYS A 51 -6.325 -9.492 -2.899 1.00 0.00 O ATOM 695 CB CYS A 51 -4.695 -8.783 -0.426 1.00 0.00 C ATOM 696 SG CYS A 51 -4.703 -10.351 0.496 1.00 0.00 S ATOM 0 H CYS A 51 -3.074 -7.218 -1.448 1.00 0.00 H new ATOM 0 HA CYS A 51 -3.840 -9.916 -2.043 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -4.048 -8.074 0.090 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -5.701 -8.363 -0.415 1.00 0.00 H new ATOM 701 N GLN A 52 -5.368 -7.552 -3.522 1.00 0.00 N ATOM 702 CA GLN A 52 -6.423 -7.190 -4.456 1.00 0.00 C ATOM 703 C GLN A 52 -5.889 -7.155 -5.882 1.00 0.00 C ATOM 704 O GLN A 52 -6.623 -7.398 -6.841 1.00 0.00 O ATOM 705 CB GLN A 52 -7.002 -5.827 -4.078 1.00 0.00 C ATOM 706 CG GLN A 52 -8.199 -5.915 -3.148 1.00 0.00 C ATOM 707 CD GLN A 52 -9.138 -4.734 -3.292 1.00 0.00 C ATOM 708 OE1 GLN A 52 -9.523 -4.363 -4.401 1.00 0.00 O ATOM 709 NE2 GLN A 52 -9.512 -4.135 -2.167 1.00 0.00 N ATOM 0 H GLN A 52 -4.611 -6.871 -3.461 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.210 -7.942 -4.403 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -6.224 -5.230 -3.601 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.295 -5.301 -4.986 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -8.746 -6.836 -3.352 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -7.850 -5.973 -2.117 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -9.169 -4.476 -1.269 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -10.143 -3.334 -2.201 1.00 0.00 H new ATOM 718 N ARG A 53 -4.603 -6.850 -6.011 1.00 0.00 N ATOM 719 CA ARG A 53 -3.957 -6.781 -7.316 1.00 0.00 C ATOM 720 C ARG A 53 -4.262 -8.026 -8.142 1.00 0.00 C ATOM 721 O ARG A 53 -4.458 -7.947 -9.355 1.00 0.00 O ATOM 722 CB ARG A 53 -2.445 -6.624 -7.146 1.00 0.00 C ATOM 723 CG ARG A 53 -1.669 -6.761 -8.445 1.00 0.00 C ATOM 724 CD ARG A 53 -0.265 -7.285 -8.198 1.00 0.00 C ATOM 725 NE ARG A 53 0.597 -7.118 -9.364 1.00 0.00 N ATOM 726 CZ ARG A 53 1.919 -7.004 -9.293 1.00 0.00 C ATOM 727 NH1 ARG A 53 2.527 -7.042 -8.114 1.00 0.00 N ATOM 728 NH2 ARG A 53 2.634 -6.855 -10.399 1.00 0.00 N ATOM 0 H ARG A 53 -3.986 -6.646 -5.225 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.351 -5.913 -7.846 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -2.236 -5.647 -6.709 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.088 -7.372 -6.439 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -2.198 -7.436 -9.117 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -1.616 -5.793 -8.943 1.00 0.00 H new ATOM 0 HD2 ARG A 53 0.172 -6.762 -7.347 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -0.314 -8.341 -7.933 1.00 0.00 H new ATOM 0 HE ARG A 53 0.160 -7.087 -10.285 1.00 0.00 H new ATOM 0 HH11 ARG A 53 1.979 -7.159 -7.261 1.00 0.00 H new ATOM 0 HH12 ARG A 53 3.542 -6.954 -8.060 1.00 0.00 H new ATOM 0 HH21 ARG A 53 2.170 -6.828 -11.307 1.00 0.00 H new ATOM 0 HH22 ARG A 53 3.649 -6.768 -10.342 1.00 0.00 H new ATOM 742 N ASP A 54 -4.302 -9.174 -7.475 1.00 0.00 N ATOM 743 CA ASP A 54 -4.585 -10.437 -8.144 1.00 0.00 C ATOM 744 C ASP A 54 -5.924 -11.004 -7.686 1.00 0.00 C ATOM 745 O ASP A 54 -6.197 -11.097 -6.490 1.00 0.00 O ATOM 746 CB ASP A 54 -3.469 -11.446 -7.867 1.00 0.00 C ATOM 747 CG ASP A 54 -2.431 -11.477 -8.972 1.00 0.00 C ATOM 748 OD1 ASP A 54 -2.662 -12.171 -9.985 1.00 0.00 O ATOM 749 OD2 ASP A 54 -1.387 -10.807 -8.825 1.00 0.00 O ATOM 0 H ASP A 54 -4.142 -9.255 -6.471 1.00 0.00 H new ATOM 0 HA ASP A 54 -4.637 -10.249 -9.216 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -2.984 -11.197 -6.923 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -3.902 -12.440 -7.751 1.00 0.00 H new ATOM 754 N PRO A 55 -6.778 -11.392 -8.644 1.00 0.00 N ATOM 755 CA PRO A 55 -8.097 -11.953 -8.351 1.00 0.00 C ATOM 756 C PRO A 55 -8.017 -13.409 -7.910 1.00 0.00 C ATOM 757 O PRO A 55 -9.020 -14.008 -7.520 1.00 0.00 O ATOM 758 CB PRO A 55 -8.825 -11.835 -9.687 1.00 0.00 C ATOM 759 CG PRO A 55 -7.746 -11.922 -10.713 1.00 0.00 C ATOM 760 CD PRO A 55 -6.516 -11.311 -10.090 1.00 0.00 C ATOM 0 HA PRO A 55 -8.595 -11.436 -7.530 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -9.556 -12.634 -9.812 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -9.367 -10.892 -9.761 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -7.563 -12.958 -10.998 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -8.028 -11.387 -11.620 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -5.614 -11.859 -10.365 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -6.374 -10.280 -10.414 1.00 0.00 H new ATOM 768 N LEU A 56 -6.814 -13.971 -7.972 1.00 0.00 N ATOM 769 CA LEU A 56 -6.594 -15.354 -7.578 1.00 0.00 C ATOM 770 C LEU A 56 -5.473 -15.449 -6.550 1.00 0.00 C ATOM 771 O LEU A 56 -5.215 -16.519 -6.005 1.00 0.00 O ATOM 772 CB LEU A 56 -6.249 -16.205 -8.799 1.00 0.00 C ATOM 773 CG LEU A 56 -7.439 -16.880 -9.476 1.00 0.00 C ATOM 774 CD1 LEU A 56 -8.701 -16.050 -9.299 1.00 0.00 C ATOM 775 CD2 LEU A 56 -7.147 -17.102 -10.951 1.00 0.00 C ATOM 0 H LEU A 56 -5.976 -13.486 -8.293 1.00 0.00 H new ATOM 0 HA LEU A 56 -7.513 -15.730 -7.129 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -5.744 -15.574 -9.531 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -5.538 -16.974 -8.497 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.602 -17.849 -9.004 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -9.537 -16.549 -9.789 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -8.917 -15.939 -8.236 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.555 -15.066 -9.744 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -8.003 -17.584 -11.423 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.959 -16.143 -11.433 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.269 -17.739 -11.056 1.00 0.00 H new ATOM 787 N LEU A 57 -4.810 -14.324 -6.298 1.00 0.00 N ATOM 788 CA LEU A 57 -3.713 -14.271 -5.339 1.00 0.00 C ATOM 789 C LEU A 57 -3.904 -15.286 -4.222 1.00 0.00 C ATOM 790 O LEU A 57 -4.999 -15.428 -3.677 1.00 0.00 O ATOM 791 CB LEU A 57 -3.596 -12.865 -4.759 1.00 0.00 C ATOM 792 CG LEU A 57 -2.239 -12.538 -4.135 1.00 0.00 C ATOM 793 CD1 LEU A 57 -1.664 -11.268 -4.740 1.00 0.00 C ATOM 794 CD2 LEU A 57 -2.369 -12.407 -2.627 1.00 0.00 C ATOM 0 H LEU A 57 -5.016 -13.432 -6.748 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.791 -14.522 -5.864 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.799 -12.143 -5.550 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.369 -12.734 -4.002 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.552 -13.356 -4.350 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.698 -11.052 -4.283 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.535 -11.403 -5.814 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.346 -10.437 -4.558 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.395 -12.174 -2.197 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.071 -11.607 -2.390 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.735 -13.346 -2.210 1.00 0.00 H new ATOM 806 N CYS A 58 -2.835 -16.002 -3.893 1.00 0.00 N ATOM 807 CA CYS A 58 -2.892 -17.015 -2.851 1.00 0.00 C ATOM 808 C CYS A 58 -4.216 -17.758 -2.919 1.00 0.00 C ATOM 809 O CYS A 58 -4.789 -18.137 -1.896 1.00 0.00 O ATOM 810 CB CYS A 58 -2.704 -16.381 -1.473 1.00 0.00 C ATOM 811 SG CYS A 58 -0.990 -16.450 -0.869 1.00 0.00 S ATOM 0 H CYS A 58 -1.921 -15.899 -4.333 1.00 0.00 H new ATOM 0 HA CYS A 58 -2.082 -17.726 -3.011 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -3.024 -15.340 -1.514 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -3.353 -16.886 -0.758 1.00 0.00 H new ATOM 816 N ARG A 59 -4.692 -17.962 -4.141 1.00 0.00 N ATOM 817 CA ARG A 59 -5.943 -18.656 -4.378 1.00 0.00 C ATOM 818 C ARG A 59 -6.097 -19.834 -3.425 1.00 0.00 C ATOM 819 O ARG A 59 -7.179 -20.084 -2.896 1.00 0.00 O ATOM 820 CB ARG A 59 -5.988 -19.132 -5.828 1.00 0.00 C ATOM 821 CG ARG A 59 -7.355 -18.992 -6.472 1.00 0.00 C ATOM 822 CD ARG A 59 -7.775 -20.278 -7.160 1.00 0.00 C ATOM 823 NE ARG A 59 -9.227 -20.397 -7.261 1.00 0.00 N ATOM 824 CZ ARG A 59 -9.860 -21.551 -7.441 1.00 0.00 C ATOM 825 NH1 ARG A 59 -9.172 -22.679 -7.541 1.00 0.00 N ATOM 826 NH2 ARG A 59 -11.183 -21.578 -7.520 1.00 0.00 N ATOM 0 H ARG A 59 -4.221 -17.651 -4.990 1.00 0.00 H new ATOM 0 HA ARG A 59 -6.771 -17.970 -4.197 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -5.262 -18.565 -6.410 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -5.682 -20.177 -5.868 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -8.091 -18.726 -5.713 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -7.336 -18.179 -7.197 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -7.338 -20.314 -8.158 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -7.379 -21.130 -6.608 1.00 0.00 H new ATOM 0 HE ARG A 59 -9.786 -19.547 -7.189 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -8.154 -22.663 -7.480 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -9.660 -23.564 -7.679 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -11.716 -20.712 -7.443 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -11.668 -22.465 -7.658 1.00 0.00 H new ATOM 840 N GLY A 60 -5.001 -20.548 -3.207 1.00 0.00 N ATOM 841 CA GLY A 60 -5.019 -21.688 -2.312 1.00 0.00 C ATOM 842 C GLY A 60 -4.014 -21.540 -1.189 1.00 0.00 C ATOM 843 O GLY A 60 -3.596 -22.526 -0.583 1.00 0.00 O ATOM 0 H GLY A 60 -4.096 -20.357 -3.636 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -6.018 -21.804 -1.892 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -4.803 -22.596 -2.876 1.00 0.00 H new ATOM 847 N GLY A 61 -3.622 -20.299 -0.919 1.00 0.00 N ATOM 848 CA GLY A 61 -2.656 -20.037 0.132 1.00 0.00 C ATOM 849 C GLY A 61 -3.038 -18.857 1.006 1.00 0.00 C ATOM 850 O GLY A 61 -4.211 -18.494 1.093 1.00 0.00 O ATOM 0 H GLY A 61 -3.956 -19.470 -1.410 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -2.555 -20.926 0.755 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -1.681 -19.849 -0.317 1.00 0.00 H new ATOM 854 N VAL A 62 -2.042 -18.258 1.657 1.00 0.00 N ATOM 855 CA VAL A 62 -2.275 -17.112 2.530 1.00 0.00 C ATOM 856 C VAL A 62 -1.623 -15.852 1.971 1.00 0.00 C ATOM 857 O VAL A 62 -0.416 -15.818 1.731 1.00 0.00 O ATOM 858 CB VAL A 62 -1.732 -17.366 3.951 1.00 0.00 C ATOM 859 CG1 VAL A 62 -1.650 -16.065 4.740 1.00 0.00 C ATOM 860 CG2 VAL A 62 -2.595 -18.385 4.678 1.00 0.00 C ATOM 0 H VAL A 62 -1.066 -18.548 1.595 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.355 -16.970 2.580 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.724 -17.771 3.864 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -1.264 -16.269 5.739 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -0.983 -15.371 4.229 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.643 -15.623 4.818 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -2.196 -18.551 5.679 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.616 -18.011 4.752 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.592 -19.325 4.125 1.00 0.00 H new ATOM 870 N CYS A 63 -2.430 -14.818 1.771 1.00 0.00 N ATOM 871 CA CYS A 63 -1.936 -13.553 1.244 1.00 0.00 C ATOM 872 C CYS A 63 -1.472 -12.638 2.375 1.00 0.00 C ATOM 873 O CYS A 63 -2.279 -11.967 3.016 1.00 0.00 O ATOM 874 CB CYS A 63 -3.029 -12.869 0.421 1.00 0.00 C ATOM 875 SG CYS A 63 -2.822 -11.069 0.245 1.00 0.00 S ATOM 0 H CYS A 63 -3.431 -14.831 1.966 1.00 0.00 H new ATOM 0 HA CYS A 63 -1.080 -13.756 0.600 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -3.054 -13.318 -0.572 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -3.995 -13.068 0.886 1.00 0.00 H new ATOM 880 N HIS A 64 -0.164 -12.622 2.614 1.00 0.00 N ATOM 881 CA HIS A 64 0.414 -11.794 3.668 1.00 0.00 C ATOM 882 C HIS A 64 0.865 -10.441 3.124 1.00 0.00 C ATOM 883 O HIS A 64 2.046 -10.102 3.187 1.00 0.00 O ATOM 884 CB HIS A 64 1.606 -12.505 4.313 1.00 0.00 C ATOM 885 CG HIS A 64 1.259 -13.813 4.952 1.00 0.00 C ATOM 886 ND1 HIS A 64 1.682 -15.028 4.454 1.00 0.00 N ATOM 887 CD2 HIS A 64 0.537 -14.094 6.062 1.00 0.00 C ATOM 888 CE1 HIS A 64 1.234 -15.999 5.229 1.00 0.00 C ATOM 889 NE2 HIS A 64 0.536 -15.459 6.212 1.00 0.00 N ATOM 0 H HIS A 64 0.517 -13.174 2.091 1.00 0.00 H new ATOM 0 HA HIS A 64 -0.360 -11.628 4.418 1.00 0.00 H new ATOM 0 HB2 HIS A 64 2.370 -12.674 3.554 1.00 0.00 H new ATOM 0 HB3 HIS A 64 2.044 -11.849 5.065 1.00 0.00 H new ATOM 0 HD1 HIS A 64 2.252 -15.156 3.618 1.00 0.00 H new ATOM 0 HD2 HIS A 64 0.052 -13.378 6.709 1.00 0.00 H new ATOM 0 HE1 HIS A 64 1.409 -17.055 5.084 1.00 0.00 H new ATOM 898 N ASN A 65 -0.077 -9.671 2.591 1.00 0.00 N ATOM 899 CA ASN A 65 0.242 -8.357 2.041 1.00 0.00 C ATOM 900 C ASN A 65 1.079 -7.548 3.026 1.00 0.00 C ATOM 901 O ASN A 65 0.614 -7.193 4.109 1.00 0.00 O ATOM 902 CB ASN A 65 -1.035 -7.593 1.684 1.00 0.00 C ATOM 903 CG ASN A 65 -0.753 -6.164 1.262 1.00 0.00 C ATOM 904 OD1 ASN A 65 0.092 -5.486 1.847 1.00 0.00 O ATOM 905 ND2 ASN A 65 -1.461 -5.697 0.241 1.00 0.00 N ATOM 0 H ASN A 65 -1.061 -9.931 2.528 1.00 0.00 H new ATOM 0 HA ASN A 65 0.823 -8.506 1.131 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -1.553 -8.112 0.877 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -1.706 -7.590 2.543 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -1.314 -4.742 -0.087 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -2.152 -6.293 -0.216 1.00 0.00 H new ATOM 912 N THR A 66 2.318 -7.263 2.640 1.00 0.00 N ATOM 913 CA THR A 66 3.228 -6.498 3.482 1.00 0.00 C ATOM 914 C THR A 66 3.600 -5.172 2.828 1.00 0.00 C ATOM 915 O THR A 66 2.935 -4.720 1.896 1.00 0.00 O ATOM 916 CB THR A 66 4.515 -7.290 3.783 1.00 0.00 C ATOM 917 OG1 THR A 66 5.570 -6.856 2.916 1.00 0.00 O ATOM 918 CG2 THR A 66 4.288 -8.784 3.602 1.00 0.00 C ATOM 0 H THR A 66 2.715 -7.552 1.746 1.00 0.00 H new ATOM 0 HA THR A 66 2.704 -6.303 4.418 1.00 0.00 H new ATOM 0 HB THR A 66 4.795 -7.104 4.820 1.00 0.00 H new ATOM 0 HG1 THR A 66 6.385 -7.362 3.114 1.00 0.00 H new ATOM 0 HG21 THR A 66 5.211 -9.321 3.820 1.00 0.00 H new ATOM 0 HG22 THR A 66 3.504 -9.118 4.282 1.00 0.00 H new ATOM 0 HG23 THR A 66 3.986 -8.984 2.574 1.00 0.00 H new ATOM 926 N GLU A 67 4.666 -4.552 3.324 1.00 0.00 N ATOM 927 CA GLU A 67 5.125 -3.275 2.790 1.00 0.00 C ATOM 928 C GLU A 67 5.848 -3.462 1.460 1.00 0.00 C ATOM 929 O GLU A 67 6.546 -4.455 1.254 1.00 0.00 O ATOM 930 CB GLU A 67 6.051 -2.585 3.793 1.00 0.00 C ATOM 931 CG GLU A 67 5.350 -1.548 4.655 1.00 0.00 C ATOM 932 CD GLU A 67 5.229 -1.979 6.104 1.00 0.00 C ATOM 933 OE1 GLU A 67 5.943 -2.922 6.504 1.00 0.00 O ATOM 934 OE2 GLU A 67 4.420 -1.374 6.839 1.00 0.00 O ATOM 0 H GLU A 67 5.228 -4.913 4.095 1.00 0.00 H new ATOM 0 HA GLU A 67 4.250 -2.649 2.618 1.00 0.00 H new ATOM 0 HB2 GLU A 67 6.499 -3.339 4.439 1.00 0.00 H new ATOM 0 HB3 GLU A 67 6.866 -2.104 3.251 1.00 0.00 H new ATOM 0 HG2 GLU A 67 5.899 -0.608 4.604 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.355 -1.358 4.252 1.00 0.00 H new ATOM 941 N GLY A 68 5.678 -2.494 0.563 1.00 0.00 N ATOM 942 CA GLY A 68 6.319 -2.558 -0.739 1.00 0.00 C ATOM 943 C GLY A 68 6.440 -3.974 -1.266 1.00 0.00 C ATOM 944 O GLY A 68 7.418 -4.311 -1.934 1.00 0.00 O ATOM 0 H GLY A 68 5.106 -1.664 0.716 1.00 0.00 H new ATOM 0 HA2 GLY A 68 5.749 -1.959 -1.449 1.00 0.00 H new ATOM 0 HA3 GLY A 68 7.312 -2.114 -0.672 1.00 0.00 H new ATOM 948 N SER A 69 5.446 -4.804 -0.971 1.00 0.00 N ATOM 949 CA SER A 69 5.452 -6.190 -1.427 1.00 0.00 C ATOM 950 C SER A 69 4.396 -7.016 -0.700 1.00 0.00 C ATOM 951 O SER A 69 3.707 -6.518 0.190 1.00 0.00 O ATOM 952 CB SER A 69 6.833 -6.812 -1.215 1.00 0.00 C ATOM 953 OG SER A 69 7.378 -7.276 -2.438 1.00 0.00 O ATOM 0 H SER A 69 4.628 -4.543 -0.420 1.00 0.00 H new ATOM 0 HA SER A 69 5.215 -6.192 -2.491 1.00 0.00 H new ATOM 0 HB2 SER A 69 7.503 -6.075 -0.771 1.00 0.00 H new ATOM 0 HB3 SER A 69 6.758 -7.640 -0.510 1.00 0.00 H new ATOM 0 HG SER A 69 8.262 -7.667 -2.275 1.00 0.00 H new ATOM 959 N TYR A 70 4.279 -8.283 -1.086 1.00 0.00 N ATOM 960 CA TYR A 70 3.310 -9.186 -0.473 1.00 0.00 C ATOM 961 C TYR A 70 3.829 -10.619 -0.478 1.00 0.00 C ATOM 962 O TYR A 70 4.560 -11.019 -1.384 1.00 0.00 O ATOM 963 CB TYR A 70 1.966 -9.084 -1.198 1.00 0.00 C ATOM 964 CG TYR A 70 1.761 -10.090 -2.305 1.00 0.00 C ATOM 965 CD1 TYR A 70 2.340 -9.904 -3.552 1.00 0.00 C ATOM 966 CD2 TYR A 70 0.970 -11.213 -2.109 1.00 0.00 C ATOM 967 CE1 TYR A 70 2.140 -10.812 -4.573 1.00 0.00 C ATOM 968 CE2 TYR A 70 0.765 -12.129 -3.123 1.00 0.00 C ATOM 969 CZ TYR A 70 1.353 -11.923 -4.354 1.00 0.00 C ATOM 970 OH TYR A 70 1.150 -12.831 -5.369 1.00 0.00 O ATOM 0 H TYR A 70 4.844 -8.708 -1.821 1.00 0.00 H new ATOM 0 HA TYR A 70 3.164 -8.891 0.566 1.00 0.00 H new ATOM 0 HB2 TYR A 70 1.166 -9.202 -0.467 1.00 0.00 H new ATOM 0 HB3 TYR A 70 1.871 -8.082 -1.616 1.00 0.00 H new ATOM 0 HD1 TYR A 70 2.957 -9.035 -3.727 1.00 0.00 H new ATOM 0 HD2 TYR A 70 0.506 -11.374 -1.147 1.00 0.00 H new ATOM 0 HE1 TYR A 70 2.598 -10.653 -5.538 1.00 0.00 H new ATOM 0 HE2 TYR A 70 0.149 -13.000 -2.953 1.00 0.00 H new ATOM 0 HH TYR A 70 0.730 -12.381 -6.131 1.00 0.00 H new ATOM 980 N ARG A 71 3.461 -11.384 0.545 1.00 0.00 N ATOM 981 CA ARG A 71 3.906 -12.764 0.658 1.00 0.00 C ATOM 982 C ARG A 71 2.755 -13.728 0.421 1.00 0.00 C ATOM 983 O ARG A 71 1.602 -13.423 0.729 1.00 0.00 O ATOM 984 CB ARG A 71 4.522 -13.012 2.036 1.00 0.00 C ATOM 985 CG ARG A 71 4.991 -11.743 2.727 1.00 0.00 C ATOM 986 CD ARG A 71 6.346 -11.293 2.207 1.00 0.00 C ATOM 987 NE ARG A 71 7.361 -12.333 2.352 1.00 0.00 N ATOM 988 CZ ARG A 71 8.605 -12.216 1.899 1.00 0.00 C ATOM 989 NH1 ARG A 71 8.984 -11.109 1.274 1.00 0.00 N ATOM 990 NH2 ARG A 71 9.471 -13.206 2.070 1.00 0.00 N ATOM 0 H ARG A 71 2.857 -11.070 1.305 1.00 0.00 H new ATOM 0 HA ARG A 71 4.663 -12.939 -0.107 1.00 0.00 H new ATOM 0 HB2 ARG A 71 3.788 -13.511 2.669 1.00 0.00 H new ATOM 0 HB3 ARG A 71 5.367 -13.692 1.930 1.00 0.00 H new ATOM 0 HG2 ARG A 71 4.259 -10.951 2.571 1.00 0.00 H new ATOM 0 HG3 ARG A 71 5.051 -11.914 3.802 1.00 0.00 H new ATOM 0 HD2 ARG A 71 6.258 -11.017 1.156 1.00 0.00 H new ATOM 0 HD3 ARG A 71 6.663 -10.400 2.746 1.00 0.00 H new ATOM 0 HE ARG A 71 7.101 -13.197 2.827 1.00 0.00 H new ATOM 0 HH11 ARG A 71 8.320 -10.346 1.141 1.00 0.00 H new ATOM 0 HH12 ARG A 71 9.939 -11.021 0.927 1.00 0.00 H new ATOM 0 HH21 ARG A 71 9.183 -14.059 2.550 1.00 0.00 H new ATOM 0 HH22 ARG A 71 10.425 -13.115 1.722 1.00 0.00 H new ATOM 1004 N CYS A 72 3.075 -14.890 -0.128 1.00 0.00 N ATOM 1005 CA CYS A 72 2.067 -15.898 -0.410 1.00 0.00 C ATOM 1006 C CYS A 72 2.498 -17.258 0.142 1.00 0.00 C ATOM 1007 O CYS A 72 3.644 -17.675 -0.035 1.00 0.00 O ATOM 1008 CB CYS A 72 1.818 -15.978 -1.917 1.00 0.00 C ATOM 1009 SG CYS A 72 0.090 -15.675 -2.404 1.00 0.00 S ATOM 0 H CYS A 72 4.025 -15.157 -0.387 1.00 0.00 H new ATOM 0 HA CYS A 72 1.137 -15.615 0.083 1.00 0.00 H new ATOM 0 HB2 CYS A 72 2.458 -15.252 -2.419 1.00 0.00 H new ATOM 0 HB3 CYS A 72 2.116 -16.965 -2.271 1.00 0.00 H new ATOM 1014 N GLU A 73 1.579 -17.935 0.827 1.00 0.00 N ATOM 1015 CA GLU A 73 1.869 -19.237 1.426 1.00 0.00 C ATOM 1016 C GLU A 73 0.860 -20.295 0.975 1.00 0.00 C ATOM 1017 O GLU A 73 -0.337 -20.165 1.222 1.00 0.00 O ATOM 1018 CB GLU A 73 1.846 -19.108 2.952 1.00 0.00 C ATOM 1019 CG GLU A 73 2.526 -20.256 3.676 1.00 0.00 C ATOM 1020 CD GLU A 73 3.325 -19.793 4.879 1.00 0.00 C ATOM 1021 OE1 GLU A 73 2.731 -19.655 5.969 1.00 0.00 O ATOM 1022 OE2 GLU A 73 4.544 -19.566 4.730 1.00 0.00 O ATOM 0 H GLU A 73 0.627 -17.604 0.981 1.00 0.00 H new ATOM 0 HA GLU A 73 2.857 -19.558 1.096 1.00 0.00 H new ATOM 0 HB2 GLU A 73 2.331 -18.174 3.235 1.00 0.00 H new ATOM 0 HB3 GLU A 73 0.810 -19.043 3.286 1.00 0.00 H new ATOM 0 HG2 GLU A 73 1.773 -20.974 3.999 1.00 0.00 H new ATOM 0 HG3 GLU A 73 3.187 -20.777 2.984 1.00 0.00 H new ATOM 1029 N CYS A 74 1.354 -21.338 0.313 1.00 0.00 N ATOM 1030 CA CYS A 74 0.495 -22.411 -0.174 1.00 0.00 C ATOM 1031 C CYS A 74 -0.176 -23.169 0.976 1.00 0.00 C ATOM 1032 O CYS A 74 -1.343 -23.544 0.876 1.00 0.00 O ATOM 1033 CB CYS A 74 1.287 -23.381 -1.053 1.00 0.00 C ATOM 1034 SG CYS A 74 1.004 -23.173 -2.843 1.00 0.00 S ATOM 0 H CYS A 74 2.344 -21.462 0.102 1.00 0.00 H new ATOM 0 HA CYS A 74 -0.290 -21.950 -0.773 1.00 0.00 H new ATOM 0 HB2 CYS A 74 2.350 -23.254 -0.848 1.00 0.00 H new ATOM 0 HB3 CYS A 74 1.028 -24.402 -0.772 1.00 0.00 H new ATOM 1039 N PRO A 75 0.559 -23.428 2.082 1.00 0.00 N ATOM 1040 CA PRO A 75 1.959 -23.005 2.254 1.00 0.00 C ATOM 1041 C PRO A 75 2.916 -23.757 1.335 1.00 0.00 C ATOM 1042 O PRO A 75 2.527 -24.707 0.657 1.00 0.00 O ATOM 1043 CB PRO A 75 2.264 -23.349 3.725 1.00 0.00 C ATOM 1044 CG PRO A 75 0.934 -23.597 4.356 1.00 0.00 C ATOM 1045 CD PRO A 75 0.064 -24.136 3.263 1.00 0.00 C ATOM 0 HA PRO A 75 2.091 -21.951 2.007 1.00 0.00 H new ATOM 0 HB2 PRO A 75 2.904 -24.228 3.799 1.00 0.00 H new ATOM 0 HB3 PRO A 75 2.788 -22.531 4.220 1.00 0.00 H new ATOM 0 HG2 PRO A 75 1.017 -24.308 5.178 1.00 0.00 H new ATOM 0 HG3 PRO A 75 0.519 -22.678 4.770 1.00 0.00 H new ATOM 0 HD2 PRO A 75 0.165 -25.216 3.160 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -0.991 -23.931 3.446 1.00 0.00 H new ATOM 1053 N PRO A 76 4.198 -23.355 1.335 1.00 0.00 N ATOM 1054 CA PRO A 76 5.230 -23.990 0.526 1.00 0.00 C ATOM 1055 C PRO A 76 4.981 -25.474 0.298 1.00 0.00 C ATOM 1056 O PRO A 76 5.321 -26.008 -0.758 1.00 0.00 O ATOM 1057 CB PRO A 76 6.477 -23.770 1.376 1.00 0.00 C ATOM 1058 CG PRO A 76 6.244 -22.461 2.063 1.00 0.00 C ATOM 1059 CD PRO A 76 4.746 -22.263 2.151 1.00 0.00 C ATOM 0 HA PRO A 76 5.287 -23.577 -0.481 1.00 0.00 H new ATOM 0 HB2 PRO A 76 6.612 -24.577 2.097 1.00 0.00 H new ATOM 0 HB3 PRO A 76 7.376 -23.739 0.760 1.00 0.00 H new ATOM 0 HG2 PRO A 76 6.691 -22.463 3.057 1.00 0.00 H new ATOM 0 HG3 PRO A 76 6.708 -21.646 1.507 1.00 0.00 H new ATOM 0 HD2 PRO A 76 4.395 -22.319 3.181 1.00 0.00 H new ATOM 0 HD3 PRO A 76 4.448 -21.288 1.766 1.00 0.00 H new ATOM 1067 N GLY A 77 4.377 -26.140 1.284 1.00 0.00 N ATOM 1068 CA GLY A 77 4.089 -27.555 1.140 1.00 0.00 C ATOM 1069 C GLY A 77 3.669 -27.889 -0.276 1.00 0.00 C ATOM 1070 O GLY A 77 3.928 -28.984 -0.776 1.00 0.00 O ATOM 0 H GLY A 77 4.086 -25.727 2.170 1.00 0.00 H new ATOM 0 HA2 GLY A 77 4.971 -28.137 1.407 1.00 0.00 H new ATOM 0 HA3 GLY A 77 3.298 -27.840 1.833 1.00 0.00 H new ATOM 1074 N HIS A 78 3.036 -26.918 -0.924 1.00 0.00 N ATOM 1075 CA HIS A 78 2.584 -27.066 -2.297 1.00 0.00 C ATOM 1076 C HIS A 78 3.541 -26.316 -3.237 1.00 0.00 C ATOM 1077 O HIS A 78 4.757 -26.427 -3.085 1.00 0.00 O ATOM 1078 CB HIS A 78 1.145 -26.554 -2.417 1.00 0.00 C ATOM 1079 CG HIS A 78 0.233 -27.494 -3.141 1.00 0.00 C ATOM 1080 ND1 HIS A 78 0.533 -28.035 -4.373 1.00 0.00 N ATOM 1081 CD2 HIS A 78 -0.979 -27.992 -2.799 1.00 0.00 C ATOM 1082 CE1 HIS A 78 -0.455 -28.823 -4.759 1.00 0.00 C ATOM 1083 NE2 HIS A 78 -1.384 -28.814 -3.822 1.00 0.00 N ATOM 0 H HIS A 78 2.823 -26.010 -0.512 1.00 0.00 H new ATOM 0 HA HIS A 78 2.590 -28.117 -2.587 1.00 0.00 H new ATOM 0 HB2 HIS A 78 0.748 -26.373 -1.418 1.00 0.00 H new ATOM 0 HB3 HIS A 78 1.151 -25.595 -2.936 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -1.525 -27.782 -1.891 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -0.495 -29.380 -5.684 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -2.261 -29.334 -3.853 1.00 0.00 H new ATOM 1092 N GLN A 79 3.016 -25.553 -4.198 1.00 0.00 N ATOM 1093 CA GLN A 79 3.871 -24.811 -5.116 1.00 0.00 C ATOM 1094 C GLN A 79 3.337 -23.402 -5.341 1.00 0.00 C ATOM 1095 O GLN A 79 2.654 -23.140 -6.327 1.00 0.00 O ATOM 1096 CB GLN A 79 3.985 -25.546 -6.451 1.00 0.00 C ATOM 1097 CG GLN A 79 4.667 -24.729 -7.535 1.00 0.00 C ATOM 1098 CD GLN A 79 5.639 -23.707 -6.980 1.00 0.00 C ATOM 1099 OE1 GLN A 79 6.748 -24.047 -6.564 1.00 0.00 O ATOM 1100 NE2 GLN A 79 5.226 -22.445 -6.971 1.00 0.00 N ATOM 0 H GLN A 79 2.015 -25.436 -4.357 1.00 0.00 H new ATOM 0 HA GLN A 79 4.861 -24.736 -4.667 1.00 0.00 H new ATOM 0 HB2 GLN A 79 4.540 -26.472 -6.301 1.00 0.00 H new ATOM 0 HB3 GLN A 79 2.987 -25.824 -6.790 1.00 0.00 H new ATOM 0 HG2 GLN A 79 5.199 -25.401 -8.208 1.00 0.00 H new ATOM 0 HG3 GLN A 79 3.909 -24.217 -8.128 1.00 0.00 H new ATOM 0 HE21 GLN A 79 4.299 -22.209 -7.326 1.00 0.00 H new ATOM 0 HE22 GLN A 79 5.836 -21.711 -6.609 1.00 0.00 H new ATOM 1109 N LEU A 80 3.655 -22.495 -4.421 1.00 0.00 N ATOM 1110 CA LEU A 80 3.204 -21.112 -4.526 1.00 0.00 C ATOM 1111 C LEU A 80 4.212 -20.265 -5.288 1.00 0.00 C ATOM 1112 O LEU A 80 5.323 -20.030 -4.814 1.00 0.00 O ATOM 1113 CB LEU A 80 2.980 -20.507 -3.137 1.00 0.00 C ATOM 1114 CG LEU A 80 2.352 -19.110 -3.112 1.00 0.00 C ATOM 1115 CD1 LEU A 80 1.901 -18.676 -4.499 1.00 0.00 C ATOM 1116 CD2 LEU A 80 1.182 -19.081 -2.139 1.00 0.00 C ATOM 0 H LEU A 80 4.222 -22.693 -3.597 1.00 0.00 H new ATOM 0 HA LEU A 80 2.261 -21.116 -5.072 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.342 -21.182 -2.566 1.00 0.00 H new ATOM 0 HB3 LEU A 80 3.939 -20.463 -2.622 1.00 0.00 H new ATOM 0 HG LEU A 80 3.112 -18.405 -2.777 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.460 -17.681 -4.443 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.759 -18.656 -5.171 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.160 -19.380 -4.878 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.742 -18.084 -2.128 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.430 -19.806 -2.452 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.534 -19.333 -1.139 1.00 0.00 H new ATOM 1128 N SER A 81 3.815 -19.795 -6.463 1.00 0.00 N ATOM 1129 CA SER A 81 4.687 -18.961 -7.274 1.00 0.00 C ATOM 1130 C SER A 81 4.907 -17.616 -6.586 1.00 0.00 C ATOM 1131 O SER A 81 3.966 -17.019 -6.070 1.00 0.00 O ATOM 1132 CB SER A 81 4.084 -18.758 -8.664 1.00 0.00 C ATOM 1133 OG SER A 81 5.008 -18.128 -9.533 1.00 0.00 O ATOM 0 H SER A 81 2.899 -19.977 -6.873 1.00 0.00 H new ATOM 0 HA SER A 81 5.650 -19.459 -7.386 1.00 0.00 H new ATOM 0 HB2 SER A 81 3.788 -19.721 -9.080 1.00 0.00 H new ATOM 0 HB3 SER A 81 3.181 -18.152 -8.587 1.00 0.00 H new ATOM 0 HG SER A 81 5.067 -18.634 -10.370 1.00 0.00 H new ATOM 1139 N PRO A 82 6.162 -17.137 -6.562 1.00 0.00 N ATOM 1140 CA PRO A 82 6.546 -15.868 -5.928 1.00 0.00 C ATOM 1141 C PRO A 82 5.464 -14.778 -5.996 1.00 0.00 C ATOM 1142 O PRO A 82 4.400 -14.918 -5.394 1.00 0.00 O ATOM 1143 CB PRO A 82 7.788 -15.495 -6.731 1.00 0.00 C ATOM 1144 CG PRO A 82 8.450 -16.806 -6.983 1.00 0.00 C ATOM 1145 CD PRO A 82 7.335 -17.814 -7.150 1.00 0.00 C ATOM 0 HA PRO A 82 6.708 -15.964 -4.854 1.00 0.00 H new ATOM 0 HB2 PRO A 82 7.527 -14.992 -7.662 1.00 0.00 H new ATOM 0 HB3 PRO A 82 8.437 -14.819 -6.175 1.00 0.00 H new ATOM 0 HG2 PRO A 82 9.073 -16.763 -7.876 1.00 0.00 H new ATOM 0 HG3 PRO A 82 9.101 -17.079 -6.153 1.00 0.00 H new ATOM 0 HD2 PRO A 82 7.171 -18.060 -8.199 1.00 0.00 H new ATOM 0 HD3 PRO A 82 7.559 -18.748 -6.635 1.00 0.00 H new ATOM 1153 N ASN A 83 5.738 -13.678 -6.699 1.00 0.00 N ATOM 1154 CA ASN A 83 4.774 -12.589 -6.798 1.00 0.00 C ATOM 1155 C ASN A 83 3.842 -12.789 -7.987 1.00 0.00 C ATOM 1156 O ASN A 83 3.492 -11.835 -8.682 1.00 0.00 O ATOM 1157 CB ASN A 83 5.498 -11.248 -6.916 1.00 0.00 C ATOM 1158 CG ASN A 83 6.126 -10.818 -5.605 1.00 0.00 C ATOM 1159 OD1 ASN A 83 7.290 -10.418 -5.563 1.00 0.00 O ATOM 1160 ND2 ASN A 83 5.356 -10.900 -4.525 1.00 0.00 N ATOM 0 H ASN A 83 6.611 -13.521 -7.202 1.00 0.00 H new ATOM 0 HA ASN A 83 4.172 -12.588 -5.889 1.00 0.00 H new ATOM 0 HB2 ASN A 83 6.271 -11.321 -7.681 1.00 0.00 H new ATOM 0 HB3 ASN A 83 4.794 -10.485 -7.247 1.00 0.00 H new ATOM 0 HD21 ASN A 83 5.724 -10.626 -3.614 1.00 0.00 H new ATOM 0 HD22 ASN A 83 4.397 -11.237 -4.607 1.00 0.00 H new ATOM 1167 N ILE A 84 3.434 -14.034 -8.209 1.00 0.00 N ATOM 1168 CA ILE A 84 2.533 -14.356 -9.307 1.00 0.00 C ATOM 1169 C ILE A 84 1.093 -14.402 -8.815 1.00 0.00 C ATOM 1170 O ILE A 84 0.161 -14.079 -9.553 1.00 0.00 O ATOM 1171 CB ILE A 84 2.891 -15.704 -9.960 1.00 0.00 C ATOM 1172 CG1 ILE A 84 4.356 -15.707 -10.399 1.00 0.00 C ATOM 1173 CG2 ILE A 84 1.976 -15.980 -11.143 1.00 0.00 C ATOM 1174 CD1 ILE A 84 5.333 -15.597 -9.248 1.00 0.00 C ATOM 0 H ILE A 84 3.713 -14.835 -7.643 1.00 0.00 H new ATOM 0 HA ILE A 84 2.642 -13.571 -10.056 1.00 0.00 H new ATOM 0 HB ILE A 84 2.749 -16.497 -9.226 1.00 0.00 H new ATOM 0 HG12 ILE A 84 4.559 -16.625 -10.951 1.00 0.00 H new ATOM 0 HG13 ILE A 84 4.522 -14.878 -11.087 1.00 0.00 H new ATOM 0 HG21 ILE A 84 2.242 -16.936 -11.593 1.00 0.00 H new ATOM 0 HG22 ILE A 84 0.941 -16.015 -10.802 1.00 0.00 H new ATOM 0 HG23 ILE A 84 2.088 -15.187 -11.882 1.00 0.00 H new ATOM 0 HD11 ILE A 84 6.352 -15.605 -9.634 1.00 0.00 H new ATOM 0 HD12 ILE A 84 5.157 -14.666 -8.709 1.00 0.00 H new ATOM 0 HD13 ILE A 84 5.194 -16.440 -8.571 1.00 0.00 H new ATOM 1186 N SER A 85 0.919 -14.789 -7.555 1.00 0.00 N ATOM 1187 CA SER A 85 -0.403 -14.858 -6.948 1.00 0.00 C ATOM 1188 C SER A 85 -1.218 -16.027 -7.496 1.00 0.00 C ATOM 1189 O SER A 85 -1.956 -15.871 -8.469 1.00 0.00 O ATOM 1190 CB SER A 85 -1.154 -13.545 -7.189 1.00 0.00 C ATOM 1191 OG SER A 85 -0.293 -12.551 -7.718 1.00 0.00 O ATOM 0 H SER A 85 1.681 -15.060 -6.934 1.00 0.00 H new ATOM 0 HA SER A 85 -0.270 -15.017 -5.878 1.00 0.00 H new ATOM 0 HB2 SER A 85 -1.981 -13.717 -7.878 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.587 -13.194 -6.252 1.00 0.00 H new ATOM 0 HG SER A 85 -0.360 -12.547 -8.696 1.00 0.00 H new ATOM 1197 N ALA A 86 -1.094 -17.195 -6.860 1.00 0.00 N ATOM 1198 CA ALA A 86 -1.838 -18.381 -7.287 1.00 0.00 C ATOM 1199 C ALA A 86 -1.171 -19.676 -6.823 1.00 0.00 C ATOM 1200 O ALA A 86 -0.572 -20.393 -7.626 1.00 0.00 O ATOM 1201 CB ALA A 86 -1.990 -18.394 -8.801 1.00 0.00 C ATOM 0 H ALA A 86 -0.489 -17.344 -6.052 1.00 0.00 H new ATOM 0 HA ALA A 86 -2.822 -18.328 -6.821 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -2.545 -19.282 -9.103 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -2.530 -17.502 -9.120 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -1.004 -18.407 -9.266 1.00 0.00 H new ATOM 1207 N CYS A 87 -1.290 -19.982 -5.531 1.00 0.00 N ATOM 1208 CA CYS A 87 -0.713 -21.204 -4.977 1.00 0.00 C ATOM 1209 C CYS A 87 -0.812 -22.345 -5.986 1.00 0.00 C ATOM 1210 O CYS A 87 -1.771 -22.420 -6.755 1.00 0.00 O ATOM 1211 CB CYS A 87 -1.438 -21.584 -3.682 1.00 0.00 C ATOM 1212 SG CYS A 87 -1.015 -23.235 -3.038 1.00 0.00 S ATOM 0 H CYS A 87 -1.780 -19.401 -4.851 1.00 0.00 H new ATOM 0 HA CYS A 87 0.339 -21.025 -4.757 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -1.207 -20.840 -2.919 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -2.513 -21.540 -3.856 1.00 0.00 H new ATOM 1217 N ILE A 88 0.179 -23.232 -5.985 1.00 0.00 N ATOM 1218 CA ILE A 88 0.186 -24.359 -6.909 1.00 0.00 C ATOM 1219 C ILE A 88 0.655 -25.634 -6.219 1.00 0.00 C ATOM 1220 O ILE A 88 0.628 -25.674 -4.971 1.00 0.00 O ATOM 1221 CB ILE A 88 1.092 -24.087 -8.128 1.00 0.00 C ATOM 1222 CG1 ILE A 88 1.184 -22.583 -8.408 1.00 0.00 C ATOM 1223 CG2 ILE A 88 0.570 -24.827 -9.350 1.00 0.00 C ATOM 1224 CD1 ILE A 88 2.333 -22.210 -9.320 1.00 0.00 C ATOM 1225 OXT ILE A 88 1.045 -26.583 -6.931 1.00 0.00 O ATOM 0 H ILE A 88 0.983 -23.192 -5.358 1.00 0.00 H new ATOM 0 HA ILE A 88 -0.841 -24.489 -7.251 1.00 0.00 H new ATOM 0 HB ILE A 88 2.093 -24.453 -7.902 1.00 0.00 H new ATOM 0 HG12 ILE A 88 0.250 -22.247 -8.857 1.00 0.00 H new ATOM 0 HG13 ILE A 88 1.293 -22.051 -7.463 1.00 0.00 H new ATOM 0 HG21 ILE A 88 1.219 -24.626 -10.202 1.00 0.00 H new ATOM 0 HG22 ILE A 88 0.557 -25.898 -9.149 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.441 -24.488 -9.576 1.00 0.00 H new ATOM 0 HD11 ILE A 88 2.339 -21.131 -9.476 1.00 0.00 H new ATOM 0 HD12 ILE A 88 3.274 -22.516 -8.863 1.00 0.00 H new ATOM 0 HD13 ILE A 88 2.215 -22.714 -10.279 1.00 0.00 H new TER 1237 ILE A 88 HETATM 1238 CA CA A 101 -2.328 20.057 -11.645 1.00 0.00 CA HETATM 1239 CA CA A 102 1.171 -4.020 0.100 1.00 0.00 CA