USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 711 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-H: A 44 HIS HE2 : A 44 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 49 HIS HE2 : A 49 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 81 HIS HE2 : A 81 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD NoAdj-H: A 85 HIS HE2 : A 85 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ -121:sc= 0.0948 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.214 K(o=-0.21,f=-1.5!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -0.272 X(o=-0.27,f=-0.31) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.127) USER MOD Single : A 23 GLN : amide:sc= -1.92 X(o=-1.9,f=-2.1!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0.0385 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.359 USER MOD Single : A 38 MET CE :methyl -164:sc= -1.52 (180deg=-2.93) USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=-0.0028) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 104:sc= 1.25 USER MOD Single : A 47 MET CE :methyl 162:sc= -0.0751 (180deg=-0.531) USER MOD Single : A 55 GLN : amide:sc= -4.41! C(o=-4.4!,f=-6.6!) USER MOD Single : A 56 ASN : amide:sc= -0.994! C(o=-0.99!,f=-3.1!) USER MOD Single : A 57 ASN : amide:sc= -0.0184 X(o=-0.018,f=-0.053) USER MOD Single : A 58 HIS : no HD1:sc= -1.23 X(o=-1.2,f=-1.6) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ -157:sc= -0.183 (180deg=-0.726) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -0.0227 X(o=-0.023,f=-0.28) USER MOD Single : A 86 THR OG1 : rot -23:sc= 0.225 USER MOD Single : A 89 LYS NZ :NH3+ 138:sc= 0.101 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0.0153 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.539 24.025 20.158 1.00 0.00 N ATOM 2 CA GLY A 1 -16.110 25.283 20.599 1.00 0.00 C ATOM 3 C GLY A 1 -16.611 26.129 19.446 1.00 0.00 C ATOM 4 O GLY A 1 -16.682 25.661 18.309 1.00 0.00 O ATOM 0 H1 GLY A 1 -16.059 23.236 20.593 1.00 0.00 H new ATOM 0 H2 GLY A 1 -15.608 23.956 19.123 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.540 23.979 20.442 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -16.934 25.084 21.284 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -15.360 25.843 21.157 1.00 0.00 H new ATOM 8 N SER A 2 -16.961 27.378 19.737 1.00 0.00 N ATOM 9 CA SER A 2 -17.464 28.289 18.716 1.00 0.00 C ATOM 10 C SER A 2 -16.704 29.612 18.747 1.00 0.00 C ATOM 11 O SER A 2 -17.286 30.669 18.986 1.00 0.00 O ATOM 12 CB SER A 2 -18.959 28.542 18.920 1.00 0.00 C ATOM 13 OG SER A 2 -19.738 27.625 18.171 1.00 0.00 O ATOM 0 H SER A 2 -16.905 27.782 20.672 1.00 0.00 H new ATOM 0 HA SER A 2 -17.311 27.824 17.742 1.00 0.00 H new ATOM 0 HB2 SER A 2 -19.205 28.454 19.978 1.00 0.00 H new ATOM 0 HB3 SER A 2 -19.203 29.561 18.620 1.00 0.00 H new ATOM 0 HG SER A 2 -20.690 27.806 18.320 1.00 0.00 H new ATOM 19 N SER A 3 -15.399 29.543 18.502 1.00 0.00 N ATOM 20 CA SER A 3 -14.557 30.734 18.505 1.00 0.00 C ATOM 21 C SER A 3 -14.373 31.272 17.089 1.00 0.00 C ATOM 22 O SER A 3 -14.944 30.747 16.134 1.00 0.00 O ATOM 23 CB SER A 3 -13.195 30.419 19.125 1.00 0.00 C ATOM 24 OG SER A 3 -12.679 31.541 19.820 1.00 0.00 O ATOM 0 H SER A 3 -14.902 28.676 18.299 1.00 0.00 H new ATOM 0 HA SER A 3 -15.052 31.499 19.104 1.00 0.00 H new ATOM 0 HB2 SER A 3 -13.290 29.576 19.809 1.00 0.00 H new ATOM 0 HB3 SER A 3 -12.497 30.119 18.344 1.00 0.00 H new ATOM 0 HG SER A 3 -11.809 31.313 20.208 1.00 0.00 H new ATOM 30 N GLY A 4 -13.570 32.325 16.963 1.00 0.00 N ATOM 31 CA GLY A 4 -13.324 32.918 15.662 1.00 0.00 C ATOM 32 C GLY A 4 -12.682 31.944 14.693 1.00 0.00 C ATOM 33 O GLY A 4 -11.469 31.977 14.482 1.00 0.00 O ATOM 0 H GLY A 4 -13.086 32.777 17.739 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.266 33.274 15.244 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.678 33.788 15.779 1.00 0.00 H new ATOM 37 N SER A 5 -13.496 31.075 14.103 1.00 0.00 N ATOM 38 CA SER A 5 -12.999 30.084 13.156 1.00 0.00 C ATOM 39 C SER A 5 -14.130 29.556 12.279 1.00 0.00 C ATOM 40 O SER A 5 -15.307 29.722 12.598 1.00 0.00 O ATOM 41 CB SER A 5 -12.332 28.925 13.900 1.00 0.00 C ATOM 42 OG SER A 5 -11.045 28.654 13.373 1.00 0.00 O ATOM 0 H SER A 5 -14.503 31.037 14.264 1.00 0.00 H new ATOM 0 HA SER A 5 -12.261 30.568 12.516 1.00 0.00 H new ATOM 0 HB2 SER A 5 -12.251 29.168 14.960 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.955 28.034 13.824 1.00 0.00 H new ATOM 0 HG SER A 5 -10.639 27.911 13.866 1.00 0.00 H new ATOM 48 N SER A 6 -13.764 28.919 11.171 1.00 0.00 N ATOM 49 CA SER A 6 -14.746 28.370 10.244 1.00 0.00 C ATOM 50 C SER A 6 -14.585 26.859 10.115 1.00 0.00 C ATOM 51 O SER A 6 -15.438 26.092 10.560 1.00 0.00 O ATOM 52 CB SER A 6 -14.607 29.029 8.870 1.00 0.00 C ATOM 53 OG SER A 6 -15.251 30.291 8.842 1.00 0.00 O ATOM 0 H SER A 6 -12.794 28.771 10.894 1.00 0.00 H new ATOM 0 HA SER A 6 -15.740 28.580 10.640 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.551 29.150 8.627 1.00 0.00 H new ATOM 0 HB3 SER A 6 -15.038 28.381 8.107 1.00 0.00 H new ATOM 0 HG SER A 6 -15.146 30.692 7.954 1.00 0.00 H new ATOM 59 N GLY A 7 -13.484 26.437 9.500 1.00 0.00 N ATOM 60 CA GLY A 7 -13.230 25.020 9.322 1.00 0.00 C ATOM 61 C GLY A 7 -12.843 24.674 7.898 1.00 0.00 C ATOM 62 O GLY A 7 -12.158 25.448 7.230 1.00 0.00 O ATOM 0 H GLY A 7 -12.763 27.052 9.122 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.433 24.709 9.997 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -14.121 24.457 9.600 1.00 0.00 H new ATOM 66 N GLN A 8 -13.282 23.509 7.433 1.00 0.00 N ATOM 67 CA GLN A 8 -12.975 23.062 6.080 1.00 0.00 C ATOM 68 C GLN A 8 -14.088 22.174 5.534 1.00 0.00 C ATOM 69 O GLN A 8 -14.841 21.551 6.282 1.00 0.00 O ATOM 70 CB GLN A 8 -11.646 22.306 6.058 1.00 0.00 C ATOM 71 CG GLN A 8 -10.532 23.053 5.342 1.00 0.00 C ATOM 72 CD GLN A 8 -9.208 22.970 6.076 1.00 0.00 C ATOM 73 OE1 GLN A 8 -9.171 22.862 7.302 1.00 0.00 O ATOM 74 NE2 GLN A 8 -8.112 23.020 5.328 1.00 0.00 N ATOM 0 H GLN A 8 -13.851 22.858 7.973 1.00 0.00 H new ATOM 0 HA GLN A 8 -12.893 23.943 5.444 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -11.336 22.104 7.083 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -11.795 21.341 5.574 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -10.413 22.645 4.338 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -10.816 24.099 5.229 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -8.190 23.110 4.315 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -7.193 22.968 5.766 1.00 0.00 H new ATOM 83 N PRO A 9 -14.196 22.113 4.198 1.00 0.00 N ATOM 84 CA PRO A 9 -15.215 21.304 3.523 1.00 0.00 C ATOM 85 C PRO A 9 -14.957 19.808 3.668 1.00 0.00 C ATOM 86 O PRO A 9 -13.808 19.365 3.673 1.00 0.00 O ATOM 87 CB PRO A 9 -15.090 21.728 2.057 1.00 0.00 C ATOM 88 CG PRO A 9 -13.688 22.212 1.921 1.00 0.00 C ATOM 89 CD PRO A 9 -13.332 22.829 3.245 1.00 0.00 C ATOM 0 HA PRO A 9 -16.207 21.464 3.945 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -15.287 20.893 1.385 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -15.805 22.512 1.809 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -13.013 21.391 1.679 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -13.603 22.941 1.115 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -12.276 22.694 3.480 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -13.526 23.902 3.254 1.00 0.00 H new ATOM 97 N ILE A 10 -16.031 19.035 3.785 1.00 0.00 N ATOM 98 CA ILE A 10 -15.920 17.589 3.929 1.00 0.00 C ATOM 99 C ILE A 10 -14.878 17.020 2.971 1.00 0.00 C ATOM 100 O ILE A 10 -14.498 17.666 1.995 1.00 0.00 O ATOM 101 CB ILE A 10 -17.270 16.892 3.674 1.00 0.00 C ATOM 102 CG1 ILE A 10 -17.575 15.898 4.796 1.00 0.00 C ATOM 103 CG2 ILE A 10 -17.256 16.189 2.325 1.00 0.00 C ATOM 104 CD1 ILE A 10 -18.080 14.562 4.299 1.00 0.00 C ATOM 0 H ILE A 10 -16.989 19.386 3.783 1.00 0.00 H new ATOM 0 HA ILE A 10 -15.610 17.397 4.956 1.00 0.00 H new ATOM 0 HB ILE A 10 -18.056 17.647 3.660 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -16.672 15.739 5.385 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -18.319 16.333 5.463 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -18.216 15.701 2.159 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -17.079 16.920 1.536 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -16.463 15.442 2.312 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -18.275 13.908 5.149 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -19.001 14.708 3.734 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -17.328 14.106 3.655 1.00 0.00 H new ATOM 116 N LYS A 11 -14.421 15.806 3.257 1.00 0.00 N ATOM 117 CA LYS A 11 -13.425 15.146 2.420 1.00 0.00 C ATOM 118 C LYS A 11 -13.976 13.848 1.840 1.00 0.00 C ATOM 119 O LYS A 11 -15.108 13.460 2.128 1.00 0.00 O ATOM 120 CB LYS A 11 -12.159 14.859 3.230 1.00 0.00 C ATOM 121 CG LYS A 11 -11.298 16.087 3.470 1.00 0.00 C ATOM 122 CD LYS A 11 -9.980 16.000 2.719 1.00 0.00 C ATOM 123 CE LYS A 11 -9.316 17.363 2.599 1.00 0.00 C ATOM 124 NZ LYS A 11 -7.840 17.248 2.436 1.00 0.00 N ATOM 0 H LYS A 11 -14.724 15.258 4.062 1.00 0.00 H new ATOM 0 HA LYS A 11 -13.178 15.815 1.596 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -12.442 14.431 4.192 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -11.567 14.107 2.708 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -11.839 16.979 3.155 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -11.103 16.193 4.537 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -9.310 15.312 3.235 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -10.153 15.590 1.724 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -9.735 17.897 1.746 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -9.538 17.955 3.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -7.424 18.198 2.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -7.437 16.761 3.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -7.627 16.705 1.575 1.00 0.00 H new ATOM 138 N GLN A 12 -13.168 13.180 1.023 1.00 0.00 N ATOM 139 CA GLN A 12 -13.575 11.925 0.403 1.00 0.00 C ATOM 140 C GLN A 12 -13.183 10.736 1.274 1.00 0.00 C ATOM 141 O GLN A 12 -12.454 10.886 2.254 1.00 0.00 O ATOM 142 CB GLN A 12 -12.944 11.787 -0.983 1.00 0.00 C ATOM 143 CG GLN A 12 -11.478 12.190 -1.027 1.00 0.00 C ATOM 144 CD GLN A 12 -11.275 13.595 -1.558 1.00 0.00 C ATOM 145 OE1 GLN A 12 -11.704 13.921 -2.665 1.00 0.00 O ATOM 146 NE2 GLN A 12 -10.617 14.437 -0.769 1.00 0.00 N ATOM 0 H GLN A 12 -12.227 13.487 0.775 1.00 0.00 H new ATOM 0 HA GLN A 12 -14.660 11.935 0.300 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -13.038 10.753 -1.315 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -13.502 12.401 -1.690 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -11.056 12.120 -0.025 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -10.930 11.486 -1.654 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -10.279 14.124 0.141 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -10.450 15.396 -1.073 1.00 0.00 H new ATOM 155 N GLU A 13 -13.673 9.555 0.910 1.00 0.00 N ATOM 156 CA GLU A 13 -13.374 8.340 1.660 1.00 0.00 C ATOM 157 C GLU A 13 -12.471 7.412 0.854 1.00 0.00 C ATOM 158 O GLU A 13 -12.896 6.822 -0.140 1.00 0.00 O ATOM 159 CB GLU A 13 -14.668 7.613 2.033 1.00 0.00 C ATOM 160 CG GLU A 13 -15.852 7.991 1.158 1.00 0.00 C ATOM 161 CD GLU A 13 -17.133 7.297 1.580 1.00 0.00 C ATOM 162 OE1 GLU A 13 -17.446 7.313 2.788 1.00 0.00 O ATOM 163 OE2 GLU A 13 -17.821 6.737 0.701 1.00 0.00 O ATOM 0 H GLU A 13 -14.278 9.414 0.101 1.00 0.00 H new ATOM 0 HA GLU A 13 -12.850 8.626 2.572 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -14.504 6.538 1.963 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -14.911 7.831 3.073 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -15.998 9.070 1.197 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -15.629 7.737 0.122 1.00 0.00 H new ATOM 170 N LEU A 14 -11.221 7.288 1.289 1.00 0.00 N ATOM 171 CA LEU A 14 -10.256 6.432 0.609 1.00 0.00 C ATOM 172 C LEU A 14 -10.493 4.965 0.951 1.00 0.00 C ATOM 173 O LEU A 14 -10.617 4.602 2.121 1.00 0.00 O ATOM 174 CB LEU A 14 -8.830 6.833 0.992 1.00 0.00 C ATOM 175 CG LEU A 14 -8.576 8.332 1.158 1.00 0.00 C ATOM 176 CD1 LEU A 14 -7.943 8.620 2.510 1.00 0.00 C ATOM 177 CD2 LEU A 14 -7.693 8.850 0.032 1.00 0.00 C ATOM 0 H LEU A 14 -10.853 7.770 2.109 1.00 0.00 H new ATOM 0 HA LEU A 14 -10.387 6.561 -0.465 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -8.573 6.335 1.927 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -8.150 6.452 0.230 1.00 0.00 H new ATOM 0 HG LEU A 14 -9.533 8.851 1.111 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.770 9.692 2.610 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -8.611 8.285 3.303 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.994 8.090 2.587 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -7.522 9.918 0.166 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.738 8.325 0.048 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -8.186 8.678 -0.925 1.00 0.00 H new ATOM 189 N SER A 15 -10.553 4.125 -0.077 1.00 0.00 N ATOM 190 CA SER A 15 -10.777 2.696 0.114 1.00 0.00 C ATOM 191 C SER A 15 -9.541 1.895 -0.285 1.00 0.00 C ATOM 192 O SER A 15 -9.068 1.985 -1.419 1.00 0.00 O ATOM 193 CB SER A 15 -11.985 2.234 -0.702 1.00 0.00 C ATOM 194 OG SER A 15 -12.149 3.028 -1.864 1.00 0.00 O ATOM 0 H SER A 15 -10.450 4.409 -1.051 1.00 0.00 H new ATOM 0 HA SER A 15 -10.975 2.522 1.172 1.00 0.00 H new ATOM 0 HB2 SER A 15 -11.858 1.189 -0.986 1.00 0.00 H new ATOM 0 HB3 SER A 15 -12.885 2.290 -0.089 1.00 0.00 H new ATOM 0 HG SER A 15 -12.927 2.712 -2.369 1.00 0.00 H new ATOM 200 N CYS A 16 -9.024 1.110 0.654 1.00 0.00 N ATOM 201 CA CYS A 16 -7.843 0.292 0.403 1.00 0.00 C ATOM 202 C CYS A 16 -8.196 -0.924 -0.449 1.00 0.00 C ATOM 203 O CYS A 16 -8.623 -1.956 0.069 1.00 0.00 O ATOM 204 CB CYS A 16 -7.220 -0.161 1.725 1.00 0.00 C ATOM 205 SG CYS A 16 -6.166 -1.639 1.582 1.00 0.00 S ATOM 0 H CYS A 16 -9.404 1.023 1.596 1.00 0.00 H new ATOM 0 HA CYS A 16 -7.120 0.899 -0.142 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -6.627 0.657 2.134 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -8.018 -0.364 2.439 1.00 0.00 H new ATOM 210 N LYS A 17 -8.013 -0.794 -1.759 1.00 0.00 N ATOM 211 CA LYS A 17 -8.310 -1.881 -2.684 1.00 0.00 C ATOM 212 C LYS A 17 -7.193 -2.920 -2.679 1.00 0.00 C ATOM 213 O LYS A 17 -6.698 -3.318 -3.733 1.00 0.00 O ATOM 214 CB LYS A 17 -8.505 -1.334 -4.100 1.00 0.00 C ATOM 215 CG LYS A 17 -9.670 -0.368 -4.223 1.00 0.00 C ATOM 216 CD LYS A 17 -11.001 -1.068 -4.004 1.00 0.00 C ATOM 217 CE LYS A 17 -12.171 -0.118 -4.209 1.00 0.00 C ATOM 218 NZ LYS A 17 -13.221 -0.300 -3.169 1.00 0.00 N ATOM 0 H LYS A 17 -7.660 0.054 -2.204 1.00 0.00 H new ATOM 0 HA LYS A 17 -9.232 -2.362 -2.356 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -7.591 -0.830 -4.415 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.661 -2.168 -4.784 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -9.556 0.435 -3.495 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -9.659 0.093 -5.211 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -11.089 -1.909 -4.692 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -11.036 -1.478 -2.994 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -11.812 0.911 -4.186 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -12.604 -0.283 -5.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -13.897 0.489 -3.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -13.722 -1.196 -3.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -12.778 -0.320 -2.228 1.00 0.00 H new ATOM 232 N TRP A 18 -6.802 -3.355 -1.487 1.00 0.00 N ATOM 233 CA TRP A 18 -5.744 -4.349 -1.345 1.00 0.00 C ATOM 234 C TRP A 18 -6.319 -5.761 -1.356 1.00 0.00 C ATOM 235 O TRP A 18 -6.732 -6.281 -0.319 1.00 0.00 O ATOM 236 CB TRP A 18 -4.964 -4.113 -0.051 1.00 0.00 C ATOM 237 CG TRP A 18 -3.841 -5.086 0.151 1.00 0.00 C ATOM 238 CD1 TRP A 18 -3.938 -6.362 0.627 1.00 0.00 C ATOM 239 CD2 TRP A 18 -2.453 -4.858 -0.114 1.00 0.00 C ATOM 240 NE1 TRP A 18 -2.693 -6.942 0.673 1.00 0.00 N ATOM 241 CE2 TRP A 18 -1.765 -6.041 0.223 1.00 0.00 C ATOM 242 CE3 TRP A 18 -1.723 -3.772 -0.605 1.00 0.00 C ATOM 243 CZ2 TRP A 18 -0.385 -6.164 0.085 1.00 0.00 C ATOM 244 CZ3 TRP A 18 -0.354 -3.896 -0.741 1.00 0.00 C ATOM 245 CH2 TRP A 18 0.304 -5.085 -0.398 1.00 0.00 C ATOM 0 H TRP A 18 -7.201 -3.035 -0.605 1.00 0.00 H new ATOM 0 HA TRP A 18 -5.067 -4.246 -2.193 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -4.561 -3.100 -0.057 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -5.649 -4.178 0.795 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -4.858 -6.844 0.924 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -2.493 -7.890 0.991 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -2.221 -2.852 -0.873 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 0.124 -7.079 0.350 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 0.219 -3.062 -1.118 1.00 0.00 H new ATOM 0 HH2 TRP A 18 1.375 -5.151 -0.517 1.00 0.00 H new ATOM 256 N ILE A 19 -6.343 -6.377 -2.534 1.00 0.00 N ATOM 257 CA ILE A 19 -6.867 -7.729 -2.678 1.00 0.00 C ATOM 258 C ILE A 19 -5.817 -8.768 -2.299 1.00 0.00 C ATOM 259 O ILE A 19 -4.979 -9.146 -3.117 1.00 0.00 O ATOM 260 CB ILE A 19 -7.342 -7.998 -4.118 1.00 0.00 C ATOM 261 CG1 ILE A 19 -8.473 -7.038 -4.493 1.00 0.00 C ATOM 262 CG2 ILE A 19 -7.796 -9.443 -4.264 1.00 0.00 C ATOM 263 CD1 ILE A 19 -8.359 -6.489 -5.898 1.00 0.00 C ATOM 0 H ILE A 19 -6.006 -5.961 -3.402 1.00 0.00 H new ATOM 0 HA ILE A 19 -7.718 -7.812 -2.002 1.00 0.00 H new ATOM 0 HB ILE A 19 -6.507 -7.829 -4.798 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -9.427 -7.555 -4.390 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -8.483 -6.208 -3.787 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -8.129 -9.618 -5.287 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -6.966 -10.110 -4.033 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -8.619 -9.637 -3.576 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -9.194 -5.816 -6.095 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -7.421 -5.943 -6.000 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -8.380 -7.312 -6.613 1.00 0.00 H new ATOM 275 N ASP A 20 -5.870 -9.227 -1.053 1.00 0.00 N ATOM 276 CA ASP A 20 -4.926 -10.226 -0.565 1.00 0.00 C ATOM 277 C ASP A 20 -4.910 -11.450 -1.476 1.00 0.00 C ATOM 278 O ASP A 20 -5.510 -11.443 -2.550 1.00 0.00 O ATOM 279 CB ASP A 20 -5.283 -10.642 0.862 1.00 0.00 C ATOM 280 CG ASP A 20 -4.182 -10.317 1.853 1.00 0.00 C ATOM 281 OD1 ASP A 20 -3.150 -11.020 1.845 1.00 0.00 O ATOM 282 OD2 ASP A 20 -4.352 -9.358 2.635 1.00 0.00 O ATOM 0 H ASP A 20 -6.557 -8.923 -0.363 1.00 0.00 H new ATOM 0 HA ASP A 20 -3.931 -9.781 -0.567 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -6.201 -10.138 1.165 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -5.484 -11.713 0.885 1.00 0.00 H new ATOM 287 N GLU A 21 -4.219 -12.498 -1.038 1.00 0.00 N ATOM 288 CA GLU A 21 -4.124 -13.728 -1.816 1.00 0.00 C ATOM 289 C GLU A 21 -4.328 -14.951 -0.926 1.00 0.00 C ATOM 290 O GLU A 21 -3.639 -15.122 0.078 1.00 0.00 O ATOM 291 CB GLU A 21 -2.765 -13.812 -2.514 1.00 0.00 C ATOM 292 CG GLU A 21 -2.695 -14.892 -3.581 1.00 0.00 C ATOM 293 CD GLU A 21 -3.202 -14.415 -4.928 1.00 0.00 C ATOM 294 OE1 GLU A 21 -3.199 -13.188 -5.163 1.00 0.00 O ATOM 295 OE2 GLU A 21 -3.600 -15.269 -5.748 1.00 0.00 O ATOM 0 H GLU A 21 -3.718 -12.520 -0.150 1.00 0.00 H new ATOM 0 HA GLU A 21 -4.911 -13.713 -2.570 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.540 -12.848 -2.970 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.993 -14.000 -1.767 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -1.664 -15.229 -3.684 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -3.282 -15.753 -3.260 1.00 0.00 H new ATOM 302 N ALA A 22 -5.281 -15.797 -1.304 1.00 0.00 N ATOM 303 CA ALA A 22 -5.575 -17.005 -0.542 1.00 0.00 C ATOM 304 C ALA A 22 -6.219 -16.665 0.798 1.00 0.00 C ATOM 305 O ALA A 22 -6.460 -17.547 1.622 1.00 0.00 O ATOM 306 CB ALA A 22 -4.307 -17.817 -0.330 1.00 0.00 C ATOM 0 H ALA A 22 -5.862 -15.668 -2.132 1.00 0.00 H new ATOM 0 HA ALA A 22 -6.284 -17.603 -1.115 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -4.542 -18.716 0.240 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -3.890 -18.099 -1.297 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -3.579 -17.219 0.219 1.00 0.00 H new ATOM 312 N GLN A 23 -6.493 -15.382 1.010 1.00 0.00 N ATOM 313 CA GLN A 23 -7.107 -14.927 2.251 1.00 0.00 C ATOM 314 C GLN A 23 -8.176 -15.908 2.721 1.00 0.00 C ATOM 315 O GLN A 23 -8.912 -16.475 1.912 1.00 0.00 O ATOM 316 CB GLN A 23 -7.719 -13.538 2.063 1.00 0.00 C ATOM 317 CG GLN A 23 -8.453 -13.371 0.742 1.00 0.00 C ATOM 318 CD GLN A 23 -8.245 -12.000 0.128 1.00 0.00 C ATOM 319 OE1 GLN A 23 -8.277 -10.984 0.824 1.00 0.00 O ATOM 320 NE2 GLN A 23 -8.029 -11.964 -1.181 1.00 0.00 N ATOM 0 H GLN A 23 -6.299 -14.639 0.338 1.00 0.00 H new ATOM 0 HA GLN A 23 -6.330 -14.873 3.013 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -8.411 -13.341 2.881 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -6.929 -12.790 2.127 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -8.112 -14.134 0.042 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -9.519 -13.537 0.899 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -8.011 -12.830 -1.719 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -7.881 -11.070 -1.649 1.00 0.00 H new ATOM 329 N LEU A 24 -8.257 -16.103 4.033 1.00 0.00 N ATOM 330 CA LEU A 24 -9.237 -17.017 4.611 1.00 0.00 C ATOM 331 C LEU A 24 -10.573 -16.914 3.883 1.00 0.00 C ATOM 332 O LEU A 24 -11.223 -17.924 3.613 1.00 0.00 O ATOM 333 CB LEU A 24 -9.429 -16.715 6.098 1.00 0.00 C ATOM 334 CG LEU A 24 -9.021 -17.825 7.067 1.00 0.00 C ATOM 335 CD1 LEU A 24 -8.013 -17.306 8.081 1.00 0.00 C ATOM 336 CD2 LEU A 24 -10.244 -18.395 7.771 1.00 0.00 C ATOM 0 H LEU A 24 -7.657 -15.641 4.716 1.00 0.00 H new ATOM 0 HA LEU A 24 -8.860 -18.034 4.498 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -8.859 -15.819 6.343 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -10.480 -16.480 6.268 1.00 0.00 H new ATOM 0 HG LEU A 24 -8.550 -18.625 6.495 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -7.735 -18.110 8.762 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.125 -16.948 7.561 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -8.456 -16.487 8.648 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -9.934 -19.184 8.457 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -10.744 -17.604 8.330 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -10.931 -18.806 7.031 1.00 0.00 H new ATOM 348 N SER A 25 -10.975 -15.688 3.565 1.00 0.00 N ATOM 349 CA SER A 25 -12.235 -15.453 2.869 1.00 0.00 C ATOM 350 C SER A 25 -12.041 -15.520 1.357 1.00 0.00 C ATOM 351 O SER A 25 -10.984 -15.160 0.840 1.00 0.00 O ATOM 352 CB SER A 25 -12.812 -14.091 3.261 1.00 0.00 C ATOM 353 OG SER A 25 -12.347 -13.688 4.537 1.00 0.00 O ATOM 0 H SER A 25 -10.447 -14.842 3.778 1.00 0.00 H new ATOM 0 HA SER A 25 -12.936 -16.235 3.163 1.00 0.00 H new ATOM 0 HB2 SER A 25 -12.532 -13.346 2.516 1.00 0.00 H new ATOM 0 HB3 SER A 25 -13.901 -14.142 3.267 1.00 0.00 H new ATOM 0 HG SER A 25 -12.729 -12.814 4.763 1.00 0.00 H new ATOM 359 N ARG A 26 -13.070 -15.984 0.655 1.00 0.00 N ATOM 360 CA ARG A 26 -13.014 -16.100 -0.797 1.00 0.00 C ATOM 361 C ARG A 26 -14.393 -15.883 -1.413 1.00 0.00 C ATOM 362 O ARG A 26 -15.421 -15.974 -0.742 1.00 0.00 O ATOM 363 CB ARG A 26 -12.473 -17.473 -1.199 1.00 0.00 C ATOM 364 CG ARG A 26 -10.972 -17.490 -1.437 1.00 0.00 C ATOM 365 CD ARG A 26 -10.644 -17.664 -2.912 1.00 0.00 C ATOM 366 NE ARG A 26 -9.462 -18.497 -3.116 1.00 0.00 N ATOM 367 CZ ARG A 26 -9.481 -19.824 -3.060 1.00 0.00 C ATOM 368 NH1 ARG A 26 -10.614 -20.465 -2.809 1.00 0.00 N ATOM 369 NH2 ARG A 26 -8.364 -20.513 -3.257 1.00 0.00 N ATOM 0 H ARG A 26 -13.952 -16.286 1.069 1.00 0.00 H new ATOM 0 HA ARG A 26 -12.342 -15.328 -1.173 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -12.717 -18.193 -0.418 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -12.980 -17.803 -2.106 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -10.534 -16.561 -1.073 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -10.521 -18.301 -0.865 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -11.496 -18.113 -3.422 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -10.481 -16.686 -3.365 1.00 0.00 H new ATOM 0 HE ARG A 26 -8.574 -18.035 -3.312 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -11.475 -19.939 -2.658 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -10.625 -21.484 -2.767 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -7.490 -20.024 -3.451 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -8.379 -21.532 -3.214 1.00 0.00 H new ATOM 383 N PRO A 27 -14.416 -15.590 -2.722 1.00 0.00 N ATOM 384 CA PRO A 27 -13.199 -15.480 -3.531 1.00 0.00 C ATOM 385 C PRO A 27 -12.373 -14.249 -3.170 1.00 0.00 C ATOM 386 O PRO A 27 -12.856 -13.341 -2.494 1.00 0.00 O ATOM 387 CB PRO A 27 -13.732 -15.365 -4.961 1.00 0.00 C ATOM 388 CG PRO A 27 -15.103 -14.801 -4.810 1.00 0.00 C ATOM 389 CD PRO A 27 -15.634 -15.344 -3.513 1.00 0.00 C ATOM 0 HA PRO A 27 -12.530 -16.327 -3.378 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -13.101 -14.715 -5.568 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -13.756 -16.337 -5.454 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -15.077 -13.711 -4.795 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -15.739 -15.094 -5.645 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -16.296 -14.632 -3.020 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -16.206 -16.259 -3.665 1.00 0.00 H new ATOM 397 N LYS A 28 -11.126 -14.225 -3.627 1.00 0.00 N ATOM 398 CA LYS A 28 -10.232 -13.105 -3.354 1.00 0.00 C ATOM 399 C LYS A 28 -10.987 -11.781 -3.409 1.00 0.00 C ATOM 400 O LYS A 28 -11.236 -11.241 -4.487 1.00 0.00 O ATOM 401 CB LYS A 28 -9.080 -13.089 -4.361 1.00 0.00 C ATOM 402 CG LYS A 28 -8.068 -14.201 -4.145 1.00 0.00 C ATOM 403 CD LYS A 28 -7.043 -14.249 -5.266 1.00 0.00 C ATOM 404 CE LYS A 28 -7.337 -15.377 -6.242 1.00 0.00 C ATOM 405 NZ LYS A 28 -6.674 -15.159 -7.558 1.00 0.00 N ATOM 0 H LYS A 28 -10.711 -14.968 -4.188 1.00 0.00 H new ATOM 0 HA LYS A 28 -9.827 -13.231 -2.350 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -9.488 -13.171 -5.368 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -8.569 -12.128 -4.301 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.560 -14.051 -3.192 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -8.586 -15.158 -4.083 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -7.039 -13.298 -5.798 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -6.047 -14.382 -4.844 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -6.999 -16.322 -5.817 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -8.414 -15.460 -6.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -6.899 -15.950 -8.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -7.015 -14.270 -7.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -5.644 -15.105 -7.423 1.00 0.00 H new ATOM 419 N LYS A 29 -11.348 -11.262 -2.240 1.00 0.00 N ATOM 420 CA LYS A 29 -12.072 -10.000 -2.154 1.00 0.00 C ATOM 421 C LYS A 29 -11.116 -8.841 -1.889 1.00 0.00 C ATOM 422 O LYS A 29 -9.940 -9.050 -1.590 1.00 0.00 O ATOM 423 CB LYS A 29 -13.127 -10.068 -1.047 1.00 0.00 C ATOM 424 CG LYS A 29 -12.903 -11.202 -0.062 1.00 0.00 C ATOM 425 CD LYS A 29 -14.061 -11.331 0.913 1.00 0.00 C ATOM 426 CE LYS A 29 -14.158 -10.119 1.827 1.00 0.00 C ATOM 427 NZ LYS A 29 -15.225 -10.282 2.852 1.00 0.00 N ATOM 0 H LYS A 29 -11.151 -11.697 -1.339 1.00 0.00 H new ATOM 0 HA LYS A 29 -12.567 -9.828 -3.110 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -13.134 -9.123 -0.504 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -14.111 -10.182 -1.501 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -12.778 -12.138 -0.606 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -11.979 -11.029 0.490 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -14.993 -11.446 0.359 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -13.934 -12.232 1.514 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -13.200 -9.960 2.322 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -14.360 -9.229 1.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -15.259 -9.435 3.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -16.143 -10.409 2.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -15.019 -11.116 3.438 1.00 0.00 H new ATOM 441 N SER A 30 -11.628 -7.620 -1.999 1.00 0.00 N ATOM 442 CA SER A 30 -10.819 -6.428 -1.774 1.00 0.00 C ATOM 443 C SER A 30 -10.885 -5.995 -0.312 1.00 0.00 C ATOM 444 O SER A 30 -11.960 -5.957 0.288 1.00 0.00 O ATOM 445 CB SER A 30 -11.290 -5.287 -2.677 1.00 0.00 C ATOM 446 OG SER A 30 -12.702 -5.280 -2.796 1.00 0.00 O ATOM 0 H SER A 30 -12.600 -7.430 -2.243 1.00 0.00 H new ATOM 0 HA SER A 30 -9.785 -6.670 -2.017 1.00 0.00 H new ATOM 0 HB2 SER A 30 -10.952 -4.334 -2.270 1.00 0.00 H new ATOM 0 HB3 SER A 30 -10.839 -5.391 -3.664 1.00 0.00 H new ATOM 0 HG SER A 30 -12.978 -4.540 -3.377 1.00 0.00 H new ATOM 452 N CYS A 31 -9.729 -5.669 0.255 1.00 0.00 N ATOM 453 CA CYS A 31 -9.652 -5.238 1.645 1.00 0.00 C ATOM 454 C CYS A 31 -10.689 -4.158 1.938 1.00 0.00 C ATOM 455 O CYS A 31 -11.165 -4.028 3.066 1.00 0.00 O ATOM 456 CB CYS A 31 -8.250 -4.715 1.963 1.00 0.00 C ATOM 457 SG CYS A 31 -8.094 -3.964 3.616 1.00 0.00 S ATOM 0 H CYS A 31 -8.831 -5.695 -0.228 1.00 0.00 H new ATOM 0 HA CYS A 31 -9.862 -6.100 2.278 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -7.540 -5.538 1.881 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -7.970 -3.976 1.212 1.00 0.00 H new ATOM 462 N ASP A 32 -11.035 -3.385 0.914 1.00 0.00 N ATOM 463 CA ASP A 32 -12.016 -2.316 1.060 1.00 0.00 C ATOM 464 C ASP A 32 -11.530 -1.264 2.053 1.00 0.00 C ATOM 465 O ASP A 32 -10.804 -0.340 1.687 1.00 0.00 O ATOM 466 CB ASP A 32 -13.359 -2.886 1.519 1.00 0.00 C ATOM 467 CG ASP A 32 -14.320 -1.807 1.979 1.00 0.00 C ATOM 468 OD1 ASP A 32 -14.785 -1.023 1.125 1.00 0.00 O ATOM 469 OD2 ASP A 32 -14.607 -1.748 3.192 1.00 0.00 O ATOM 0 H ASP A 32 -10.651 -3.479 -0.026 1.00 0.00 H new ATOM 0 HA ASP A 32 -12.145 -1.840 0.088 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -13.811 -3.446 0.701 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -13.192 -3.591 2.334 1.00 0.00 H new ATOM 474 N ARG A 33 -11.937 -1.411 3.310 1.00 0.00 N ATOM 475 CA ARG A 33 -11.545 -0.473 4.354 1.00 0.00 C ATOM 476 C ARG A 33 -11.896 0.958 3.959 1.00 0.00 C ATOM 477 O ARG A 33 -12.301 1.220 2.826 1.00 0.00 O ATOM 478 CB ARG A 33 -10.045 -0.584 4.632 1.00 0.00 C ATOM 479 CG ARG A 33 -9.720 -1.053 6.041 1.00 0.00 C ATOM 480 CD ARG A 33 -10.400 -2.375 6.359 1.00 0.00 C ATOM 481 NE ARG A 33 -11.250 -2.282 7.543 1.00 0.00 N ATOM 482 CZ ARG A 33 -10.779 -2.235 8.784 1.00 0.00 C ATOM 483 NH1 ARG A 33 -9.471 -2.272 9.002 1.00 0.00 N ATOM 484 NH2 ARG A 33 -11.615 -2.151 9.811 1.00 0.00 N ATOM 0 H ARG A 33 -12.538 -2.171 3.629 1.00 0.00 H new ATOM 0 HA ARG A 33 -12.095 -0.726 5.260 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -9.602 -1.276 3.916 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -9.580 0.388 4.465 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -8.641 -1.162 6.149 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -10.037 -0.297 6.759 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -11.001 -2.688 5.505 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -9.643 -3.144 6.515 1.00 0.00 H new ATOM 0 HE ARG A 33 -12.261 -2.251 7.410 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -8.825 -2.337 8.216 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -9.112 -2.236 9.956 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -12.622 -2.122 9.648 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -11.251 -2.115 10.763 1.00 0.00 H new ATOM 498 N THR A 34 -11.737 1.883 4.901 1.00 0.00 N ATOM 499 CA THR A 34 -12.038 3.287 4.652 1.00 0.00 C ATOM 500 C THR A 34 -11.206 4.195 5.550 1.00 0.00 C ATOM 501 O THR A 34 -11.120 3.980 6.759 1.00 0.00 O ATOM 502 CB THR A 34 -13.532 3.590 4.879 1.00 0.00 C ATOM 503 OG1 THR A 34 -14.007 2.879 6.027 1.00 0.00 O ATOM 504 CG2 THR A 34 -14.353 3.201 3.659 1.00 0.00 C ATOM 0 H THR A 34 -11.401 1.684 5.844 1.00 0.00 H new ATOM 0 HA THR A 34 -11.789 3.484 3.609 1.00 0.00 H new ATOM 0 HB THR A 34 -13.642 4.662 5.045 1.00 0.00 H new ATOM 0 HG1 THR A 34 -14.957 3.078 6.165 1.00 0.00 H new ATOM 0 HG21 THR A 34 -15.404 3.424 3.842 1.00 0.00 H new ATOM 0 HG22 THR A 34 -14.008 3.766 2.793 1.00 0.00 H new ATOM 0 HG23 THR A 34 -14.236 2.134 3.467 1.00 0.00 H new ATOM 512 N PHE A 35 -10.594 5.211 4.951 1.00 0.00 N ATOM 513 CA PHE A 35 -9.767 6.153 5.697 1.00 0.00 C ATOM 514 C PHE A 35 -10.196 7.591 5.420 1.00 0.00 C ATOM 515 O PHE A 35 -10.858 7.871 4.421 1.00 0.00 O ATOM 516 CB PHE A 35 -8.292 5.969 5.333 1.00 0.00 C ATOM 517 CG PHE A 35 -7.886 4.531 5.184 1.00 0.00 C ATOM 518 CD1 PHE A 35 -8.178 3.831 4.024 1.00 0.00 C ATOM 519 CD2 PHE A 35 -7.212 3.879 6.203 1.00 0.00 C ATOM 520 CE1 PHE A 35 -7.807 2.508 3.885 1.00 0.00 C ATOM 521 CE2 PHE A 35 -6.837 2.555 6.070 1.00 0.00 C ATOM 522 CZ PHE A 35 -7.134 1.869 4.908 1.00 0.00 C ATOM 0 H PHE A 35 -10.655 5.403 3.951 1.00 0.00 H new ATOM 0 HA PHE A 35 -9.899 5.952 6.760 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -8.088 6.494 4.400 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -7.676 6.434 6.102 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -8.702 4.326 3.219 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -6.976 4.411 7.113 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -8.043 1.973 2.977 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -6.313 2.058 6.873 1.00 0.00 H new ATOM 0 HZ PHE A 35 -6.841 0.835 4.800 1.00 0.00 H new ATOM 532 N SER A 36 -9.813 8.499 6.312 1.00 0.00 N ATOM 533 CA SER A 36 -10.161 9.907 6.167 1.00 0.00 C ATOM 534 C SER A 36 -8.987 10.701 5.601 1.00 0.00 C ATOM 535 O SER A 36 -9.175 11.682 4.880 1.00 0.00 O ATOM 536 CB SER A 36 -10.582 10.492 7.517 1.00 0.00 C ATOM 537 OG SER A 36 -11.815 11.182 7.411 1.00 0.00 O ATOM 0 H SER A 36 -9.262 8.284 7.143 1.00 0.00 H new ATOM 0 HA SER A 36 -10.997 9.979 5.471 1.00 0.00 H new ATOM 0 HB2 SER A 36 -10.671 9.692 8.252 1.00 0.00 H new ATOM 0 HB3 SER A 36 -9.811 11.172 7.879 1.00 0.00 H new ATOM 0 HG SER A 36 -12.063 11.545 8.287 1.00 0.00 H new ATOM 543 N THR A 37 -7.774 10.270 5.932 1.00 0.00 N ATOM 544 CA THR A 37 -6.569 10.939 5.458 1.00 0.00 C ATOM 545 C THR A 37 -5.691 9.987 4.654 1.00 0.00 C ATOM 546 O THR A 37 -5.582 8.805 4.978 1.00 0.00 O ATOM 547 CB THR A 37 -5.748 11.511 6.629 1.00 0.00 C ATOM 548 OG1 THR A 37 -5.262 10.446 7.454 1.00 0.00 O ATOM 549 CG2 THR A 37 -6.589 12.464 7.465 1.00 0.00 C ATOM 0 H THR A 37 -7.600 9.460 6.527 1.00 0.00 H new ATOM 0 HA THR A 37 -6.894 11.758 4.816 1.00 0.00 H new ATOM 0 HB THR A 37 -4.904 12.063 6.216 1.00 0.00 H new ATOM 0 HG1 THR A 37 -4.740 10.818 8.195 1.00 0.00 H new ATOM 0 HG21 THR A 37 -5.988 12.855 8.286 1.00 0.00 H new ATOM 0 HG22 THR A 37 -6.932 13.289 6.841 1.00 0.00 H new ATOM 0 HG23 THR A 37 -7.450 11.931 7.868 1.00 0.00 H new ATOM 557 N MET A 38 -5.067 10.510 3.604 1.00 0.00 N ATOM 558 CA MET A 38 -4.197 9.706 2.754 1.00 0.00 C ATOM 559 C MET A 38 -3.105 9.032 3.578 1.00 0.00 C ATOM 560 O MET A 38 -2.649 7.937 3.246 1.00 0.00 O ATOM 561 CB MET A 38 -3.566 10.575 1.665 1.00 0.00 C ATOM 562 CG MET A 38 -2.636 9.810 0.738 1.00 0.00 C ATOM 563 SD MET A 38 -3.292 8.196 0.274 1.00 0.00 S ATOM 564 CE MET A 38 -4.476 8.662 -0.987 1.00 0.00 C ATOM 0 H MET A 38 -5.148 11.487 3.321 1.00 0.00 H new ATOM 0 HA MET A 38 -4.804 8.932 2.284 1.00 0.00 H new ATOM 0 HB2 MET A 38 -4.358 11.034 1.073 1.00 0.00 H new ATOM 0 HB3 MET A 38 -3.010 11.386 2.136 1.00 0.00 H new ATOM 0 HG2 MET A 38 -2.461 10.399 -0.162 1.00 0.00 H new ATOM 0 HG3 MET A 38 -1.670 9.679 1.226 1.00 0.00 H new ATOM 0 HE1 MET A 38 -5.158 7.832 -1.170 1.00 0.00 H new ATOM 0 HE2 MET A 38 -5.043 9.530 -0.651 1.00 0.00 H new ATOM 0 HE3 MET A 38 -3.948 8.908 -1.908 1.00 0.00 H new ATOM 574 N HIS A 39 -2.688 9.692 4.654 1.00 0.00 N ATOM 575 CA HIS A 39 -1.649 9.156 5.526 1.00 0.00 C ATOM 576 C HIS A 39 -2.037 7.775 6.047 1.00 0.00 C ATOM 577 O HIS A 39 -1.276 6.817 5.917 1.00 0.00 O ATOM 578 CB HIS A 39 -1.397 10.104 6.698 1.00 0.00 C ATOM 579 CG HIS A 39 -0.061 9.913 7.348 1.00 0.00 C ATOM 580 ND1 HIS A 39 0.095 9.338 8.591 1.00 0.00 N ATOM 581 CD2 HIS A 39 1.184 10.222 6.918 1.00 0.00 C ATOM 582 CE1 HIS A 39 1.379 9.303 8.899 1.00 0.00 C ATOM 583 NE2 HIS A 39 2.062 9.833 7.900 1.00 0.00 N ATOM 0 H HIS A 39 -3.054 10.599 4.943 1.00 0.00 H new ATOM 0 HA HIS A 39 -0.733 9.061 4.943 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -1.477 11.133 6.346 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -2.178 9.961 7.444 1.00 0.00 H new ATOM 0 HD2 HIS A 39 1.440 10.688 5.978 1.00 0.00 H new ATOM 0 HE1 HIS A 39 1.799 8.908 9.812 1.00 0.00 H new ATOM 0 HE2 HIS A 39 3.076 9.936 7.864 1.00 0.00 H new ATOM 591 N GLU A 40 -3.224 7.683 6.638 1.00 0.00 N ATOM 592 CA GLU A 40 -3.711 6.420 7.180 1.00 0.00 C ATOM 593 C GLU A 40 -3.544 5.292 6.166 1.00 0.00 C ATOM 594 O GLU A 40 -2.972 4.245 6.473 1.00 0.00 O ATOM 595 CB GLU A 40 -5.182 6.545 7.583 1.00 0.00 C ATOM 596 CG GLU A 40 -5.442 7.642 8.602 1.00 0.00 C ATOM 597 CD GLU A 40 -5.475 7.121 10.025 1.00 0.00 C ATOM 598 OE1 GLU A 40 -4.404 7.078 10.667 1.00 0.00 O ATOM 599 OE2 GLU A 40 -6.572 6.756 10.498 1.00 0.00 O ATOM 0 H GLU A 40 -3.866 8.467 6.754 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.119 6.181 8.064 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.779 6.739 6.692 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.520 5.593 7.992 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.667 8.404 8.516 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.392 8.126 8.374 1.00 0.00 H new ATOM 606 N LEU A 41 -4.048 5.513 4.957 1.00 0.00 N ATOM 607 CA LEU A 41 -3.956 4.516 3.896 1.00 0.00 C ATOM 608 C LEU A 41 -2.521 4.029 3.729 1.00 0.00 C ATOM 609 O LEU A 41 -2.247 2.831 3.807 1.00 0.00 O ATOM 610 CB LEU A 41 -4.466 5.099 2.576 1.00 0.00 C ATOM 611 CG LEU A 41 -4.558 4.123 1.403 1.00 0.00 C ATOM 612 CD1 LEU A 41 -5.070 2.770 1.872 1.00 0.00 C ATOM 613 CD2 LEU A 41 -5.456 4.685 0.310 1.00 0.00 C ATOM 0 H LEU A 41 -4.524 6.373 4.687 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.578 3.666 4.175 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.455 5.524 2.748 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.811 5.921 2.288 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.558 3.987 0.990 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.129 2.089 1.023 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.388 2.362 2.618 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.060 2.888 2.311 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.510 3.977 -0.517 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.456 4.852 0.711 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.046 5.630 -0.048 1.00 0.00 H new ATOM 625 N VAL A 42 -1.606 4.966 3.501 1.00 0.00 N ATOM 626 CA VAL A 42 -0.197 4.633 3.326 1.00 0.00 C ATOM 627 C VAL A 42 0.343 3.880 4.536 1.00 0.00 C ATOM 628 O VAL A 42 1.165 2.972 4.401 1.00 0.00 O ATOM 629 CB VAL A 42 0.654 5.897 3.099 1.00 0.00 C ATOM 630 CG1 VAL A 42 2.116 5.527 2.900 1.00 0.00 C ATOM 631 CG2 VAL A 42 0.129 6.686 1.910 1.00 0.00 C ATOM 0 H VAL A 42 -1.815 5.962 3.433 1.00 0.00 H new ATOM 0 HA VAL A 42 -0.129 3.995 2.445 1.00 0.00 H new ATOM 0 HB VAL A 42 0.581 6.528 3.985 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.702 6.432 2.741 1.00 0.00 H new ATOM 0 HG12 VAL A 42 2.484 5.007 3.785 1.00 0.00 H new ATOM 0 HG13 VAL A 42 2.211 4.876 2.031 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.742 7.575 1.764 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.171 6.066 1.015 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.903 6.983 2.098 1.00 0.00 H new ATOM 641 N THR A 43 -0.123 4.262 5.721 1.00 0.00 N ATOM 642 CA THR A 43 0.314 3.624 6.957 1.00 0.00 C ATOM 643 C THR A 43 -0.441 2.322 7.199 1.00 0.00 C ATOM 644 O THR A 43 -0.049 1.513 8.040 1.00 0.00 O ATOM 645 CB THR A 43 0.115 4.553 8.169 1.00 0.00 C ATOM 646 OG1 THR A 43 1.288 5.349 8.373 1.00 0.00 O ATOM 647 CG2 THR A 43 -0.181 3.747 9.425 1.00 0.00 C ATOM 0 H THR A 43 -0.804 5.011 5.851 1.00 0.00 H new ATOM 0 HA THR A 43 1.377 3.409 6.844 1.00 0.00 H new ATOM 0 HB THR A 43 -0.735 5.204 7.965 1.00 0.00 H new ATOM 0 HG1 THR A 43 1.153 5.938 9.144 1.00 0.00 H new ATOM 0 HG21 THR A 43 -0.318 4.424 10.268 1.00 0.00 H new ATOM 0 HG22 THR A 43 -1.090 3.163 9.277 1.00 0.00 H new ATOM 0 HG23 THR A 43 0.652 3.075 9.631 1.00 0.00 H new ATOM 655 N HIS A 44 -1.526 2.125 6.457 1.00 0.00 N ATOM 656 CA HIS A 44 -2.336 0.919 6.591 1.00 0.00 C ATOM 657 C HIS A 44 -1.714 -0.241 5.821 1.00 0.00 C ATOM 658 O HIS A 44 -1.283 -1.232 6.411 1.00 0.00 O ATOM 659 CB HIS A 44 -3.757 1.175 6.090 1.00 0.00 C ATOM 660 CG HIS A 44 -4.543 -0.077 5.851 1.00 0.00 C ATOM 661 ND1 HIS A 44 -5.594 -0.471 6.652 1.00 0.00 N ATOM 662 CD2 HIS A 44 -4.427 -1.025 4.891 1.00 0.00 C ATOM 663 CE1 HIS A 44 -6.089 -1.608 6.197 1.00 0.00 C ATOM 664 NE2 HIS A 44 -5.399 -1.966 5.129 1.00 0.00 N ATOM 0 H HIS A 44 -1.865 2.785 5.757 1.00 0.00 H new ATOM 0 HA HIS A 44 -2.374 0.652 7.647 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -4.284 1.792 6.818 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -3.709 1.746 5.163 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -5.936 0.036 7.468 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -3.705 -1.039 4.088 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -6.917 -2.153 6.626 1.00 0.00 H new ATOM 672 N VAL A 45 -1.670 -0.112 4.499 1.00 0.00 N ATOM 673 CA VAL A 45 -1.100 -1.150 3.647 1.00 0.00 C ATOM 674 C VAL A 45 0.332 -1.473 4.059 1.00 0.00 C ATOM 675 O VAL A 45 0.897 -2.484 3.641 1.00 0.00 O ATOM 676 CB VAL A 45 -1.114 -0.730 2.165 1.00 0.00 C ATOM 677 CG1 VAL A 45 -0.649 -1.877 1.281 1.00 0.00 C ATOM 678 CG2 VAL A 45 -2.503 -0.262 1.758 1.00 0.00 C ATOM 0 H VAL A 45 -2.022 0.701 3.994 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.720 -2.038 3.771 1.00 0.00 H new ATOM 0 HB VAL A 45 -0.422 0.102 2.034 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -0.665 -1.562 0.238 1.00 0.00 H new ATOM 0 HG12 VAL A 45 0.366 -2.162 1.558 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -1.314 -2.731 1.413 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -2.495 0.031 0.708 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -3.217 -1.073 1.903 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -2.793 0.591 2.371 1.00 0.00 H new ATOM 688 N THR A 46 0.915 -0.608 4.883 1.00 0.00 N ATOM 689 CA THR A 46 2.282 -0.801 5.351 1.00 0.00 C ATOM 690 C THR A 46 2.366 -1.956 6.342 1.00 0.00 C ATOM 691 O THR A 46 3.022 -2.963 6.081 1.00 0.00 O ATOM 692 CB THR A 46 2.832 0.474 6.018 1.00 0.00 C ATOM 693 OG1 THR A 46 3.245 1.411 5.018 1.00 0.00 O ATOM 694 CG2 THR A 46 4.006 0.145 6.928 1.00 0.00 C ATOM 0 H THR A 46 0.462 0.233 5.240 1.00 0.00 H new ATOM 0 HA THR A 46 2.887 -1.034 4.474 1.00 0.00 H new ATOM 0 HB THR A 46 2.037 0.914 6.621 1.00 0.00 H new ATOM 0 HG1 THR A 46 2.576 2.123 4.941 1.00 0.00 H new ATOM 0 HG21 THR A 46 4.378 1.061 7.388 1.00 0.00 H new ATOM 0 HG22 THR A 46 3.681 -0.546 7.706 1.00 0.00 H new ATOM 0 HG23 THR A 46 4.802 -0.316 6.343 1.00 0.00 H new ATOM 702 N MET A 47 1.696 -1.803 7.480 1.00 0.00 N ATOM 703 CA MET A 47 1.694 -2.836 8.509 1.00 0.00 C ATOM 704 C MET A 47 0.496 -3.766 8.343 1.00 0.00 C ATOM 705 O MET A 47 0.640 -4.988 8.372 1.00 0.00 O ATOM 706 CB MET A 47 1.672 -2.200 9.900 1.00 0.00 C ATOM 707 CG MET A 47 0.321 -2.294 10.590 1.00 0.00 C ATOM 708 SD MET A 47 0.348 -1.628 12.265 1.00 0.00 S ATOM 709 CE MET A 47 0.752 0.087 11.941 1.00 0.00 C ATOM 0 H MET A 47 1.148 -0.975 7.712 1.00 0.00 H new ATOM 0 HA MET A 47 2.606 -3.424 8.401 1.00 0.00 H new ATOM 0 HB2 MET A 47 2.424 -2.684 10.524 1.00 0.00 H new ATOM 0 HB3 MET A 47 1.955 -1.151 9.815 1.00 0.00 H new ATOM 0 HG2 MET A 47 -0.421 -1.755 10.001 1.00 0.00 H new ATOM 0 HG3 MET A 47 0.006 -3.337 10.623 1.00 0.00 H new ATOM 0 HE1 MET A 47 0.497 0.692 12.812 1.00 0.00 H new ATOM 0 HE2 MET A 47 1.819 0.177 11.736 1.00 0.00 H new ATOM 0 HE3 MET A 47 0.186 0.437 11.078 1.00 0.00 H new ATOM 719 N GLU A 48 -0.684 -3.179 8.171 1.00 0.00 N ATOM 720 CA GLU A 48 -1.906 -3.957 8.003 1.00 0.00 C ATOM 721 C GLU A 48 -1.721 -5.038 6.942 1.00 0.00 C ATOM 722 O GLU A 48 -2.203 -6.161 7.093 1.00 0.00 O ATOM 723 CB GLU A 48 -3.070 -3.042 7.616 1.00 0.00 C ATOM 724 CG GLU A 48 -3.210 -1.824 8.513 1.00 0.00 C ATOM 725 CD GLU A 48 -3.338 -2.190 9.979 1.00 0.00 C ATOM 726 OE1 GLU A 48 -2.417 -2.846 10.508 1.00 0.00 O ATOM 727 OE2 GLU A 48 -4.359 -1.821 10.596 1.00 0.00 O ATOM 0 H GLU A 48 -0.820 -2.168 8.144 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.133 -4.440 8.954 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.934 -2.711 6.586 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.997 -3.614 7.647 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.343 -1.177 8.378 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.086 -1.251 8.208 1.00 0.00 H new ATOM 734 N HIS A 49 -1.019 -4.691 5.868 1.00 0.00 N ATOM 735 CA HIS A 49 -0.769 -5.632 4.781 1.00 0.00 C ATOM 736 C HIS A 49 0.713 -5.983 4.696 1.00 0.00 C ATOM 737 O HIS A 49 1.141 -7.034 5.173 1.00 0.00 O ATOM 738 CB HIS A 49 -1.243 -5.044 3.451 1.00 0.00 C ATOM 739 CG HIS A 49 -2.732 -4.924 3.347 1.00 0.00 C ATOM 740 ND1 HIS A 49 -3.597 -5.929 3.724 1.00 0.00 N ATOM 741 CD2 HIS A 49 -3.509 -3.907 2.906 1.00 0.00 C ATOM 742 CE1 HIS A 49 -4.841 -5.537 3.518 1.00 0.00 C ATOM 743 NE2 HIS A 49 -4.816 -4.313 3.022 1.00 0.00 N ATOM 0 H HIS A 49 -0.613 -3.766 5.727 1.00 0.00 H new ATOM 0 HA HIS A 49 -1.329 -6.544 4.987 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -0.797 -4.058 3.319 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -0.879 -5.670 2.636 1.00 0.00 H new ATOM 0 HD1 HIS A 49 -3.319 -6.834 4.103 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -3.165 -2.954 2.532 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -5.728 -6.118 3.721 1.00 0.00 H new ATOM 751 N VAL A 50 1.493 -5.095 4.086 1.00 0.00 N ATOM 752 CA VAL A 50 2.927 -5.311 3.939 1.00 0.00 C ATOM 753 C VAL A 50 3.538 -5.843 5.231 1.00 0.00 C ATOM 754 O VAL A 50 4.585 -6.488 5.215 1.00 0.00 O ATOM 755 CB VAL A 50 3.652 -4.013 3.537 1.00 0.00 C ATOM 756 CG1 VAL A 50 5.022 -3.940 4.194 1.00 0.00 C ATOM 757 CG2 VAL A 50 3.772 -3.917 2.024 1.00 0.00 C ATOM 0 H VAL A 50 1.155 -4.220 3.686 1.00 0.00 H new ATOM 0 HA VAL A 50 3.056 -6.050 3.148 1.00 0.00 H new ATOM 0 HB VAL A 50 3.063 -3.165 3.887 1.00 0.00 H new ATOM 0 HG11 VAL A 50 5.519 -3.016 3.898 1.00 0.00 H new ATOM 0 HG12 VAL A 50 4.907 -3.959 5.278 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.623 -4.793 3.878 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.287 -2.994 1.758 1.00 0.00 H new ATOM 0 HG22 VAL A 50 4.338 -4.769 1.649 1.00 0.00 H new ATOM 0 HG23 VAL A 50 2.777 -3.919 1.579 1.00 0.00 H new ATOM 767 N GLY A 51 2.876 -5.566 6.350 1.00 0.00 N ATOM 768 CA GLY A 51 3.369 -6.024 7.636 1.00 0.00 C ATOM 769 C GLY A 51 4.395 -5.081 8.232 1.00 0.00 C ATOM 770 O GLY A 51 4.254 -4.640 9.372 1.00 0.00 O ATOM 0 H GLY A 51 2.007 -5.033 6.389 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.532 -6.129 8.326 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.813 -7.013 7.520 1.00 0.00 H new ATOM 774 N GLY A 52 5.432 -4.773 7.461 1.00 0.00 N ATOM 775 CA GLY A 52 6.472 -3.880 7.937 1.00 0.00 C ATOM 776 C GLY A 52 7.834 -4.218 7.365 1.00 0.00 C ATOM 777 O GLY A 52 7.951 -4.900 6.346 1.00 0.00 O ATOM 0 H GLY A 52 5.571 -5.126 6.514 1.00 0.00 H new ATOM 0 HA2 GLY A 52 6.215 -2.854 7.672 1.00 0.00 H new ATOM 0 HA3 GLY A 52 6.517 -3.927 9.025 1.00 0.00 H new ATOM 781 N PRO A 53 8.896 -3.733 8.026 1.00 0.00 N ATOM 782 CA PRO A 53 10.276 -3.973 7.594 1.00 0.00 C ATOM 783 C PRO A 53 10.698 -5.426 7.784 1.00 0.00 C ATOM 784 O PRO A 53 11.807 -5.812 7.419 1.00 0.00 O ATOM 785 CB PRO A 53 11.097 -3.055 8.501 1.00 0.00 C ATOM 786 CG PRO A 53 10.258 -2.876 9.719 1.00 0.00 C ATOM 787 CD PRO A 53 8.830 -2.913 9.247 1.00 0.00 C ATOM 0 HA PRO A 53 10.410 -3.775 6.531 1.00 0.00 H new ATOM 0 HB2 PRO A 53 12.061 -3.500 8.746 1.00 0.00 H new ATOM 0 HB3 PRO A 53 11.301 -2.100 8.017 1.00 0.00 H new ATOM 0 HG2 PRO A 53 10.450 -3.666 10.445 1.00 0.00 H new ATOM 0 HG3 PRO A 53 10.482 -1.930 10.212 1.00 0.00 H new ATOM 0 HD2 PRO A 53 8.171 -3.356 9.994 1.00 0.00 H new ATOM 0 HD3 PRO A 53 8.449 -1.913 9.039 1.00 0.00 H new ATOM 795 N GLU A 54 9.805 -6.227 8.358 1.00 0.00 N ATOM 796 CA GLU A 54 10.087 -7.638 8.596 1.00 0.00 C ATOM 797 C GLU A 54 8.895 -8.505 8.200 1.00 0.00 C ATOM 798 O GLU A 54 8.139 -8.965 9.054 1.00 0.00 O ATOM 799 CB GLU A 54 10.433 -7.870 10.069 1.00 0.00 C ATOM 800 CG GLU A 54 11.855 -7.475 10.429 1.00 0.00 C ATOM 801 CD GLU A 54 12.845 -8.603 10.214 1.00 0.00 C ATOM 802 OE1 GLU A 54 12.447 -9.778 10.356 1.00 0.00 O ATOM 803 OE2 GLU A 54 14.019 -8.311 9.903 1.00 0.00 O ATOM 0 H GLU A 54 8.881 -5.923 8.666 1.00 0.00 H new ATOM 0 HA GLU A 54 10.941 -7.921 7.980 1.00 0.00 H new ATOM 0 HB2 GLU A 54 9.739 -7.304 10.690 1.00 0.00 H new ATOM 0 HB3 GLU A 54 10.286 -8.924 10.306 1.00 0.00 H new ATOM 0 HG2 GLU A 54 12.153 -6.616 9.828 1.00 0.00 H new ATOM 0 HG3 GLU A 54 11.888 -7.161 11.472 1.00 0.00 H new ATOM 810 N GLN A 55 8.737 -8.723 6.898 1.00 0.00 N ATOM 811 CA GLN A 55 7.637 -9.534 6.388 1.00 0.00 C ATOM 812 C GLN A 55 8.155 -10.640 5.475 1.00 0.00 C ATOM 813 O GLN A 55 9.297 -10.599 5.020 1.00 0.00 O ATOM 814 CB GLN A 55 6.638 -8.657 5.631 1.00 0.00 C ATOM 815 CG GLN A 55 5.202 -9.145 5.734 1.00 0.00 C ATOM 816 CD GLN A 55 4.440 -8.995 4.432 1.00 0.00 C ATOM 817 OE1 GLN A 55 3.359 -8.408 4.395 1.00 0.00 O ATOM 818 NE2 GLN A 55 5.002 -9.528 3.353 1.00 0.00 N ATOM 0 H GLN A 55 9.356 -8.350 6.178 1.00 0.00 H new ATOM 0 HA GLN A 55 7.134 -9.995 7.238 1.00 0.00 H new ATOM 0 HB2 GLN A 55 6.696 -7.639 6.016 1.00 0.00 H new ATOM 0 HB3 GLN A 55 6.925 -8.617 4.580 1.00 0.00 H new ATOM 0 HG2 GLN A 55 5.199 -10.193 6.034 1.00 0.00 H new ATOM 0 HG3 GLN A 55 4.688 -8.588 6.518 1.00 0.00 H new ATOM 0 HE21 GLN A 55 5.900 -10.006 3.429 1.00 0.00 H new ATOM 0 HE22 GLN A 55 4.536 -9.459 2.448 1.00 0.00 H new ATOM 827 N ASN A 56 7.307 -11.629 5.212 1.00 0.00 N ATOM 828 CA ASN A 56 7.679 -12.748 4.354 1.00 0.00 C ATOM 829 C ASN A 56 7.080 -12.587 2.960 1.00 0.00 C ATOM 830 O ASN A 56 5.873 -12.728 2.772 1.00 0.00 O ATOM 831 CB ASN A 56 7.214 -14.068 4.972 1.00 0.00 C ATOM 832 CG ASN A 56 5.724 -14.291 4.805 1.00 0.00 C ATOM 833 OD1 ASN A 56 4.912 -13.454 5.198 1.00 0.00 O ATOM 834 ND2 ASN A 56 5.358 -15.425 4.219 1.00 0.00 N ATOM 0 H ASN A 56 6.357 -11.678 5.581 1.00 0.00 H new ATOM 0 HA ASN A 56 8.765 -12.759 4.264 1.00 0.00 H new ATOM 0 HB2 ASN A 56 7.756 -14.893 4.510 1.00 0.00 H new ATOM 0 HB3 ASN A 56 7.463 -14.077 6.033 1.00 0.00 H new ATOM 0 HD21 ASN A 56 4.369 -15.631 4.079 1.00 0.00 H new ATOM 0 HD22 ASN A 56 6.066 -16.090 3.909 1.00 0.00 H new ATOM 841 N ASN A 57 7.934 -12.291 1.985 1.00 0.00 N ATOM 842 CA ASN A 57 7.490 -12.111 0.608 1.00 0.00 C ATOM 843 C ASN A 57 6.680 -10.827 0.461 1.00 0.00 C ATOM 844 O ASN A 57 5.473 -10.809 0.707 1.00 0.00 O ATOM 845 CB ASN A 57 6.651 -13.310 0.160 1.00 0.00 C ATOM 846 CG ASN A 57 7.012 -13.778 -1.237 1.00 0.00 C ATOM 847 OD1 ASN A 57 6.207 -13.680 -2.163 1.00 0.00 O ATOM 848 ND2 ASN A 57 8.227 -14.291 -1.393 1.00 0.00 N ATOM 0 H ASN A 57 8.937 -12.171 2.124 1.00 0.00 H new ATOM 0 HA ASN A 57 8.374 -12.037 -0.026 1.00 0.00 H new ATOM 0 HB2 ASN A 57 6.791 -14.131 0.863 1.00 0.00 H new ATOM 0 HB3 ASN A 57 5.595 -13.042 0.189 1.00 0.00 H new ATOM 0 HD21 ASN A 57 8.526 -14.624 -2.310 1.00 0.00 H new ATOM 0 HD22 ASN A 57 8.861 -14.352 -0.596 1.00 0.00 H new ATOM 855 N HIS A 58 7.352 -9.753 0.058 1.00 0.00 N ATOM 856 CA HIS A 58 6.695 -8.463 -0.123 1.00 0.00 C ATOM 857 C HIS A 58 6.085 -8.355 -1.517 1.00 0.00 C ATOM 858 O HIS A 58 6.779 -8.051 -2.487 1.00 0.00 O ATOM 859 CB HIS A 58 7.690 -7.324 0.101 1.00 0.00 C ATOM 860 CG HIS A 58 8.146 -7.198 1.522 1.00 0.00 C ATOM 861 ND1 HIS A 58 9.320 -7.752 1.988 1.00 0.00 N ATOM 862 CD2 HIS A 58 7.579 -6.575 2.582 1.00 0.00 C ATOM 863 CE1 HIS A 58 9.454 -7.476 3.273 1.00 0.00 C ATOM 864 NE2 HIS A 58 8.411 -6.763 3.658 1.00 0.00 N ATOM 0 H HIS A 58 8.351 -9.750 -0.149 1.00 0.00 H new ATOM 0 HA HIS A 58 5.894 -8.385 0.612 1.00 0.00 H new ATOM 0 HB2 HIS A 58 8.559 -7.481 -0.538 1.00 0.00 H new ATOM 0 HB3 HIS A 58 7.231 -6.385 -0.209 1.00 0.00 H new ATOM 0 HD2 HIS A 58 6.646 -6.031 2.581 1.00 0.00 H new ATOM 0 HE1 HIS A 58 10.277 -7.782 3.902 1.00 0.00 H new ATOM 0 HE2 HIS A 58 8.250 -6.410 4.601 1.00 0.00 H new ATOM 872 N VAL A 59 4.783 -8.607 -1.610 1.00 0.00 N ATOM 873 CA VAL A 59 4.080 -8.538 -2.885 1.00 0.00 C ATOM 874 C VAL A 59 3.055 -7.409 -2.887 1.00 0.00 C ATOM 875 O VAL A 59 2.410 -7.140 -1.873 1.00 0.00 O ATOM 876 CB VAL A 59 3.367 -9.865 -3.206 1.00 0.00 C ATOM 877 CG1 VAL A 59 2.853 -9.862 -4.637 1.00 0.00 C ATOM 878 CG2 VAL A 59 4.301 -11.042 -2.968 1.00 0.00 C ATOM 0 H VAL A 59 4.194 -8.861 -0.817 1.00 0.00 H new ATOM 0 HA VAL A 59 4.831 -8.344 -3.650 1.00 0.00 H new ATOM 0 HB VAL A 59 2.511 -9.969 -2.539 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.352 -10.807 -4.846 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.148 -9.041 -4.769 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.690 -9.735 -5.324 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.781 -11.972 -3.200 1.00 0.00 H new ATOM 0 HG22 VAL A 59 5.177 -10.947 -3.609 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.615 -11.052 -1.924 1.00 0.00 H new ATOM 888 N CYS A 60 2.909 -6.752 -4.033 1.00 0.00 N ATOM 889 CA CYS A 60 1.963 -5.651 -4.168 1.00 0.00 C ATOM 890 C CYS A 60 0.599 -6.160 -4.627 1.00 0.00 C ATOM 891 O CYS A 60 0.402 -6.463 -5.804 1.00 0.00 O ATOM 892 CB CYS A 60 2.492 -4.614 -5.161 1.00 0.00 C ATOM 893 SG CYS A 60 1.337 -3.246 -5.494 1.00 0.00 S ATOM 0 H CYS A 60 3.434 -6.963 -4.882 1.00 0.00 H new ATOM 0 HA CYS A 60 1.848 -5.182 -3.191 1.00 0.00 H new ATOM 0 HB2 CYS A 60 3.425 -4.202 -4.777 1.00 0.00 H new ATOM 0 HB3 CYS A 60 2.727 -5.114 -6.101 1.00 0.00 H new ATOM 898 N TYR A 61 -0.338 -6.252 -3.690 1.00 0.00 N ATOM 899 CA TYR A 61 -1.682 -6.726 -3.996 1.00 0.00 C ATOM 900 C TYR A 61 -2.635 -5.555 -4.219 1.00 0.00 C ATOM 901 O TYR A 61 -2.791 -4.694 -3.354 1.00 0.00 O ATOM 902 CB TYR A 61 -2.203 -7.613 -2.865 1.00 0.00 C ATOM 903 CG TYR A 61 -1.566 -8.984 -2.828 1.00 0.00 C ATOM 904 CD1 TYR A 61 -1.731 -9.877 -3.879 1.00 0.00 C ATOM 905 CD2 TYR A 61 -0.797 -9.385 -1.742 1.00 0.00 C ATOM 906 CE1 TYR A 61 -1.151 -11.131 -3.849 1.00 0.00 C ATOM 907 CE2 TYR A 61 -0.213 -10.636 -1.704 1.00 0.00 C ATOM 908 CZ TYR A 61 -0.393 -11.505 -2.759 1.00 0.00 C ATOM 909 OH TYR A 61 0.188 -12.753 -2.726 1.00 0.00 O ATOM 0 H TYR A 61 -0.191 -6.004 -2.711 1.00 0.00 H new ATOM 0 HA TYR A 61 -1.633 -7.311 -4.914 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -2.026 -7.114 -1.912 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -3.282 -7.726 -2.971 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -2.323 -9.586 -4.734 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -0.654 -8.707 -0.914 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -1.290 -11.814 -4.674 1.00 0.00 H new ATOM 0 HE2 TYR A 61 0.382 -10.932 -0.852 1.00 0.00 H new ATOM 0 HH TYR A 61 0.689 -12.859 -1.890 1.00 0.00 H new ATOM 919 N TRP A 62 -3.270 -5.532 -5.386 1.00 0.00 N ATOM 920 CA TRP A 62 -4.208 -4.468 -5.724 1.00 0.00 C ATOM 921 C TRP A 62 -5.162 -4.914 -6.827 1.00 0.00 C ATOM 922 O TRP A 62 -4.894 -5.884 -7.535 1.00 0.00 O ATOM 923 CB TRP A 62 -3.452 -3.213 -6.163 1.00 0.00 C ATOM 924 CG TRP A 62 -4.198 -1.943 -5.887 1.00 0.00 C ATOM 925 CD1 TRP A 62 -4.722 -1.083 -6.809 1.00 0.00 C ATOM 926 CD2 TRP A 62 -4.502 -1.390 -4.602 1.00 0.00 C ATOM 927 NE1 TRP A 62 -5.332 -0.028 -6.175 1.00 0.00 N ATOM 928 CE2 TRP A 62 -5.212 -0.193 -4.821 1.00 0.00 C ATOM 929 CE3 TRP A 62 -4.245 -1.789 -3.287 1.00 0.00 C ATOM 930 CZ2 TRP A 62 -5.666 0.605 -3.774 1.00 0.00 C ATOM 931 CZ3 TRP A 62 -4.695 -0.995 -2.250 1.00 0.00 C ATOM 932 CH2 TRP A 62 -5.400 0.190 -2.498 1.00 0.00 C ATOM 0 H TRP A 62 -3.152 -6.238 -6.113 1.00 0.00 H new ATOM 0 HA TRP A 62 -4.793 -4.237 -4.834 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -2.490 -3.179 -5.651 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -3.243 -3.278 -7.231 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -4.665 -1.213 -7.880 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -5.799 0.752 -6.638 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -3.704 -2.702 -3.085 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -6.209 1.519 -3.963 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -4.500 -1.293 -1.230 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -5.740 0.788 -1.665 1.00 0.00 H new ATOM 943 N GLU A 63 -6.274 -4.199 -6.966 1.00 0.00 N ATOM 944 CA GLU A 63 -7.267 -4.524 -7.984 1.00 0.00 C ATOM 945 C GLU A 63 -6.775 -4.122 -9.372 1.00 0.00 C ATOM 946 O GLU A 63 -7.015 -4.825 -10.353 1.00 0.00 O ATOM 947 CB GLU A 63 -8.591 -3.822 -7.678 1.00 0.00 C ATOM 948 CG GLU A 63 -9.363 -3.408 -8.920 1.00 0.00 C ATOM 949 CD GLU A 63 -10.729 -2.835 -8.595 1.00 0.00 C ATOM 950 OE1 GLU A 63 -10.849 -2.138 -7.566 1.00 0.00 O ATOM 951 OE2 GLU A 63 -11.676 -3.084 -9.369 1.00 0.00 O ATOM 0 H GLU A 63 -6.510 -3.392 -6.388 1.00 0.00 H new ATOM 0 HA GLU A 63 -7.424 -5.603 -7.971 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -9.214 -4.485 -7.078 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -8.392 -2.938 -7.073 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.785 -2.667 -9.472 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -9.482 -4.272 -9.574 1.00 0.00 H new ATOM 958 N GLU A 64 -6.086 -2.988 -9.444 1.00 0.00 N ATOM 959 CA GLU A 64 -5.562 -2.492 -10.711 1.00 0.00 C ATOM 960 C GLU A 64 -4.069 -2.196 -10.603 1.00 0.00 C ATOM 961 O GLU A 64 -3.651 -1.037 -10.628 1.00 0.00 O ATOM 962 CB GLU A 64 -6.313 -1.231 -11.141 1.00 0.00 C ATOM 963 CG GLU A 64 -7.741 -1.497 -11.588 1.00 0.00 C ATOM 964 CD GLU A 64 -8.023 -0.974 -12.983 1.00 0.00 C ATOM 965 OE1 GLU A 64 -7.709 0.205 -13.250 1.00 0.00 O ATOM 966 OE2 GLU A 64 -8.557 -1.745 -13.809 1.00 0.00 O ATOM 0 H GLU A 64 -5.878 -2.396 -8.640 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.708 -3.267 -11.463 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.326 -0.525 -10.311 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -5.769 -0.754 -11.956 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -7.932 -2.570 -11.561 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -8.431 -1.032 -10.884 1.00 0.00 H new ATOM 973 N CYS A 65 -3.269 -3.250 -10.482 1.00 0.00 N ATOM 974 CA CYS A 65 -1.823 -3.105 -10.369 1.00 0.00 C ATOM 975 C CYS A 65 -1.121 -3.680 -11.596 1.00 0.00 C ATOM 976 O CYS A 65 -1.520 -4.706 -12.146 1.00 0.00 O ATOM 977 CB CYS A 65 -1.316 -3.801 -9.104 1.00 0.00 C ATOM 978 SG CYS A 65 0.467 -4.173 -9.123 1.00 0.00 S ATOM 0 H CYS A 65 -3.598 -4.215 -10.460 1.00 0.00 H new ATOM 0 HA CYS A 65 -1.594 -2.041 -10.306 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -1.535 -3.170 -8.243 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -1.869 -4.731 -8.967 1.00 0.00 H new ATOM 983 N PRO A 66 -0.049 -3.004 -12.035 1.00 0.00 N ATOM 984 CA PRO A 66 0.732 -3.430 -13.200 1.00 0.00 C ATOM 985 C PRO A 66 1.524 -4.705 -12.933 1.00 0.00 C ATOM 986 O PRO A 66 1.611 -5.584 -13.791 1.00 0.00 O ATOM 987 CB PRO A 66 1.680 -2.252 -13.441 1.00 0.00 C ATOM 988 CG PRO A 66 1.811 -1.594 -12.111 1.00 0.00 C ATOM 989 CD PRO A 66 0.484 -1.773 -11.428 1.00 0.00 C ATOM 0 HA PRO A 66 0.096 -3.665 -14.053 1.00 0.00 H new ATOM 0 HB2 PRO A 66 2.647 -2.591 -13.812 1.00 0.00 H new ATOM 0 HB3 PRO A 66 1.277 -1.565 -14.185 1.00 0.00 H new ATOM 0 HG2 PRO A 66 2.614 -2.047 -11.529 1.00 0.00 H new ATOM 0 HG3 PRO A 66 2.054 -0.537 -12.221 1.00 0.00 H new ATOM 0 HD2 PRO A 66 0.598 -1.874 -10.349 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -0.175 -0.922 -11.601 1.00 0.00 H new ATOM 997 N ARG A 67 2.099 -4.800 -11.739 1.00 0.00 N ATOM 998 CA ARG A 67 2.884 -5.969 -11.360 1.00 0.00 C ATOM 999 C ARG A 67 1.982 -7.177 -11.124 1.00 0.00 C ATOM 1000 O ARG A 67 2.435 -8.320 -11.172 1.00 0.00 O ATOM 1001 CB ARG A 67 3.700 -5.675 -10.100 1.00 0.00 C ATOM 1002 CG ARG A 67 3.921 -4.192 -9.850 1.00 0.00 C ATOM 1003 CD ARG A 67 5.289 -3.927 -9.241 1.00 0.00 C ATOM 1004 NE ARG A 67 6.348 -3.944 -10.246 1.00 0.00 N ATOM 1005 CZ ARG A 67 6.475 -3.023 -11.195 1.00 0.00 C ATOM 1006 NH1 ARG A 67 5.614 -2.018 -11.267 1.00 0.00 N ATOM 1007 NH2 ARG A 67 7.466 -3.106 -12.073 1.00 0.00 N ATOM 0 H ARG A 67 2.036 -4.082 -11.017 1.00 0.00 H new ATOM 0 HA ARG A 67 3.564 -6.200 -12.180 1.00 0.00 H new ATOM 0 HB2 ARG A 67 3.191 -6.108 -9.239 1.00 0.00 H new ATOM 0 HB3 ARG A 67 4.668 -6.169 -10.181 1.00 0.00 H new ATOM 0 HG2 ARG A 67 3.828 -3.646 -10.789 1.00 0.00 H new ATOM 0 HG3 ARG A 67 3.146 -3.815 -9.183 1.00 0.00 H new ATOM 0 HD2 ARG A 67 5.281 -2.959 -8.739 1.00 0.00 H new ATOM 0 HD3 ARG A 67 5.499 -4.679 -8.480 1.00 0.00 H new ATOM 0 HE ARG A 67 7.027 -4.704 -10.218 1.00 0.00 H new ATOM 0 HH11 ARG A 67 4.852 -1.950 -10.593 1.00 0.00 H new ATOM 0 HH12 ARG A 67 5.714 -1.312 -11.997 1.00 0.00 H new ATOM 0 HH21 ARG A 67 8.131 -3.877 -12.020 1.00 0.00 H new ATOM 0 HH22 ARG A 67 7.563 -2.398 -12.801 1.00 0.00 H new ATOM 1021 N GLU A 68 0.704 -6.914 -10.870 1.00 0.00 N ATOM 1022 CA GLU A 68 -0.260 -7.980 -10.626 1.00 0.00 C ATOM 1023 C GLU A 68 -0.067 -8.581 -9.236 1.00 0.00 C ATOM 1024 O GLU A 68 -0.970 -8.543 -8.401 1.00 0.00 O ATOM 1025 CB GLU A 68 -0.126 -9.072 -11.689 1.00 0.00 C ATOM 1026 CG GLU A 68 0.044 -8.532 -13.099 1.00 0.00 C ATOM 1027 CD GLU A 68 0.052 -9.628 -14.146 1.00 0.00 C ATOM 1028 OE1 GLU A 68 -1.000 -10.271 -14.342 1.00 0.00 O ATOM 1029 OE2 GLU A 68 1.113 -9.843 -14.771 1.00 0.00 O ATOM 0 H GLU A 68 0.313 -5.973 -10.828 1.00 0.00 H new ATOM 0 HA GLU A 68 -1.260 -7.550 -10.681 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.729 -9.702 -11.445 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -1.010 -9.709 -11.657 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.764 -7.833 -13.316 1.00 0.00 H new ATOM 0 HG3 GLU A 68 0.976 -7.970 -13.159 1.00 0.00 H new ATOM 1036 N GLY A 69 1.117 -9.136 -8.997 1.00 0.00 N ATOM 1037 CA GLY A 69 1.408 -9.737 -7.709 1.00 0.00 C ATOM 1038 C GLY A 69 2.837 -10.232 -7.609 1.00 0.00 C ATOM 1039 O GLY A 69 3.122 -11.189 -6.888 1.00 0.00 O ATOM 0 H GLY A 69 1.880 -9.180 -9.673 1.00 0.00 H new ATOM 0 HA2 GLY A 69 1.224 -9.007 -6.921 1.00 0.00 H new ATOM 0 HA3 GLY A 69 0.726 -10.570 -7.538 1.00 0.00 H new ATOM 1043 N LYS A 70 3.739 -9.581 -8.336 1.00 0.00 N ATOM 1044 CA LYS A 70 5.147 -9.960 -8.328 1.00 0.00 C ATOM 1045 C LYS A 70 5.844 -9.435 -7.077 1.00 0.00 C ATOM 1046 O LYS A 70 5.763 -8.248 -6.762 1.00 0.00 O ATOM 1047 CB LYS A 70 5.848 -9.424 -9.579 1.00 0.00 C ATOM 1048 CG LYS A 70 5.995 -10.457 -10.683 1.00 0.00 C ATOM 1049 CD LYS A 70 6.006 -9.807 -12.056 1.00 0.00 C ATOM 1050 CE LYS A 70 7.073 -8.728 -12.154 1.00 0.00 C ATOM 1051 NZ LYS A 70 7.438 -8.436 -13.568 1.00 0.00 N ATOM 0 H LYS A 70 3.520 -8.788 -8.939 1.00 0.00 H new ATOM 0 HA LYS A 70 5.205 -11.048 -8.325 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.287 -8.572 -9.963 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.836 -9.057 -9.302 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.918 -11.018 -10.537 1.00 0.00 H new ATOM 0 HG3 LYS A 70 5.175 -11.173 -10.625 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.184 -10.566 -12.818 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.028 -9.372 -12.262 1.00 0.00 H new ATOM 0 HE2 LYS A 70 6.713 -7.817 -11.676 1.00 0.00 H new ATOM 0 HE3 LYS A 70 7.961 -9.045 -11.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 8.168 -7.696 -13.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 7.805 -9.299 -14.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 6.596 -8.109 -14.083 1.00 0.00 H new ATOM 1065 N SER A 71 6.531 -10.326 -6.370 1.00 0.00 N ATOM 1066 CA SER A 71 7.241 -9.953 -5.152 1.00 0.00 C ATOM 1067 C SER A 71 8.378 -8.984 -5.462 1.00 0.00 C ATOM 1068 O SER A 71 8.969 -9.027 -6.541 1.00 0.00 O ATOM 1069 CB SER A 71 7.792 -11.198 -4.455 1.00 0.00 C ATOM 1070 OG SER A 71 8.950 -10.889 -3.699 1.00 0.00 O ATOM 0 H SER A 71 6.611 -11.312 -6.620 1.00 0.00 H new ATOM 0 HA SER A 71 6.535 -9.457 -4.487 1.00 0.00 H new ATOM 0 HB2 SER A 71 7.029 -11.620 -3.801 1.00 0.00 H new ATOM 0 HB3 SER A 71 8.031 -11.959 -5.198 1.00 0.00 H new ATOM 0 HG SER A 71 9.282 -11.701 -3.262 1.00 0.00 H new ATOM 1076 N PHE A 72 8.678 -8.109 -4.507 1.00 0.00 N ATOM 1077 CA PHE A 72 9.743 -7.128 -4.677 1.00 0.00 C ATOM 1078 C PHE A 72 11.070 -7.669 -4.151 1.00 0.00 C ATOM 1079 O PHE A 72 11.860 -8.244 -4.900 1.00 0.00 O ATOM 1080 CB PHE A 72 9.388 -5.827 -3.954 1.00 0.00 C ATOM 1081 CG PHE A 72 8.674 -4.833 -4.825 1.00 0.00 C ATOM 1082 CD1 PHE A 72 7.299 -4.893 -4.984 1.00 0.00 C ATOM 1083 CD2 PHE A 72 9.379 -3.839 -5.485 1.00 0.00 C ATOM 1084 CE1 PHE A 72 6.640 -3.979 -5.785 1.00 0.00 C ATOM 1085 CE2 PHE A 72 8.725 -2.923 -6.286 1.00 0.00 C ATOM 1086 CZ PHE A 72 7.354 -2.993 -6.437 1.00 0.00 C ATOM 0 H PHE A 72 8.199 -8.060 -3.608 1.00 0.00 H new ATOM 0 HA PHE A 72 9.849 -6.926 -5.743 1.00 0.00 H new ATOM 0 HB2 PHE A 72 8.762 -6.059 -3.092 1.00 0.00 H new ATOM 0 HB3 PHE A 72 10.302 -5.372 -3.571 1.00 0.00 H new ATOM 0 HD1 PHE A 72 6.736 -5.662 -4.477 1.00 0.00 H new ATOM 0 HD2 PHE A 72 10.451 -3.780 -5.372 1.00 0.00 H new ATOM 0 HE1 PHE A 72 5.568 -4.036 -5.901 1.00 0.00 H new ATOM 0 HE2 PHE A 72 9.286 -2.152 -6.794 1.00 0.00 H new ATOM 0 HZ PHE A 72 6.841 -2.278 -7.064 1.00 0.00 H new ATOM 1096 N LYS A 73 11.308 -7.479 -2.858 1.00 0.00 N ATOM 1097 CA LYS A 73 12.538 -7.948 -2.229 1.00 0.00 C ATOM 1098 C LYS A 73 12.664 -7.404 -0.809 1.00 0.00 C ATOM 1099 O LYS A 73 13.173 -8.083 0.082 1.00 0.00 O ATOM 1100 CB LYS A 73 13.752 -7.525 -3.059 1.00 0.00 C ATOM 1101 CG LYS A 73 14.463 -8.686 -3.733 1.00 0.00 C ATOM 1102 CD LYS A 73 15.579 -9.237 -2.863 1.00 0.00 C ATOM 1103 CE LYS A 73 16.613 -8.169 -2.539 1.00 0.00 C ATOM 1104 NZ LYS A 73 16.872 -7.277 -3.703 1.00 0.00 N ATOM 0 H LYS A 73 10.665 -7.003 -2.224 1.00 0.00 H new ATOM 0 HA LYS A 73 12.501 -9.036 -2.180 1.00 0.00 H new ATOM 0 HB2 LYS A 73 13.431 -6.815 -3.821 1.00 0.00 H new ATOM 0 HB3 LYS A 73 14.458 -7.003 -2.414 1.00 0.00 H new ATOM 0 HG2 LYS A 73 13.745 -9.477 -3.950 1.00 0.00 H new ATOM 0 HG3 LYS A 73 14.873 -8.358 -4.688 1.00 0.00 H new ATOM 0 HD2 LYS A 73 15.159 -9.631 -1.937 1.00 0.00 H new ATOM 0 HD3 LYS A 73 16.062 -10.070 -3.374 1.00 0.00 H new ATOM 0 HE2 LYS A 73 16.267 -7.573 -1.694 1.00 0.00 H new ATOM 0 HE3 LYS A 73 17.544 -8.646 -2.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 17.809 -6.838 -3.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 16.843 -7.834 -4.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 16.144 -6.535 -3.740 1.00 0.00 H new ATOM 1118 N ALA A 74 12.196 -6.177 -0.607 1.00 0.00 N ATOM 1119 CA ALA A 74 12.254 -5.545 0.705 1.00 0.00 C ATOM 1120 C ALA A 74 10.929 -4.874 1.050 1.00 0.00 C ATOM 1121 O ALA A 74 10.006 -4.844 0.236 1.00 0.00 O ATOM 1122 CB ALA A 74 13.388 -4.532 0.753 1.00 0.00 C ATOM 0 H ALA A 74 11.773 -5.601 -1.335 1.00 0.00 H new ATOM 0 HA ALA A 74 12.443 -6.321 1.447 1.00 0.00 H new ATOM 0 HB1 ALA A 74 13.420 -4.068 1.739 1.00 0.00 H new ATOM 0 HB2 ALA A 74 14.335 -5.036 0.559 1.00 0.00 H new ATOM 0 HB3 ALA A 74 13.223 -3.765 -0.004 1.00 0.00 H new ATOM 1128 N LYS A 75 10.840 -4.338 2.263 1.00 0.00 N ATOM 1129 CA LYS A 75 9.628 -3.667 2.717 1.00 0.00 C ATOM 1130 C LYS A 75 9.445 -2.332 2.003 1.00 0.00 C ATOM 1131 O LYS A 75 8.448 -2.117 1.313 1.00 0.00 O ATOM 1132 CB LYS A 75 9.679 -3.445 4.230 1.00 0.00 C ATOM 1133 CG LYS A 75 8.723 -2.372 4.720 1.00 0.00 C ATOM 1134 CD LYS A 75 9.469 -1.141 5.207 1.00 0.00 C ATOM 1135 CE LYS A 75 8.702 -0.423 6.307 1.00 0.00 C ATOM 1136 NZ LYS A 75 9.500 0.682 6.909 1.00 0.00 N ATOM 0 H LYS A 75 11.594 -4.356 2.950 1.00 0.00 H new ATOM 0 HA LYS A 75 8.778 -4.306 2.478 1.00 0.00 H new ATOM 0 HB2 LYS A 75 9.448 -4.383 4.734 1.00 0.00 H new ATOM 0 HB3 LYS A 75 10.695 -3.172 4.515 1.00 0.00 H new ATOM 0 HG2 LYS A 75 8.045 -2.092 3.914 1.00 0.00 H new ATOM 0 HG3 LYS A 75 8.110 -2.771 5.528 1.00 0.00 H new ATOM 0 HD2 LYS A 75 10.451 -1.433 5.578 1.00 0.00 H new ATOM 0 HD3 LYS A 75 9.633 -0.460 4.372 1.00 0.00 H new ATOM 0 HE2 LYS A 75 7.774 -0.021 5.900 1.00 0.00 H new ATOM 0 HE3 LYS A 75 8.427 -1.137 7.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 8.943 1.146 7.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 10.374 0.295 7.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 9.741 1.377 6.173 1.00 0.00 H new ATOM 1150 N TYR A 76 10.414 -1.439 2.171 1.00 0.00 N ATOM 1151 CA TYR A 76 10.359 -0.124 1.543 1.00 0.00 C ATOM 1152 C TYR A 76 10.039 -0.244 0.056 1.00 0.00 C ATOM 1153 O TYR A 76 9.196 0.482 -0.471 1.00 0.00 O ATOM 1154 CB TYR A 76 11.687 0.611 1.733 1.00 0.00 C ATOM 1155 CG TYR A 76 12.777 0.144 0.796 1.00 0.00 C ATOM 1156 CD1 TYR A 76 13.620 -0.904 1.146 1.00 0.00 C ATOM 1157 CD2 TYR A 76 12.964 0.749 -0.441 1.00 0.00 C ATOM 1158 CE1 TYR A 76 14.618 -1.334 0.293 1.00 0.00 C ATOM 1159 CE2 TYR A 76 13.959 0.325 -1.301 1.00 0.00 C ATOM 1160 CZ TYR A 76 14.783 -0.716 -0.929 1.00 0.00 C ATOM 1161 OH TYR A 76 15.775 -1.142 -1.783 1.00 0.00 O ATOM 0 H TYR A 76 11.247 -1.602 2.737 1.00 0.00 H new ATOM 0 HA TYR A 76 9.564 0.447 2.022 1.00 0.00 H new ATOM 0 HB2 TYR A 76 11.526 1.679 1.586 1.00 0.00 H new ATOM 0 HB3 TYR A 76 12.022 0.478 2.762 1.00 0.00 H new ATOM 0 HD1 TYR A 76 13.493 -1.391 2.102 1.00 0.00 H new ATOM 0 HD2 TYR A 76 12.320 1.565 -0.735 1.00 0.00 H new ATOM 0 HE1 TYR A 76 15.265 -2.149 0.581 1.00 0.00 H new ATOM 0 HE2 TYR A 76 14.090 0.806 -2.259 1.00 0.00 H new ATOM 0 HH TYR A 76 15.756 -0.603 -2.601 1.00 0.00 H new ATOM 1171 N LYS A 77 10.719 -1.166 -0.616 1.00 0.00 N ATOM 1172 CA LYS A 77 10.509 -1.385 -2.042 1.00 0.00 C ATOM 1173 C LYS A 77 9.022 -1.516 -2.359 1.00 0.00 C ATOM 1174 O LYS A 77 8.520 -0.897 -3.298 1.00 0.00 O ATOM 1175 CB LYS A 77 11.252 -2.642 -2.502 1.00 0.00 C ATOM 1176 CG LYS A 77 12.670 -2.372 -2.972 1.00 0.00 C ATOM 1177 CD LYS A 77 12.884 -2.844 -4.400 1.00 0.00 C ATOM 1178 CE LYS A 77 14.257 -2.446 -4.919 1.00 0.00 C ATOM 1179 NZ LYS A 77 14.193 -1.920 -6.311 1.00 0.00 N ATOM 0 H LYS A 77 11.421 -1.775 -0.195 1.00 0.00 H new ATOM 0 HA LYS A 77 10.903 -0.522 -2.578 1.00 0.00 H new ATOM 0 HB2 LYS A 77 11.281 -3.358 -1.681 1.00 0.00 H new ATOM 0 HB3 LYS A 77 10.692 -3.109 -3.312 1.00 0.00 H new ATOM 0 HG2 LYS A 77 12.879 -1.304 -2.906 1.00 0.00 H new ATOM 0 HG3 LYS A 77 13.375 -2.877 -2.312 1.00 0.00 H new ATOM 0 HD2 LYS A 77 12.777 -3.928 -4.446 1.00 0.00 H new ATOM 0 HD3 LYS A 77 12.114 -2.420 -5.044 1.00 0.00 H new ATOM 0 HE2 LYS A 77 14.687 -1.688 -4.264 1.00 0.00 H new ATOM 0 HE3 LYS A 77 14.922 -3.309 -4.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 15.149 -1.660 -6.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 13.806 -2.651 -6.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 13.579 -1.081 -6.337 1.00 0.00 H new ATOM 1193 N LEU A 78 8.323 -2.324 -1.569 1.00 0.00 N ATOM 1194 CA LEU A 78 6.893 -2.535 -1.765 1.00 0.00 C ATOM 1195 C LEU A 78 6.113 -1.249 -1.509 1.00 0.00 C ATOM 1196 O LEU A 78 5.466 -0.713 -2.409 1.00 0.00 O ATOM 1197 CB LEU A 78 6.389 -3.643 -0.838 1.00 0.00 C ATOM 1198 CG LEU A 78 4.930 -4.061 -1.023 1.00 0.00 C ATOM 1199 CD1 LEU A 78 4.478 -3.804 -2.452 1.00 0.00 C ATOM 1200 CD2 LEU A 78 4.745 -5.527 -0.659 1.00 0.00 C ATOM 0 H LEU A 78 8.723 -2.843 -0.787 1.00 0.00 H new ATOM 0 HA LEU A 78 6.734 -2.835 -2.801 1.00 0.00 H new ATOM 0 HB2 LEU A 78 7.018 -4.522 -0.979 1.00 0.00 H new ATOM 0 HB3 LEU A 78 6.524 -3.316 0.193 1.00 0.00 H new ATOM 0 HG LEU A 78 4.313 -3.460 -0.355 1.00 0.00 H new ATOM 0 HD11 LEU A 78 3.437 -4.108 -2.565 1.00 0.00 H new ATOM 0 HD12 LEU A 78 4.573 -2.742 -2.678 1.00 0.00 H new ATOM 0 HD13 LEU A 78 5.100 -4.378 -3.139 1.00 0.00 H new ATOM 0 HD21 LEU A 78 3.701 -5.807 -0.797 1.00 0.00 H new ATOM 0 HD22 LEU A 78 5.374 -6.144 -1.301 1.00 0.00 H new ATOM 0 HD23 LEU A 78 5.028 -5.682 0.382 1.00 0.00 H new ATOM 1212 N VAL A 79 6.180 -0.758 -0.275 1.00 0.00 N ATOM 1213 CA VAL A 79 5.483 0.467 0.099 1.00 0.00 C ATOM 1214 C VAL A 79 5.761 1.585 -0.900 1.00 0.00 C ATOM 1215 O VAL A 79 4.944 2.486 -1.082 1.00 0.00 O ATOM 1216 CB VAL A 79 5.892 0.938 1.507 1.00 0.00 C ATOM 1217 CG1 VAL A 79 5.604 2.422 1.678 1.00 0.00 C ATOM 1218 CG2 VAL A 79 5.175 0.121 2.571 1.00 0.00 C ATOM 0 H VAL A 79 6.710 -1.190 0.482 1.00 0.00 H new ATOM 0 HA VAL A 79 4.417 0.238 0.096 1.00 0.00 H new ATOM 0 HB VAL A 79 6.965 0.785 1.626 1.00 0.00 H new ATOM 0 HG11 VAL A 79 5.899 2.737 2.679 1.00 0.00 H new ATOM 0 HG12 VAL A 79 6.168 2.990 0.938 1.00 0.00 H new ATOM 0 HG13 VAL A 79 4.538 2.604 1.540 1.00 0.00 H new ATOM 0 HG21 VAL A 79 5.476 0.467 3.560 1.00 0.00 H new ATOM 0 HG22 VAL A 79 4.098 0.241 2.457 1.00 0.00 H new ATOM 0 HG23 VAL A 79 5.437 -0.931 2.460 1.00 0.00 H new ATOM 1228 N ASN A 80 6.921 1.518 -1.546 1.00 0.00 N ATOM 1229 CA ASN A 80 7.308 2.525 -2.528 1.00 0.00 C ATOM 1230 C ASN A 80 6.402 2.466 -3.754 1.00 0.00 C ATOM 1231 O ASN A 80 5.829 3.475 -4.166 1.00 0.00 O ATOM 1232 CB ASN A 80 8.766 2.325 -2.947 1.00 0.00 C ATOM 1233 CG ASN A 80 9.029 2.795 -4.364 1.00 0.00 C ATOM 1234 OD1 ASN A 80 8.787 3.954 -4.701 1.00 0.00 O ATOM 1235 ND2 ASN A 80 9.528 1.894 -5.203 1.00 0.00 N ATOM 0 H ASN A 80 7.609 0.778 -1.407 1.00 0.00 H new ATOM 0 HA ASN A 80 7.201 3.507 -2.066 1.00 0.00 H new ATOM 0 HB2 ASN A 80 9.416 2.867 -2.261 1.00 0.00 H new ATOM 0 HB3 ASN A 80 9.024 1.269 -2.863 1.00 0.00 H new ATOM 0 HD21 ASN A 80 9.726 2.152 -6.170 1.00 0.00 H new ATOM 0 HD22 ASN A 80 9.713 0.944 -4.880 1.00 0.00 H new ATOM 1242 N HIS A 81 6.276 1.276 -4.333 1.00 0.00 N ATOM 1243 CA HIS A 81 5.439 1.084 -5.512 1.00 0.00 C ATOM 1244 C HIS A 81 3.961 1.209 -5.155 1.00 0.00 C ATOM 1245 O HIS A 81 3.142 1.598 -5.988 1.00 0.00 O ATOM 1246 CB HIS A 81 5.711 -0.284 -6.139 1.00 0.00 C ATOM 1247 CG HIS A 81 4.639 -0.732 -7.085 1.00 0.00 C ATOM 1248 ND1 HIS A 81 4.333 -0.059 -8.249 1.00 0.00 N ATOM 1249 CD2 HIS A 81 3.801 -1.794 -7.035 1.00 0.00 C ATOM 1250 CE1 HIS A 81 3.353 -0.687 -8.873 1.00 0.00 C ATOM 1251 NE2 HIS A 81 3.012 -1.743 -8.157 1.00 0.00 N ATOM 0 H HIS A 81 6.743 0.430 -4.005 1.00 0.00 H new ATOM 0 HA HIS A 81 5.687 1.862 -6.234 1.00 0.00 H new ATOM 0 HB2 HIS A 81 6.662 -0.249 -6.671 1.00 0.00 H new ATOM 0 HB3 HIS A 81 5.817 -1.024 -5.346 1.00 0.00 H new ATOM 0 HD1 HIS A 81 4.792 0.791 -8.577 1.00 0.00 H new ATOM 0 HD2 HIS A 81 3.761 -2.542 -6.257 1.00 0.00 H new ATOM 0 HE1 HIS A 81 2.906 -0.388 -9.810 1.00 0.00 H new ATOM 1259 N ILE A 82 3.628 0.876 -3.913 1.00 0.00 N ATOM 1260 CA ILE A 82 2.249 0.951 -3.446 1.00 0.00 C ATOM 1261 C ILE A 82 1.699 2.367 -3.583 1.00 0.00 C ATOM 1262 O ILE A 82 0.539 2.561 -3.947 1.00 0.00 O ATOM 1263 CB ILE A 82 2.126 0.505 -1.978 1.00 0.00 C ATOM 1264 CG1 ILE A 82 2.308 -1.010 -1.865 1.00 0.00 C ATOM 1265 CG2 ILE A 82 0.780 0.926 -1.407 1.00 0.00 C ATOM 1266 CD1 ILE A 82 2.513 -1.491 -0.446 1.00 0.00 C ATOM 0 H ILE A 82 4.294 0.552 -3.212 1.00 0.00 H new ATOM 0 HA ILE A 82 1.667 0.275 -4.072 1.00 0.00 H new ATOM 0 HB ILE A 82 2.912 0.991 -1.400 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.432 -1.505 -2.285 1.00 0.00 H new ATOM 0 HG13 ILE A 82 3.164 -1.311 -2.469 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.708 0.603 -0.368 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.687 2.011 -1.457 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -0.021 0.466 -1.986 1.00 0.00 H new ATOM 0 HD11 ILE A 82 2.635 -2.574 -0.443 1.00 0.00 H new ATOM 0 HD12 ILE A 82 3.405 -1.024 -0.029 1.00 0.00 H new ATOM 0 HD13 ILE A 82 1.647 -1.222 0.158 1.00 0.00 H new ATOM 1278 N ARG A 83 2.540 3.353 -3.291 1.00 0.00 N ATOM 1279 CA ARG A 83 2.139 4.752 -3.382 1.00 0.00 C ATOM 1280 C ARG A 83 1.479 5.042 -4.727 1.00 0.00 C ATOM 1281 O ARG A 83 0.417 5.662 -4.789 1.00 0.00 O ATOM 1282 CB ARG A 83 3.350 5.666 -3.188 1.00 0.00 C ATOM 1283 CG ARG A 83 4.227 5.274 -2.010 1.00 0.00 C ATOM 1284 CD ARG A 83 5.254 6.350 -1.697 1.00 0.00 C ATOM 1285 NE ARG A 83 4.757 7.312 -0.717 1.00 0.00 N ATOM 1286 CZ ARG A 83 4.557 7.020 0.563 1.00 0.00 C ATOM 1287 NH1 ARG A 83 4.809 5.799 1.015 1.00 0.00 N ATOM 1288 NH2 ARG A 83 4.103 7.950 1.394 1.00 0.00 N ATOM 0 H ARG A 83 3.504 3.209 -2.989 1.00 0.00 H new ATOM 0 HA ARG A 83 1.415 4.948 -2.592 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.951 5.656 -4.097 1.00 0.00 H new ATOM 0 HB3 ARG A 83 3.003 6.690 -3.047 1.00 0.00 H new ATOM 0 HG2 ARG A 83 3.603 5.099 -1.133 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.737 4.336 -2.231 1.00 0.00 H new ATOM 0 HD2 ARG A 83 6.164 5.884 -1.318 1.00 0.00 H new ATOM 0 HD3 ARG A 83 5.522 6.873 -2.615 1.00 0.00 H new ATOM 0 HE ARG A 83 4.552 8.260 -1.033 1.00 0.00 H new ATOM 0 HH11 ARG A 83 5.157 5.082 0.379 1.00 0.00 H new ATOM 0 HH12 ARG A 83 4.655 5.577 1.999 1.00 0.00 H new ATOM 0 HH21 ARG A 83 3.907 8.890 1.050 1.00 0.00 H new ATOM 0 HH22 ARG A 83 3.950 7.725 2.377 1.00 0.00 H new ATOM 1302 N VAL A 84 2.116 4.590 -5.803 1.00 0.00 N ATOM 1303 CA VAL A 84 1.592 4.800 -7.147 1.00 0.00 C ATOM 1304 C VAL A 84 0.117 4.423 -7.226 1.00 0.00 C ATOM 1305 O VAL A 84 -0.626 4.949 -8.056 1.00 0.00 O ATOM 1306 CB VAL A 84 2.377 3.982 -8.190 1.00 0.00 C ATOM 1307 CG1 VAL A 84 1.846 2.558 -8.260 1.00 0.00 C ATOM 1308 CG2 VAL A 84 2.309 4.653 -9.553 1.00 0.00 C ATOM 0 H VAL A 84 2.996 4.076 -5.770 1.00 0.00 H new ATOM 0 HA VAL A 84 1.705 5.861 -7.369 1.00 0.00 H new ATOM 0 HB VAL A 84 3.422 3.940 -7.883 1.00 0.00 H new ATOM 0 HG11 VAL A 84 2.412 1.995 -9.002 1.00 0.00 H new ATOM 0 HG12 VAL A 84 1.951 2.082 -7.285 1.00 0.00 H new ATOM 0 HG13 VAL A 84 0.794 2.576 -8.543 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.869 4.062 -10.278 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.269 4.727 -9.871 1.00 0.00 H new ATOM 0 HG23 VAL A 84 2.740 5.652 -9.489 1.00 0.00 H new ATOM 1318 N HIS A 85 -0.302 3.508 -6.357 1.00 0.00 N ATOM 1319 CA HIS A 85 -1.690 3.061 -6.328 1.00 0.00 C ATOM 1320 C HIS A 85 -2.514 3.910 -5.366 1.00 0.00 C ATOM 1321 O HIS A 85 -3.540 4.478 -5.744 1.00 0.00 O ATOM 1322 CB HIS A 85 -1.765 1.589 -5.920 1.00 0.00 C ATOM 1323 CG HIS A 85 -1.018 0.673 -6.841 1.00 0.00 C ATOM 1324 ND1 HIS A 85 -0.713 1.003 -8.145 1.00 0.00 N ATOM 1325 CD2 HIS A 85 -0.514 -0.566 -6.639 1.00 0.00 C ATOM 1326 CE1 HIS A 85 -0.054 0.004 -8.706 1.00 0.00 C ATOM 1327 NE2 HIS A 85 0.080 -0.960 -7.813 1.00 0.00 N ATOM 0 H HIS A 85 0.299 3.062 -5.664 1.00 0.00 H new ATOM 0 HA HIS A 85 -2.104 3.174 -7.330 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -1.368 1.479 -4.911 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -2.811 1.283 -5.886 1.00 0.00 H new ATOM 0 HD1 HIS A 85 -0.958 1.880 -8.604 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -0.569 -1.139 -5.725 1.00 0.00 H new ATOM 0 HE1 HIS A 85 0.313 -0.020 -9.722 1.00 0.00 H new ATOM 1335 N THR A 86 -2.061 3.992 -4.119 1.00 0.00 N ATOM 1336 CA THR A 86 -2.757 4.770 -3.102 1.00 0.00 C ATOM 1337 C THR A 86 -3.242 6.102 -3.664 1.00 0.00 C ATOM 1338 O THR A 86 -4.267 6.630 -3.237 1.00 0.00 O ATOM 1339 CB THR A 86 -1.853 5.039 -1.883 1.00 0.00 C ATOM 1340 OG1 THR A 86 -0.683 5.757 -2.290 1.00 0.00 O ATOM 1341 CG2 THR A 86 -1.447 3.735 -1.213 1.00 0.00 C ATOM 0 H THR A 86 -1.214 3.529 -3.789 1.00 0.00 H new ATOM 0 HA THR A 86 -3.616 4.178 -2.785 1.00 0.00 H new ATOM 0 HB THR A 86 -2.415 5.638 -1.166 1.00 0.00 H new ATOM 0 HG1 THR A 86 -0.524 5.609 -3.246 1.00 0.00 H new ATOM 0 HG21 THR A 86 -0.809 3.950 -0.355 1.00 0.00 H new ATOM 0 HG22 THR A 86 -2.339 3.205 -0.879 1.00 0.00 H new ATOM 0 HG23 THR A 86 -0.902 3.115 -1.924 1.00 0.00 H new ATOM 1349 N GLY A 87 -2.497 6.639 -4.626 1.00 0.00 N ATOM 1350 CA GLY A 87 -2.868 7.904 -5.231 1.00 0.00 C ATOM 1351 C GLY A 87 -1.992 9.050 -4.764 1.00 0.00 C ATOM 1352 O GLY A 87 -1.975 10.116 -5.377 1.00 0.00 O ATOM 0 H GLY A 87 -1.644 6.220 -4.996 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -2.801 7.818 -6.316 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -3.908 8.126 -4.993 1.00 0.00 H new ATOM 1356 N GLU A 88 -1.264 8.829 -3.673 1.00 0.00 N ATOM 1357 CA GLU A 88 -0.384 9.853 -3.123 1.00 0.00 C ATOM 1358 C GLU A 88 0.798 10.112 -4.054 1.00 0.00 C ATOM 1359 O GLU A 88 0.694 9.946 -5.269 1.00 0.00 O ATOM 1360 CB GLU A 88 0.123 9.433 -1.742 1.00 0.00 C ATOM 1361 CG GLU A 88 0.355 10.601 -0.798 1.00 0.00 C ATOM 1362 CD GLU A 88 1.743 10.591 -0.187 1.00 0.00 C ATOM 1363 OE1 GLU A 88 2.153 9.535 0.337 1.00 0.00 O ATOM 1364 OE2 GLU A 88 2.418 11.641 -0.234 1.00 0.00 O ATOM 0 H GLU A 88 -1.267 7.951 -3.154 1.00 0.00 H new ATOM 0 HA GLU A 88 -0.957 10.775 -3.027 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -0.598 8.750 -1.292 1.00 0.00 H new ATOM 0 HB3 GLU A 88 1.055 8.881 -1.859 1.00 0.00 H new ATOM 0 HG2 GLU A 88 0.207 11.536 -1.339 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -0.389 10.573 -0.002 1.00 0.00 H new ATOM 1371 N LYS A 89 1.921 10.521 -3.474 1.00 0.00 N ATOM 1372 CA LYS A 89 3.124 10.803 -4.248 1.00 0.00 C ATOM 1373 C LYS A 89 2.877 11.930 -5.246 1.00 0.00 C ATOM 1374 O LYS A 89 1.737 12.199 -5.623 1.00 0.00 O ATOM 1375 CB LYS A 89 3.585 9.545 -4.988 1.00 0.00 C ATOM 1376 CG LYS A 89 5.086 9.317 -4.923 1.00 0.00 C ATOM 1377 CD LYS A 89 5.579 8.508 -6.111 1.00 0.00 C ATOM 1378 CE LYS A 89 6.990 8.908 -6.511 1.00 0.00 C ATOM 1379 NZ LYS A 89 6.992 10.022 -7.499 1.00 0.00 N ATOM 0 H LYS A 89 2.023 10.665 -2.469 1.00 0.00 H new ATOM 0 HA LYS A 89 3.905 11.118 -3.557 1.00 0.00 H new ATOM 0 HB2 LYS A 89 3.076 8.678 -4.566 1.00 0.00 H new ATOM 0 HB3 LYS A 89 3.282 9.616 -6.032 1.00 0.00 H new ATOM 0 HG2 LYS A 89 5.600 10.278 -4.897 1.00 0.00 H new ATOM 0 HG3 LYS A 89 5.336 8.797 -3.998 1.00 0.00 H new ATOM 0 HD2 LYS A 89 5.557 7.447 -5.864 1.00 0.00 H new ATOM 0 HD3 LYS A 89 4.905 8.653 -6.956 1.00 0.00 H new ATOM 0 HE2 LYS A 89 7.547 9.208 -5.624 1.00 0.00 H new ATOM 0 HE3 LYS A 89 7.505 8.046 -6.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 7.737 10.705 -7.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 7.173 9.642 -8.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 6.068 10.498 -7.487 1.00 0.00 H new ATOM 1393 N SER A 90 3.953 12.585 -5.670 1.00 0.00 N ATOM 1394 CA SER A 90 3.852 13.685 -6.622 1.00 0.00 C ATOM 1395 C SER A 90 4.306 13.245 -8.010 1.00 0.00 C ATOM 1396 O SER A 90 4.702 12.098 -8.212 1.00 0.00 O ATOM 1397 CB SER A 90 4.693 14.874 -6.151 1.00 0.00 C ATOM 1398 OG SER A 90 6.068 14.666 -6.423 1.00 0.00 O ATOM 0 H SER A 90 4.904 12.373 -5.369 1.00 0.00 H new ATOM 0 HA SER A 90 2.807 13.988 -6.680 1.00 0.00 H new ATOM 0 HB2 SER A 90 4.354 15.783 -6.648 1.00 0.00 H new ATOM 0 HB3 SER A 90 4.549 15.024 -5.081 1.00 0.00 H new ATOM 0 HG SER A 90 6.583 15.440 -6.114 1.00 0.00 H new ATOM 1404 N GLY A 91 4.246 14.168 -8.966 1.00 0.00 N ATOM 1405 CA GLY A 91 4.654 13.857 -10.324 1.00 0.00 C ATOM 1406 C GLY A 91 6.110 13.445 -10.412 1.00 0.00 C ATOM 1407 O GLY A 91 6.898 13.671 -9.494 1.00 0.00 O ATOM 0 H GLY A 91 3.922 15.125 -8.824 1.00 0.00 H new ATOM 0 HA2 GLY A 91 4.028 13.054 -10.713 1.00 0.00 H new ATOM 0 HA3 GLY A 91 4.487 14.727 -10.959 1.00 0.00 H new ATOM 1411 N PRO A 92 6.485 12.824 -11.540 1.00 0.00 N ATOM 1412 CA PRO A 92 7.858 12.365 -11.771 1.00 0.00 C ATOM 1413 C PRO A 92 8.831 13.523 -11.969 1.00 0.00 C ATOM 1414 O PRO A 92 8.461 14.574 -12.493 1.00 0.00 O ATOM 1415 CB PRO A 92 7.744 11.537 -13.054 1.00 0.00 C ATOM 1416 CG PRO A 92 6.552 12.089 -13.756 1.00 0.00 C ATOM 1417 CD PRO A 92 5.599 12.522 -12.676 1.00 0.00 C ATOM 0 HA PRO A 92 8.250 11.807 -10.921 1.00 0.00 H new ATOM 0 HB2 PRO A 92 8.642 11.629 -13.666 1.00 0.00 H new ATOM 0 HB3 PRO A 92 7.617 10.478 -12.832 1.00 0.00 H new ATOM 0 HG2 PRO A 92 6.828 12.930 -14.392 1.00 0.00 H new ATOM 0 HG3 PRO A 92 6.096 11.338 -14.401 1.00 0.00 H new ATOM 0 HD2 PRO A 92 5.020 13.395 -12.977 1.00 0.00 H new ATOM 0 HD3 PRO A 92 4.885 11.735 -12.431 1.00 0.00 H new ATOM 1425 N SER A 93 10.076 13.323 -11.547 1.00 0.00 N ATOM 1426 CA SER A 93 11.101 14.352 -11.675 1.00 0.00 C ATOM 1427 C SER A 93 12.013 14.065 -12.864 1.00 0.00 C ATOM 1428 O SER A 93 11.817 13.090 -13.590 1.00 0.00 O ATOM 1429 CB SER A 93 11.928 14.439 -10.392 1.00 0.00 C ATOM 1430 OG SER A 93 12.022 15.778 -9.936 1.00 0.00 O ATOM 0 H SER A 93 10.399 12.458 -11.114 1.00 0.00 H new ATOM 0 HA SER A 93 10.604 15.307 -11.844 1.00 0.00 H new ATOM 0 HB2 SER A 93 11.473 13.819 -9.619 1.00 0.00 H new ATOM 0 HB3 SER A 93 12.927 14.042 -10.572 1.00 0.00 H new ATOM 0 HG SER A 93 12.554 15.807 -9.114 1.00 0.00 H new ATOM 1436 N SER A 94 13.011 14.921 -13.056 1.00 0.00 N ATOM 1437 CA SER A 94 13.953 14.763 -14.158 1.00 0.00 C ATOM 1438 C SER A 94 15.241 14.098 -13.682 1.00 0.00 C ATOM 1439 O SER A 94 15.593 14.173 -12.505 1.00 0.00 O ATOM 1440 CB SER A 94 14.270 16.122 -14.785 1.00 0.00 C ATOM 1441 OG SER A 94 14.440 17.116 -13.789 1.00 0.00 O ATOM 0 H SER A 94 13.188 15.731 -12.463 1.00 0.00 H new ATOM 0 HA SER A 94 13.490 14.123 -14.909 1.00 0.00 H new ATOM 0 HB2 SER A 94 15.176 16.046 -15.386 1.00 0.00 H new ATOM 0 HB3 SER A 94 13.464 16.412 -15.459 1.00 0.00 H new ATOM 0 HG SER A 94 14.643 17.975 -14.215 1.00 0.00 H new ATOM 1447 N GLY A 95 15.939 13.445 -14.606 1.00 0.00 N ATOM 1448 CA GLY A 95 17.180 12.776 -14.262 1.00 0.00 C ATOM 1449 C GLY A 95 16.950 11.474 -13.520 1.00 0.00 C ATOM 1450 O GLY A 95 17.036 10.412 -14.134 1.00 0.00 O ATOM 0 H GLY A 95 15.667 13.367 -15.586 1.00 0.00 H new ATOM 0 HA2 GLY A 95 17.746 12.577 -15.172 1.00 0.00 H new ATOM 0 HA3 GLY A 95 17.788 13.439 -13.647 1.00 0.00 H new TER 1454 GLY A 95 HETATM 1455 ZN ZN A 201 -6.138 -2.747 3.477 1.00 0.00 ZN HETATM 1456 ZN ZN A 401 1.353 -2.591 -7.595 1.00 0.00 ZN