USER MOD reduce.3.24.130724 H: found=0, std=0, add=840, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 837 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 83 HIS : no HD1:sc= 0.742 K(o=2,f=-6.5!) USER MOD Set 1.2: A 85 TYR OH : rot -27:sc= 1.31 USER MOD Single : A 1 GLY N :NH3+ -134:sc= 0.878 (180deg=-0.682) USER MOD Single : A 3 SER OG : rot -160:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0.543 USER MOD Single : A 10 LYS NZ :NH3+ -170:sc=-0.00526 (180deg=-0.107) USER MOD Single : A 16 GLN : amide:sc= 0.324 X(o=0.32,f=-0.16) USER MOD Single : A 19 LYS NZ :NH3+ 167:sc= -0.173 (180deg=-0.472) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 HIS : no HD1:sc= 0.85 K(o=0.85,f=-4.9!) USER MOD Single : A 25 LYS NZ :NH3+ -179:sc= 0.801 (180deg=0.8) USER MOD Single : A 32 THR OG1 : rot 87:sc= 1.24 USER MOD Single : A 34 THR OG1 : rot -79:sc= 1.02 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 MET CE :methyl 170:sc=-0.00218 (180deg=-0.137) USER MOD Single : A 48 THR OG1 : rot 72:sc= 1.15 USER MOD Single : A 50 SER OG : rot 50:sc= 1.15 USER MOD Single : A 51 ASN : amide:sc= 1.12 K(o=1.1,f=0) USER MOD Single : A 53 TYR OH : rot 30:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -173:sc= 1.31 (180deg=1.28) USER MOD Single : A 61 LYS NZ :NH3+ -172:sc=-0.00299 (180deg=-0.113) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.315 USER MOD Single : A 79 MET CE :methyl -173:sc= -0.0166 (180deg=-0.0833) USER MOD Single : A 81 THR OG1 : rot -9:sc= 0.661 USER MOD Single : A 86 LYS NZ :NH3+ 179:sc= 1.19 (180deg=1.17) USER MOD Single : A 90 LYS NZ :NH3+ 175:sc= 0.949 (180deg=0.867) USER MOD Single : A 98 SER OG : rot 122:sc= 1.07 USER MOD Single : A 99 GLN : amide:sc= 0.22 K(o=0.22,f=-3.2!) USER MOD Single : A 101 LYS NZ :NH3+ -167:sc= -0.0153 (180deg=-0.185) USER MOD Single : A 103 LYS NZ :NH3+ 178:sc= -0.157 (180deg=-0.231) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 HIS : no HD1:sc= 0.142 K(o=0.14,f=-5!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.434 -13.011 1.456 1.00 0.00 N ATOM 2 CA GLY A 1 -0.550 -13.110 2.916 1.00 0.00 C ATOM 3 C GLY A 1 -1.253 -11.854 3.412 1.00 0.00 C ATOM 4 O GLY A 1 -1.415 -10.942 2.601 1.00 0.00 O ATOM 0 H1 GLY A 1 -0.718 -13.913 1.023 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.053 -12.251 1.109 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.551 -12.799 1.200 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.115 -14.000 3.195 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.436 -13.202 3.372 1.00 0.00 H new ATOM 10 N GLY A 2 -1.624 -11.759 4.693 1.00 0.00 N ATOM 11 CA GLY A 2 -2.268 -10.567 5.247 1.00 0.00 C ATOM 12 C GLY A 2 -1.253 -9.442 5.475 1.00 0.00 C ATOM 13 O GLY A 2 -1.181 -8.847 6.549 1.00 0.00 O ATOM 0 H GLY A 2 -1.486 -12.506 5.373 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -3.048 -10.224 4.568 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -2.754 -10.818 6.190 1.00 0.00 H new ATOM 17 N SER A 3 -0.461 -9.144 4.448 1.00 0.00 N ATOM 18 CA SER A 3 0.589 -8.152 4.455 1.00 0.00 C ATOM 19 C SER A 3 -0.030 -6.765 4.320 1.00 0.00 C ATOM 20 O SER A 3 -0.014 -6.173 3.241 1.00 0.00 O ATOM 21 CB SER A 3 1.522 -8.480 3.292 1.00 0.00 C ATOM 22 OG SER A 3 1.906 -9.844 3.348 1.00 0.00 O ATOM 0 H SER A 3 -0.546 -9.616 3.548 1.00 0.00 H new ATOM 0 HA SER A 3 1.157 -8.161 5.385 1.00 0.00 H new ATOM 0 HB2 SER A 3 1.023 -8.273 2.345 1.00 0.00 H new ATOM 0 HB3 SER A 3 2.406 -7.843 3.333 1.00 0.00 H new ATOM 0 HG SER A 3 2.722 -9.976 2.821 1.00 0.00 H new ATOM 28 N VAL A 4 -0.612 -6.286 5.417 1.00 0.00 N ATOM 29 CA VAL A 4 -1.259 -4.991 5.523 1.00 0.00 C ATOM 30 C VAL A 4 -0.361 -4.060 6.326 1.00 0.00 C ATOM 31 O VAL A 4 -0.340 -4.171 7.550 1.00 0.00 O ATOM 32 CB VAL A 4 -2.625 -5.184 6.212 1.00 0.00 C ATOM 33 CG1 VAL A 4 -3.283 -3.834 6.530 1.00 0.00 C ATOM 34 CG2 VAL A 4 -3.539 -6.070 5.355 1.00 0.00 C ATOM 0 H VAL A 4 -0.644 -6.815 6.289 1.00 0.00 H new ATOM 0 HA VAL A 4 -1.422 -4.548 4.540 1.00 0.00 H new ATOM 0 HB VAL A 4 -2.460 -5.692 7.162 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -4.244 -4.003 7.015 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -2.636 -3.262 7.195 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -3.436 -3.277 5.606 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -4.499 -6.195 5.857 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -3.696 -5.600 4.384 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -3.073 -7.045 5.214 1.00 0.00 H new ATOM 44 N ILE A 5 0.378 -3.153 5.672 1.00 0.00 N ATOM 45 CA ILE A 5 1.227 -2.225 6.410 1.00 0.00 C ATOM 46 C ILE A 5 1.297 -0.863 5.719 1.00 0.00 C ATOM 47 O ILE A 5 1.614 -0.732 4.537 1.00 0.00 O ATOM 48 CB ILE A 5 2.642 -2.791 6.633 1.00 0.00 C ATOM 49 CG1 ILE A 5 3.238 -3.314 5.320 1.00 0.00 C ATOM 50 CG2 ILE A 5 2.633 -3.906 7.687 1.00 0.00 C ATOM 51 CD1 ILE A 5 4.681 -3.791 5.497 1.00 0.00 C ATOM 0 H ILE A 5 0.402 -3.047 4.658 1.00 0.00 H new ATOM 0 HA ILE A 5 0.767 -2.089 7.389 1.00 0.00 H new ATOM 0 HB ILE A 5 3.266 -1.976 6.999 1.00 0.00 H new ATOM 0 HG12 ILE A 5 2.627 -4.136 4.946 1.00 0.00 H new ATOM 0 HG13 ILE A 5 3.206 -2.526 4.568 1.00 0.00 H new ATOM 0 HG21 ILE A 5 3.645 -4.286 7.823 1.00 0.00 H new ATOM 0 HG22 ILE A 5 2.264 -3.510 8.633 1.00 0.00 H new ATOM 0 HG23 ILE A 5 1.983 -4.716 7.355 1.00 0.00 H new ATOM 0 HD11 ILE A 5 5.064 -4.153 4.543 1.00 0.00 H new ATOM 0 HD12 ILE A 5 5.298 -2.963 5.845 1.00 0.00 H new ATOM 0 HD13 ILE A 5 4.710 -4.598 6.229 1.00 0.00 H new ATOM 63 N VAL A 6 1.049 0.174 6.513 1.00 0.00 N ATOM 64 CA VAL A 6 1.137 1.574 6.128 1.00 0.00 C ATOM 65 C VAL A 6 2.617 1.956 6.289 1.00 0.00 C ATOM 66 O VAL A 6 2.970 2.837 7.069 1.00 0.00 O ATOM 67 CB VAL A 6 0.177 2.400 7.012 1.00 0.00 C ATOM 68 CG1 VAL A 6 0.075 3.863 6.561 1.00 0.00 C ATOM 69 CG2 VAL A 6 -1.243 1.811 6.982 1.00 0.00 C ATOM 0 H VAL A 6 0.769 0.053 7.486 1.00 0.00 H new ATOM 0 HA VAL A 6 0.831 1.769 5.100 1.00 0.00 H new ATOM 0 HB VAL A 6 0.595 2.360 8.018 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -0.612 4.399 7.216 1.00 0.00 H new ATOM 0 HG12 VAL A 6 1.060 4.328 6.610 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -0.295 3.903 5.536 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -1.899 2.411 7.612 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -1.618 1.817 5.959 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -1.220 0.787 7.354 1.00 0.00 H new ATOM 79 N ILE A 7 3.489 1.229 5.584 1.00 0.00 N ATOM 80 CA ILE A 7 4.938 1.354 5.693 1.00 0.00 C ATOM 81 C ILE A 7 5.477 2.409 4.720 1.00 0.00 C ATOM 82 O ILE A 7 4.713 3.067 4.015 1.00 0.00 O ATOM 83 CB ILE A 7 5.538 -0.058 5.526 1.00 0.00 C ATOM 84 CG1 ILE A 7 6.959 -0.243 6.083 1.00 0.00 C ATOM 85 CG2 ILE A 7 5.532 -0.498 4.056 1.00 0.00 C ATOM 86 CD1 ILE A 7 7.130 0.147 7.550 1.00 0.00 C ATOM 0 H ILE A 7 3.197 0.523 4.908 1.00 0.00 H new ATOM 0 HA ILE A 7 5.241 1.728 6.671 1.00 0.00 H new ATOM 0 HB ILE A 7 4.881 -0.686 6.128 1.00 0.00 H new ATOM 0 HG12 ILE A 7 7.247 -1.287 5.964 1.00 0.00 H new ATOM 0 HG13 ILE A 7 7.649 0.349 5.482 1.00 0.00 H new ATOM 0 HG21 ILE A 7 5.961 -1.497 3.973 1.00 0.00 H new ATOM 0 HG22 ILE A 7 4.507 -0.511 3.684 1.00 0.00 H new ATOM 0 HG23 ILE A 7 6.123 0.201 3.465 1.00 0.00 H new ATOM 0 HD11 ILE A 7 8.164 -0.018 7.852 1.00 0.00 H new ATOM 0 HD12 ILE A 7 6.878 1.200 7.678 1.00 0.00 H new ATOM 0 HD13 ILE A 7 6.470 -0.462 8.168 1.00 0.00 H new ATOM 98 N ASP A 8 6.798 2.601 4.718 1.00 0.00 N ATOM 99 CA ASP A 8 7.482 3.636 3.957 1.00 0.00 C ATOM 100 C ASP A 8 8.727 3.156 3.202 1.00 0.00 C ATOM 101 O ASP A 8 8.986 3.639 2.101 1.00 0.00 O ATOM 102 CB ASP A 8 7.904 4.728 4.956 1.00 0.00 C ATOM 103 CG ASP A 8 8.977 4.257 5.943 1.00 0.00 C ATOM 104 OD1 ASP A 8 8.870 3.095 6.403 1.00 0.00 O ATOM 105 OD2 ASP A 8 9.907 5.052 6.193 1.00 0.00 O ATOM 0 H ASP A 8 7.435 2.021 5.264 1.00 0.00 H new ATOM 0 HA ASP A 8 6.789 3.990 3.193 1.00 0.00 H new ATOM 0 HB2 ASP A 8 8.279 5.591 4.405 1.00 0.00 H new ATOM 0 HB3 ASP A 8 7.028 5.061 5.512 1.00 0.00 H new ATOM 110 N SER A 9 9.507 2.258 3.812 1.00 0.00 N ATOM 111 CA SER A 9 10.859 1.929 3.382 1.00 0.00 C ATOM 112 C SER A 9 11.004 0.953 2.209 1.00 0.00 C ATOM 113 O SER A 9 10.159 0.098 1.946 1.00 0.00 O ATOM 114 CB SER A 9 11.621 1.383 4.600 1.00 0.00 C ATOM 115 OG SER A 9 11.157 0.090 4.950 1.00 0.00 O ATOM 0 H SER A 9 9.206 1.733 4.633 1.00 0.00 H new ATOM 0 HA SER A 9 11.270 2.860 2.990 1.00 0.00 H new ATOM 0 HB2 SER A 9 12.688 1.343 4.379 1.00 0.00 H new ATOM 0 HB3 SER A 9 11.496 2.060 5.445 1.00 0.00 H new ATOM 0 HG SER A 9 11.657 -0.238 5.726 1.00 0.00 H new ATOM 121 N LYS A 10 12.164 1.066 1.548 1.00 0.00 N ATOM 122 CA LYS A 10 12.618 0.176 0.487 1.00 0.00 C ATOM 123 C LYS A 10 12.738 -1.236 1.047 1.00 0.00 C ATOM 124 O LYS A 10 12.332 -2.216 0.427 1.00 0.00 O ATOM 125 CB LYS A 10 14.002 0.639 0.018 1.00 0.00 C ATOM 126 CG LYS A 10 14.628 -0.224 -1.089 1.00 0.00 C ATOM 127 CD LYS A 10 13.744 -0.291 -2.340 1.00 0.00 C ATOM 128 CE LYS A 10 14.401 -1.087 -3.473 1.00 0.00 C ATOM 129 NZ LYS A 10 15.618 -0.431 -3.983 1.00 0.00 N ATOM 0 H LYS A 10 12.832 1.810 1.750 1.00 0.00 H new ATOM 0 HA LYS A 10 11.913 0.191 -0.344 1.00 0.00 H new ATOM 0 HB2 LYS A 10 13.924 1.665 -0.341 1.00 0.00 H new ATOM 0 HB3 LYS A 10 14.676 0.651 0.875 1.00 0.00 H new ATOM 0 HG2 LYS A 10 15.603 0.183 -1.357 1.00 0.00 H new ATOM 0 HG3 LYS A 10 14.796 -1.232 -0.710 1.00 0.00 H new ATOM 0 HD2 LYS A 10 12.789 -0.749 -2.083 1.00 0.00 H new ATOM 0 HD3 LYS A 10 13.530 0.720 -2.686 1.00 0.00 H new ATOM 0 HE2 LYS A 10 14.652 -2.085 -3.115 1.00 0.00 H new ATOM 0 HE3 LYS A 10 13.688 -1.210 -4.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 15.932 -0.909 -4.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 15.413 0.567 -4.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 16.369 -0.487 -3.266 1.00 0.00 H new ATOM 143 N ALA A 11 13.360 -1.313 2.225 1.00 0.00 N ATOM 144 CA ALA A 11 13.544 -2.553 2.957 1.00 0.00 C ATOM 145 C ALA A 11 12.194 -3.256 3.091 1.00 0.00 C ATOM 146 O ALA A 11 12.070 -4.423 2.729 1.00 0.00 O ATOM 147 CB ALA A 11 14.156 -2.257 4.329 1.00 0.00 C ATOM 0 H ALA A 11 13.753 -0.500 2.698 1.00 0.00 H new ATOM 0 HA ALA A 11 14.228 -3.211 2.420 1.00 0.00 H new ATOM 0 HB1 ALA A 11 14.293 -3.190 4.875 1.00 0.00 H new ATOM 0 HB2 ALA A 11 15.121 -1.768 4.199 1.00 0.00 H new ATOM 0 HB3 ALA A 11 13.490 -1.602 4.891 1.00 0.00 H new ATOM 153 N ALA A 12 11.178 -2.536 3.581 1.00 0.00 N ATOM 154 CA ALA A 12 9.852 -3.104 3.732 1.00 0.00 C ATOM 155 C ALA A 12 9.268 -3.507 2.381 1.00 0.00 C ATOM 156 O ALA A 12 8.724 -4.605 2.274 1.00 0.00 O ATOM 157 CB ALA A 12 8.933 -2.106 4.417 1.00 0.00 C ATOM 0 H ALA A 12 11.258 -1.563 3.876 1.00 0.00 H new ATOM 0 HA ALA A 12 9.936 -4.000 4.347 1.00 0.00 H new ATOM 0 HB1 ALA A 12 7.940 -2.541 4.526 1.00 0.00 H new ATOM 0 HB2 ALA A 12 9.332 -1.861 5.401 1.00 0.00 H new ATOM 0 HB3 ALA A 12 8.868 -1.199 3.816 1.00 0.00 H new ATOM 163 N TRP A 13 9.340 -2.618 1.381 1.00 0.00 N ATOM 164 CA TRP A 13 8.873 -2.892 0.024 1.00 0.00 C ATOM 165 C TRP A 13 9.401 -4.262 -0.412 1.00 0.00 C ATOM 166 O TRP A 13 8.626 -5.176 -0.692 1.00 0.00 O ATOM 167 CB TRP A 13 9.333 -1.747 -0.909 1.00 0.00 C ATOM 168 CG TRP A 13 9.346 -1.975 -2.399 1.00 0.00 C ATOM 169 CD1 TRP A 13 10.262 -2.705 -3.079 1.00 0.00 C ATOM 170 CD2 TRP A 13 8.498 -1.378 -3.430 1.00 0.00 C ATOM 171 NE1 TRP A 13 9.998 -2.675 -4.430 1.00 0.00 N ATOM 172 CE2 TRP A 13 8.927 -1.857 -4.704 1.00 0.00 C ATOM 173 CE3 TRP A 13 7.431 -0.454 -3.428 1.00 0.00 C ATOM 174 CZ2 TRP A 13 8.309 -1.475 -5.902 1.00 0.00 C ATOM 175 CZ3 TRP A 13 6.813 -0.051 -4.627 1.00 0.00 C ATOM 176 CH2 TRP A 13 7.228 -0.584 -5.860 1.00 0.00 C ATOM 0 H TRP A 13 9.728 -1.682 1.497 1.00 0.00 H new ATOM 0 HA TRP A 13 7.785 -2.930 -0.022 1.00 0.00 H new ATOM 0 HB2 TRP A 13 8.692 -0.887 -0.714 1.00 0.00 H new ATOM 0 HB3 TRP A 13 10.343 -1.466 -0.611 1.00 0.00 H new ATOM 0 HD1 TRP A 13 11.085 -3.237 -2.625 1.00 0.00 H new ATOM 0 HE1 TRP A 13 10.526 -3.191 -5.134 1.00 0.00 H new ATOM 0 HE3 TRP A 13 7.082 -0.049 -2.490 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 8.661 -1.862 -6.846 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 6.013 0.674 -4.599 1.00 0.00 H new ATOM 0 HH2 TRP A 13 6.716 -0.308 -6.770 1.00 0.00 H new ATOM 187 N ASP A 14 10.727 -4.407 -0.413 1.00 0.00 N ATOM 188 CA ASP A 14 11.417 -5.612 -0.847 1.00 0.00 C ATOM 189 C ASP A 14 11.012 -6.821 -0.016 1.00 0.00 C ATOM 190 O ASP A 14 10.589 -7.843 -0.551 1.00 0.00 O ATOM 191 CB ASP A 14 12.922 -5.379 -0.732 1.00 0.00 C ATOM 192 CG ASP A 14 13.705 -6.561 -1.287 1.00 0.00 C ATOM 193 OD1 ASP A 14 13.882 -6.588 -2.524 1.00 0.00 O ATOM 194 OD2 ASP A 14 14.108 -7.410 -0.464 1.00 0.00 O ATOM 0 H ASP A 14 11.361 -3.670 -0.104 1.00 0.00 H new ATOM 0 HA ASP A 14 11.142 -5.822 -1.881 1.00 0.00 H new ATOM 0 HB2 ASP A 14 13.195 -4.472 -1.272 1.00 0.00 H new ATOM 0 HB3 ASP A 14 13.190 -5.220 0.313 1.00 0.00 H new ATOM 199 N ALA A 15 11.160 -6.683 1.300 1.00 0.00 N ATOM 200 CA ALA A 15 10.853 -7.739 2.250 1.00 0.00 C ATOM 201 C ALA A 15 9.459 -8.298 1.985 1.00 0.00 C ATOM 202 O ALA A 15 9.311 -9.468 1.629 1.00 0.00 O ATOM 203 CB ALA A 15 10.980 -7.212 3.682 1.00 0.00 C ATOM 0 H ALA A 15 11.500 -5.826 1.736 1.00 0.00 H new ATOM 0 HA ALA A 15 11.568 -8.552 2.126 1.00 0.00 H new ATOM 0 HB1 ALA A 15 10.748 -8.011 4.386 1.00 0.00 H new ATOM 0 HB2 ALA A 15 11.998 -6.863 3.852 1.00 0.00 H new ATOM 0 HB3 ALA A 15 10.284 -6.386 3.829 1.00 0.00 H new ATOM 209 N GLN A 16 8.437 -7.455 2.138 1.00 0.00 N ATOM 210 CA GLN A 16 7.055 -7.869 1.938 1.00 0.00 C ATOM 211 C GLN A 16 6.863 -8.467 0.554 1.00 0.00 C ATOM 212 O GLN A 16 6.282 -9.543 0.455 1.00 0.00 O ATOM 213 CB GLN A 16 6.088 -6.711 2.157 1.00 0.00 C ATOM 214 CG GLN A 16 5.541 -6.732 3.587 1.00 0.00 C ATOM 215 CD GLN A 16 6.565 -6.468 4.690 1.00 0.00 C ATOM 216 OE1 GLN A 16 6.563 -7.148 5.710 1.00 0.00 O ATOM 217 NE2 GLN A 16 7.421 -5.463 4.535 1.00 0.00 N ATOM 0 H GLN A 16 8.546 -6.476 2.402 1.00 0.00 H new ATOM 0 HA GLN A 16 6.833 -8.636 2.680 1.00 0.00 H new ATOM 0 HB2 GLN A 16 6.596 -5.765 1.970 1.00 0.00 H new ATOM 0 HB3 GLN A 16 5.265 -6.777 1.446 1.00 0.00 H new ATOM 0 HG2 GLN A 16 4.749 -5.987 3.665 1.00 0.00 H new ATOM 0 HG3 GLN A 16 5.082 -7.704 3.767 1.00 0.00 H new ATOM 0 HE21 GLN A 16 7.407 -4.909 3.679 1.00 0.00 H new ATOM 0 HE22 GLN A 16 8.092 -5.246 5.272 1.00 0.00 H new ATOM 226 N LEU A 17 7.370 -7.795 -0.487 1.00 0.00 N ATOM 227 CA LEU A 17 7.280 -8.264 -1.869 1.00 0.00 C ATOM 228 C LEU A 17 7.754 -9.724 -2.016 1.00 0.00 C ATOM 229 O LEU A 17 7.396 -10.365 -3.002 1.00 0.00 O ATOM 230 CB LEU A 17 8.047 -7.287 -2.785 1.00 0.00 C ATOM 231 CG LEU A 17 7.998 -7.591 -4.294 1.00 0.00 C ATOM 232 CD1 LEU A 17 6.566 -7.622 -4.838 1.00 0.00 C ATOM 233 CD2 LEU A 17 8.767 -6.502 -5.054 1.00 0.00 C ATOM 0 H LEU A 17 7.857 -6.904 -0.390 1.00 0.00 H new ATOM 0 HA LEU A 17 6.235 -8.272 -2.178 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.651 -6.284 -2.624 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.091 -7.272 -2.472 1.00 0.00 H new ATOM 0 HG LEU A 17 8.444 -8.575 -4.438 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.587 -7.840 -5.906 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.997 -8.395 -4.321 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.094 -6.653 -4.675 1.00 0.00 H new ATOM 0 HD21 LEU A 17 8.735 -6.713 -6.123 1.00 0.00 H new ATOM 0 HD22 LEU A 17 8.309 -5.532 -4.862 1.00 0.00 H new ATOM 0 HD23 LEU A 17 9.804 -6.487 -4.718 1.00 0.00 H new ATOM 245 N ALA A 18 8.529 -10.261 -1.062 1.00 0.00 N ATOM 246 CA ALA A 18 8.934 -11.660 -1.036 1.00 0.00 C ATOM 247 C ALA A 18 8.118 -12.454 0.001 1.00 0.00 C ATOM 248 O ALA A 18 7.481 -13.453 -0.336 1.00 0.00 O ATOM 249 CB ALA A 18 10.433 -11.739 -0.729 1.00 0.00 C ATOM 0 H ALA A 18 8.894 -9.720 -0.278 1.00 0.00 H new ATOM 0 HA ALA A 18 8.740 -12.108 -2.011 1.00 0.00 H new ATOM 0 HB1 ALA A 18 10.745 -12.783 -0.707 1.00 0.00 H new ATOM 0 HB2 ALA A 18 10.991 -11.209 -1.501 1.00 0.00 H new ATOM 0 HB3 ALA A 18 10.631 -11.281 0.240 1.00 0.00 H new ATOM 255 N LYS A 19 8.133 -12.037 1.274 1.00 0.00 N ATOM 256 CA LYS A 19 7.507 -12.818 2.343 1.00 0.00 C ATOM 257 C LYS A 19 5.975 -12.858 2.273 1.00 0.00 C ATOM 258 O LYS A 19 5.378 -13.715 2.921 1.00 0.00 O ATOM 259 CB LYS A 19 7.991 -12.353 3.728 1.00 0.00 C ATOM 260 CG LYS A 19 7.523 -10.945 4.124 1.00 0.00 C ATOM 261 CD LYS A 19 7.910 -10.552 5.558 1.00 0.00 C ATOM 262 CE LYS A 19 6.829 -10.878 6.599 1.00 0.00 C ATOM 263 NZ LYS A 19 6.560 -12.321 6.704 1.00 0.00 N ATOM 0 H LYS A 19 8.569 -11.169 1.585 1.00 0.00 H new ATOM 0 HA LYS A 19 7.833 -13.846 2.185 1.00 0.00 H new ATOM 0 HB2 LYS A 19 7.643 -13.063 4.478 1.00 0.00 H new ATOM 0 HB3 LYS A 19 9.081 -12.379 3.746 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.949 -10.220 3.430 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.439 -10.888 4.020 1.00 0.00 H new ATOM 0 HD2 LYS A 19 8.832 -11.066 5.830 1.00 0.00 H new ATOM 0 HD3 LYS A 19 8.121 -9.483 5.588 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.141 -10.499 7.572 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.908 -10.359 6.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.996 -12.508 7.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.034 -12.638 5.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 7.460 -12.838 6.764 1.00 0.00 H new ATOM 277 N GLY A 20 5.319 -11.970 1.518 1.00 0.00 N ATOM 278 CA GLY A 20 3.866 -11.988 1.405 1.00 0.00 C ATOM 279 C GLY A 20 3.349 -13.214 0.633 1.00 0.00 C ATOM 280 O GLY A 20 2.134 -13.441 0.602 1.00 0.00 O ATOM 0 H GLY A 20 5.775 -11.233 0.979 1.00 0.00 H new ATOM 0 HA2 GLY A 20 3.427 -11.980 2.403 1.00 0.00 H new ATOM 0 HA3 GLY A 20 3.533 -11.080 0.903 1.00 0.00 H new ATOM 284 N LYS A 21 4.257 -13.996 0.025 1.00 0.00 N ATOM 285 CA LYS A 21 3.991 -15.202 -0.754 1.00 0.00 C ATOM 286 C LYS A 21 3.230 -14.832 -2.024 1.00 0.00 C ATOM 287 O LYS A 21 2.153 -15.350 -2.304 1.00 0.00 O ATOM 288 CB LYS A 21 3.270 -16.271 0.087 1.00 0.00 C ATOM 289 CG LYS A 21 4.012 -16.607 1.391 1.00 0.00 C ATOM 290 CD LYS A 21 5.482 -17.015 1.206 1.00 0.00 C ATOM 291 CE LYS A 21 5.643 -18.223 0.273 1.00 0.00 C ATOM 292 NZ LYS A 21 7.051 -18.644 0.181 1.00 0.00 N ATOM 0 H LYS A 21 5.254 -13.784 0.071 1.00 0.00 H new ATOM 0 HA LYS A 21 4.937 -15.653 -1.053 1.00 0.00 H new ATOM 0 HB2 LYS A 21 2.266 -15.921 0.326 1.00 0.00 H new ATOM 0 HB3 LYS A 21 3.159 -17.179 -0.506 1.00 0.00 H new ATOM 0 HG2 LYS A 21 3.970 -15.740 2.051 1.00 0.00 H new ATOM 0 HG3 LYS A 21 3.485 -17.417 1.895 1.00 0.00 H new ATOM 0 HD2 LYS A 21 6.042 -16.171 0.803 1.00 0.00 H new ATOM 0 HD3 LYS A 21 5.916 -17.250 2.178 1.00 0.00 H new ATOM 0 HE2 LYS A 21 5.037 -19.051 0.639 1.00 0.00 H new ATOM 0 HE3 LYS A 21 5.271 -17.970 -0.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 7.128 -19.462 -0.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 7.624 -17.860 -0.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 7.397 -18.908 1.126 1.00 0.00 H new ATOM 306 N GLU A 22 3.839 -13.927 -2.791 1.00 0.00 N ATOM 307 CA GLU A 22 3.401 -13.324 -4.036 1.00 0.00 C ATOM 308 C GLU A 22 3.371 -14.352 -5.168 1.00 0.00 C ATOM 309 O GLU A 22 4.096 -14.249 -6.154 1.00 0.00 O ATOM 310 CB GLU A 22 4.341 -12.155 -4.363 1.00 0.00 C ATOM 311 CG GLU A 22 4.092 -10.928 -3.474 1.00 0.00 C ATOM 312 CD GLU A 22 4.594 -11.011 -2.037 1.00 0.00 C ATOM 313 OE1 GLU A 22 5.339 -11.961 -1.712 1.00 0.00 O ATOM 314 OE2 GLU A 22 4.211 -10.095 -1.282 1.00 0.00 O ATOM 0 H GLU A 22 4.752 -13.563 -2.518 1.00 0.00 H new ATOM 0 HA GLU A 22 2.382 -12.952 -3.928 1.00 0.00 H new ATOM 0 HB2 GLU A 22 5.374 -12.481 -4.244 1.00 0.00 H new ATOM 0 HB3 GLU A 22 4.214 -11.873 -5.408 1.00 0.00 H new ATOM 0 HG2 GLU A 22 4.558 -10.064 -3.948 1.00 0.00 H new ATOM 0 HG3 GLU A 22 3.019 -10.738 -3.449 1.00 0.00 H new ATOM 321 N GLU A 23 2.497 -15.335 -4.998 1.00 0.00 N ATOM 322 CA GLU A 23 2.222 -16.414 -5.915 1.00 0.00 C ATOM 323 C GLU A 23 0.732 -16.372 -6.227 1.00 0.00 C ATOM 324 O GLU A 23 -0.101 -16.917 -5.507 1.00 0.00 O ATOM 325 CB GLU A 23 2.608 -17.758 -5.317 1.00 0.00 C ATOM 326 CG GLU A 23 4.104 -17.833 -4.982 1.00 0.00 C ATOM 327 CD GLU A 23 4.469 -19.176 -4.361 1.00 0.00 C ATOM 328 OE1 GLU A 23 4.394 -20.182 -5.100 1.00 0.00 O ATOM 329 OE2 GLU A 23 4.812 -19.174 -3.158 1.00 0.00 O ATOM 0 H GLU A 23 1.926 -15.396 -4.155 1.00 0.00 H new ATOM 0 HA GLU A 23 2.811 -16.295 -6.824 1.00 0.00 H new ATOM 0 HB2 GLU A 23 2.025 -17.933 -4.413 1.00 0.00 H new ATOM 0 HB3 GLU A 23 2.354 -18.553 -6.018 1.00 0.00 H new ATOM 0 HG2 GLU A 23 4.689 -17.679 -5.888 1.00 0.00 H new ATOM 0 HG3 GLU A 23 4.365 -17.029 -4.293 1.00 0.00 H new ATOM 336 N HIS A 24 0.450 -15.680 -7.316 1.00 0.00 N ATOM 337 CA HIS A 24 -0.849 -15.418 -7.922 1.00 0.00 C ATOM 338 C HIS A 24 -1.679 -14.500 -7.019 1.00 0.00 C ATOM 339 O HIS A 24 -2.648 -14.946 -6.409 1.00 0.00 O ATOM 340 CB HIS A 24 -1.564 -16.742 -8.241 1.00 0.00 C ATOM 341 CG HIS A 24 -2.740 -16.589 -9.175 1.00 0.00 C ATOM 342 ND1 HIS A 24 -3.136 -17.637 -10.009 1.00 0.00 N ATOM 343 CD2 HIS A 24 -3.554 -15.511 -9.408 1.00 0.00 C ATOM 344 CE1 HIS A 24 -4.170 -17.150 -10.703 1.00 0.00 C ATOM 345 NE2 HIS A 24 -4.455 -15.882 -10.379 1.00 0.00 N ATOM 0 H HIS A 24 1.198 -15.243 -7.854 1.00 0.00 H new ATOM 0 HA HIS A 24 -0.712 -14.895 -8.868 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -0.847 -17.434 -8.684 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -1.908 -17.192 -7.310 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -3.498 -14.549 -8.920 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -4.715 -17.717 -11.443 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -5.196 -15.304 -10.775 1.00 0.00 H new ATOM 353 N LYS A 25 -1.324 -13.209 -6.948 1.00 0.00 N ATOM 354 CA LYS A 25 -2.044 -12.235 -6.129 1.00 0.00 C ATOM 355 C LYS A 25 -1.544 -10.802 -6.372 1.00 0.00 C ATOM 356 O LYS A 25 -0.401 -10.614 -6.800 1.00 0.00 O ATOM 357 CB LYS A 25 -1.920 -12.604 -4.641 1.00 0.00 C ATOM 358 CG LYS A 25 -0.473 -12.844 -4.181 1.00 0.00 C ATOM 359 CD LYS A 25 -0.404 -13.454 -2.774 1.00 0.00 C ATOM 360 CE LYS A 25 -1.023 -14.858 -2.722 1.00 0.00 C ATOM 361 NZ LYS A 25 -0.592 -15.596 -1.525 1.00 0.00 N ATOM 0 H LYS A 25 -0.532 -12.816 -7.456 1.00 0.00 H new ATOM 0 HA LYS A 25 -3.094 -12.266 -6.420 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -2.355 -11.805 -4.040 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.506 -13.502 -4.449 1.00 0.00 H new ATOM 0 HG2 LYS A 25 0.025 -13.508 -4.887 1.00 0.00 H new ATOM 0 HG3 LYS A 25 0.071 -11.900 -4.193 1.00 0.00 H new ATOM 0 HD2 LYS A 25 0.636 -13.505 -2.452 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -0.924 -12.803 -2.071 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.110 -14.777 -2.729 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -0.739 -15.415 -3.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -1.016 -16.546 -1.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 0.445 -15.679 -1.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -0.900 -15.085 -0.673 1.00 0.00 H new ATOM 375 N PRO A 26 -2.386 -9.782 -6.115 1.00 0.00 N ATOM 376 CA PRO A 26 -2.031 -8.386 -6.315 1.00 0.00 C ATOM 377 C PRO A 26 -1.268 -7.766 -5.141 1.00 0.00 C ATOM 378 O PRO A 26 -1.645 -7.922 -3.979 1.00 0.00 O ATOM 379 CB PRO A 26 -3.361 -7.668 -6.551 1.00 0.00 C ATOM 380 CG PRO A 26 -4.308 -8.449 -5.647 1.00 0.00 C ATOM 381 CD PRO A 26 -3.814 -9.888 -5.826 1.00 0.00 C ATOM 0 HA PRO A 26 -1.342 -8.290 -7.154 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -3.310 -6.615 -6.276 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -3.667 -7.710 -7.596 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -4.242 -8.122 -4.609 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -5.348 -8.335 -5.952 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -3.989 -10.477 -4.926 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -4.342 -10.385 -6.639 1.00 0.00 H new ATOM 389 N ILE A 27 -0.203 -7.027 -5.464 1.00 0.00 N ATOM 390 CA ILE A 27 0.555 -6.219 -4.532 1.00 0.00 C ATOM 391 C ILE A 27 0.136 -4.786 -4.833 1.00 0.00 C ATOM 392 O ILE A 27 0.582 -4.187 -5.813 1.00 0.00 O ATOM 393 CB ILE A 27 2.076 -6.439 -4.661 1.00 0.00 C ATOM 394 CG1 ILE A 27 2.479 -7.906 -4.422 1.00 0.00 C ATOM 395 CG2 ILE A 27 2.805 -5.550 -3.641 1.00 0.00 C ATOM 396 CD1 ILE A 27 2.459 -8.745 -5.703 1.00 0.00 C ATOM 0 H ILE A 27 0.159 -6.980 -6.416 1.00 0.00 H new ATOM 0 HA ILE A 27 0.345 -6.488 -3.497 1.00 0.00 H new ATOM 0 HB ILE A 27 2.359 -6.177 -5.681 1.00 0.00 H new ATOM 0 HG12 ILE A 27 3.479 -7.937 -3.989 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.801 -8.350 -3.692 1.00 0.00 H new ATOM 0 HG21 ILE A 27 3.881 -5.702 -3.729 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.570 -4.504 -3.836 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.482 -5.812 -2.633 1.00 0.00 H new ATOM 0 HD11 ILE A 27 2.752 -9.769 -5.472 1.00 0.00 H new ATOM 0 HD12 ILE A 27 1.454 -8.741 -6.125 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.157 -8.322 -6.426 1.00 0.00 H new ATOM 408 N VAL A 28 -0.772 -4.263 -4.012 1.00 0.00 N ATOM 409 CA VAL A 28 -1.303 -2.925 -4.147 1.00 0.00 C ATOM 410 C VAL A 28 -0.399 -2.048 -3.295 1.00 0.00 C ATOM 411 O VAL A 28 -0.406 -2.167 -2.068 1.00 0.00 O ATOM 412 CB VAL A 28 -2.768 -2.876 -3.688 1.00 0.00 C ATOM 413 CG1 VAL A 28 -3.335 -1.473 -3.942 1.00 0.00 C ATOM 414 CG2 VAL A 28 -3.621 -3.896 -4.451 1.00 0.00 C ATOM 0 H VAL A 28 -1.162 -4.775 -3.221 1.00 0.00 H new ATOM 0 HA VAL A 28 -1.312 -2.581 -5.181 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.799 -3.116 -2.625 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -4.375 -1.436 -3.617 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.754 -0.739 -3.383 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.280 -1.245 -5.007 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.653 -3.839 -4.105 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.583 -3.676 -5.518 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.234 -4.899 -4.273 1.00 0.00 H new ATOM 424 N VAL A 29 0.404 -1.204 -3.942 1.00 0.00 N ATOM 425 CA VAL A 29 1.346 -0.353 -3.235 1.00 0.00 C ATOM 426 C VAL A 29 0.986 1.122 -3.410 1.00 0.00 C ATOM 427 O VAL A 29 0.861 1.616 -4.533 1.00 0.00 O ATOM 428 CB VAL A 29 2.786 -0.694 -3.637 1.00 0.00 C ATOM 429 CG1 VAL A 29 3.115 -0.409 -5.105 1.00 0.00 C ATOM 430 CG2 VAL A 29 3.748 0.063 -2.717 1.00 0.00 C ATOM 0 H VAL A 29 0.417 -1.095 -4.956 1.00 0.00 H new ATOM 0 HA VAL A 29 1.278 -0.548 -2.165 1.00 0.00 H new ATOM 0 HB VAL A 29 2.901 -1.772 -3.523 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.152 -0.678 -5.304 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.458 -0.997 -5.746 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.969 0.651 -5.311 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.776 -0.172 -2.993 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.581 1.135 -2.819 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.573 -0.235 -1.683 1.00 0.00 H new ATOM 440 N ASP A 30 0.798 1.806 -2.277 1.00 0.00 N ATOM 441 CA ASP A 30 0.471 3.220 -2.205 1.00 0.00 C ATOM 442 C ASP A 30 1.749 4.057 -2.174 1.00 0.00 C ATOM 443 O ASP A 30 2.403 4.169 -1.133 1.00 0.00 O ATOM 444 CB ASP A 30 -0.374 3.480 -0.949 1.00 0.00 C ATOM 445 CG ASP A 30 -0.755 4.949 -0.757 1.00 0.00 C ATOM 446 OD1 ASP A 30 -0.404 5.776 -1.628 1.00 0.00 O ATOM 447 OD2 ASP A 30 -1.380 5.226 0.289 1.00 0.00 O ATOM 0 H ASP A 30 0.873 1.369 -1.358 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.101 3.507 -3.087 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.284 2.882 -1.004 1.00 0.00 H new ATOM 0 HB3 ASP A 30 0.179 3.140 -0.073 1.00 0.00 H new ATOM 452 N PHE A 31 2.112 4.644 -3.311 1.00 0.00 N ATOM 453 CA PHE A 31 3.204 5.601 -3.369 1.00 0.00 C ATOM 454 C PHE A 31 2.633 6.940 -2.913 1.00 0.00 C ATOM 455 O PHE A 31 1.761 7.496 -3.581 1.00 0.00 O ATOM 456 CB PHE A 31 3.777 5.717 -4.780 1.00 0.00 C ATOM 457 CG PHE A 31 4.630 4.559 -5.252 1.00 0.00 C ATOM 458 CD1 PHE A 31 4.052 3.508 -5.988 1.00 0.00 C ATOM 459 CD2 PHE A 31 6.030 4.649 -5.149 1.00 0.00 C ATOM 460 CE1 PHE A 31 4.878 2.602 -6.677 1.00 0.00 C ATOM 461 CE2 PHE A 31 6.852 3.740 -5.828 1.00 0.00 C ATOM 462 CZ PHE A 31 6.276 2.733 -6.618 1.00 0.00 C ATOM 0 H PHE A 31 1.660 4.470 -4.209 1.00 0.00 H new ATOM 0 HA PHE A 31 4.025 5.278 -2.729 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.948 5.839 -5.477 1.00 0.00 H new ATOM 0 HB3 PHE A 31 4.375 6.627 -4.833 1.00 0.00 H new ATOM 0 HD1 PHE A 31 2.978 3.398 -6.024 1.00 0.00 H new ATOM 0 HD2 PHE A 31 6.474 5.424 -4.542 1.00 0.00 H new ATOM 0 HE1 PHE A 31 4.436 1.803 -7.254 1.00 0.00 H new ATOM 0 HE2 PHE A 31 7.926 3.814 -5.744 1.00 0.00 H new ATOM 0 HZ PHE A 31 6.906 2.060 -7.180 1.00 0.00 H new ATOM 472 N THR A 32 3.123 7.455 -1.787 1.00 0.00 N ATOM 473 CA THR A 32 2.666 8.694 -1.182 1.00 0.00 C ATOM 474 C THR A 32 3.886 9.437 -0.634 1.00 0.00 C ATOM 475 O THR A 32 4.956 8.846 -0.496 1.00 0.00 O ATOM 476 CB THR A 32 1.611 8.335 -0.116 1.00 0.00 C ATOM 477 OG1 THR A 32 0.355 8.205 -0.748 1.00 0.00 O ATOM 478 CG2 THR A 32 1.438 9.376 0.993 1.00 0.00 C ATOM 0 H THR A 32 3.871 7.005 -1.259 1.00 0.00 H new ATOM 0 HA THR A 32 2.186 9.367 -1.892 1.00 0.00 H new ATOM 0 HB THR A 32 1.968 7.416 0.348 1.00 0.00 H new ATOM 0 HG1 THR A 32 0.251 7.290 -1.085 1.00 0.00 H new ATOM 0 HG21 THR A 32 0.676 9.037 1.695 1.00 0.00 H new ATOM 0 HG22 THR A 32 2.383 9.508 1.519 1.00 0.00 H new ATOM 0 HG23 THR A 32 1.131 10.326 0.556 1.00 0.00 H new ATOM 486 N ALA A 33 3.734 10.739 -0.377 1.00 0.00 N ATOM 487 CA ALA A 33 4.754 11.600 0.202 1.00 0.00 C ATOM 488 C ALA A 33 4.281 12.096 1.566 1.00 0.00 C ATOM 489 O ALA A 33 3.095 12.025 1.879 1.00 0.00 O ATOM 490 CB ALA A 33 5.009 12.789 -0.725 1.00 0.00 C ATOM 0 H ALA A 33 2.865 11.234 -0.575 1.00 0.00 H new ATOM 0 HA ALA A 33 5.681 11.039 0.323 1.00 0.00 H new ATOM 0 HB1 ALA A 33 5.773 13.433 -0.289 1.00 0.00 H new ATOM 0 HB2 ALA A 33 5.349 12.427 -1.695 1.00 0.00 H new ATOM 0 HB3 ALA A 33 4.087 13.356 -0.852 1.00 0.00 H new ATOM 496 N THR A 34 5.206 12.613 2.370 1.00 0.00 N ATOM 497 CA THR A 34 4.914 13.146 3.692 1.00 0.00 C ATOM 498 C THR A 34 4.298 14.539 3.559 1.00 0.00 C ATOM 499 O THR A 34 3.190 14.798 4.024 1.00 0.00 O ATOM 500 CB THR A 34 6.213 13.205 4.509 1.00 0.00 C ATOM 501 OG1 THR A 34 7.222 13.894 3.793 1.00 0.00 O ATOM 502 CG2 THR A 34 6.701 11.794 4.846 1.00 0.00 C ATOM 0 H THR A 34 6.192 12.673 2.116 1.00 0.00 H new ATOM 0 HA THR A 34 4.201 12.500 4.205 1.00 0.00 H new ATOM 0 HB THR A 34 6.003 13.741 5.434 1.00 0.00 H new ATOM 0 HG1 THR A 34 7.610 13.298 3.119 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.622 11.856 5.425 1.00 0.00 H new ATOM 0 HG22 THR A 34 5.940 11.276 5.429 1.00 0.00 H new ATOM 0 HG23 THR A 34 6.889 11.244 3.924 1.00 0.00 H new ATOM 510 N TRP A 35 5.046 15.432 2.910 1.00 0.00 N ATOM 511 CA TRP A 35 4.707 16.832 2.703 1.00 0.00 C ATOM 512 C TRP A 35 3.301 17.036 2.126 1.00 0.00 C ATOM 513 O TRP A 35 2.666 18.042 2.441 1.00 0.00 O ATOM 514 CB TRP A 35 5.784 17.481 1.822 1.00 0.00 C ATOM 515 CG TRP A 35 6.103 16.787 0.532 1.00 0.00 C ATOM 516 CD1 TRP A 35 7.106 15.898 0.346 1.00 0.00 C ATOM 517 CD2 TRP A 35 5.425 16.894 -0.757 1.00 0.00 C ATOM 518 NE1 TRP A 35 7.100 15.456 -0.957 1.00 0.00 N ATOM 519 CE2 TRP A 35 6.073 16.022 -1.681 1.00 0.00 C ATOM 520 CE3 TRP A 35 4.317 17.626 -1.240 1.00 0.00 C ATOM 521 CZ2 TRP A 35 5.635 15.866 -3.004 1.00 0.00 C ATOM 522 CZ3 TRP A 35 3.872 17.481 -2.567 1.00 0.00 C ATOM 523 CH2 TRP A 35 4.522 16.595 -3.447 1.00 0.00 C ATOM 0 H TRP A 35 5.945 15.183 2.497 1.00 0.00 H new ATOM 0 HA TRP A 35 4.686 17.322 3.677 1.00 0.00 H new ATOM 0 HB2 TRP A 35 5.469 18.499 1.592 1.00 0.00 H new ATOM 0 HB3 TRP A 35 6.702 17.555 2.405 1.00 0.00 H new ATOM 0 HD1 TRP A 35 7.806 15.583 1.106 1.00 0.00 H new ATOM 0 HE1 TRP A 35 7.773 14.792 -1.340 1.00 0.00 H new ATOM 0 HE3 TRP A 35 3.803 18.308 -0.579 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 6.149 15.192 -3.674 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 3.025 18.054 -2.913 1.00 0.00 H new ATOM 0 HH2 TRP A 35 4.165 16.477 -4.459 1.00 0.00 H new ATOM 534 N CYS A 36 2.783 16.115 1.306 1.00 0.00 N ATOM 535 CA CYS A 36 1.435 16.242 0.743 1.00 0.00 C ATOM 536 C CYS A 36 0.373 15.874 1.786 1.00 0.00 C ATOM 537 O CYS A 36 -0.497 15.061 1.506 1.00 0.00 O ATOM 538 CB CYS A 36 1.286 15.404 -0.540 1.00 0.00 C ATOM 539 SG CYS A 36 1.363 13.594 -0.419 1.00 0.00 S ATOM 0 H CYS A 36 3.279 15.272 1.017 1.00 0.00 H new ATOM 0 HA CYS A 36 1.279 17.285 0.467 1.00 0.00 H new ATOM 0 HB2 CYS A 36 0.330 15.664 -0.994 1.00 0.00 H new ATOM 0 HB3 CYS A 36 2.065 15.721 -1.233 1.00 0.00 H new ATOM 544 N GLY A 37 0.395 16.532 2.951 1.00 0.00 N ATOM 545 CA GLY A 37 -0.484 16.344 4.109 1.00 0.00 C ATOM 546 C GLY A 37 -1.783 15.572 3.834 1.00 0.00 C ATOM 547 O GLY A 37 -1.924 14.455 4.334 1.00 0.00 O ATOM 0 H GLY A 37 1.082 17.267 3.121 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.073 15.819 4.885 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.742 17.324 4.510 1.00 0.00 H new ATOM 551 N PRO A 38 -2.730 16.141 3.061 1.00 0.00 N ATOM 552 CA PRO A 38 -4.006 15.518 2.720 1.00 0.00 C ATOM 553 C PRO A 38 -3.904 14.035 2.359 1.00 0.00 C ATOM 554 O PRO A 38 -4.762 13.249 2.754 1.00 0.00 O ATOM 555 CB PRO A 38 -4.562 16.348 1.562 1.00 0.00 C ATOM 556 CG PRO A 38 -4.039 17.746 1.888 1.00 0.00 C ATOM 557 CD PRO A 38 -2.645 17.460 2.450 1.00 0.00 C ATOM 0 HA PRO A 38 -4.665 15.518 3.588 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -4.201 15.993 0.597 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -5.651 16.319 1.526 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -3.996 18.379 1.002 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.672 18.256 2.614 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -1.893 17.478 1.661 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -2.356 18.213 3.183 1.00 0.00 H new ATOM 565 N CYS A 39 -2.850 13.653 1.631 1.00 0.00 N ATOM 566 CA CYS A 39 -2.541 12.281 1.244 1.00 0.00 C ATOM 567 C CYS A 39 -2.763 11.320 2.416 1.00 0.00 C ATOM 568 O CYS A 39 -3.348 10.248 2.264 1.00 0.00 O ATOM 569 CB CYS A 39 -1.072 12.165 0.814 1.00 0.00 C ATOM 570 SG CYS A 39 -0.581 12.907 -0.764 1.00 0.00 S ATOM 0 H CYS A 39 -2.163 14.322 1.283 1.00 0.00 H new ATOM 0 HA CYS A 39 -3.202 12.019 0.418 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -0.460 12.612 1.597 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -0.819 11.106 0.777 1.00 0.00 H new ATOM 575 N LYS A 40 -2.300 11.723 3.603 1.00 0.00 N ATOM 576 CA LYS A 40 -2.358 10.922 4.812 1.00 0.00 C ATOM 577 C LYS A 40 -3.787 10.477 5.146 1.00 0.00 C ATOM 578 O LYS A 40 -3.965 9.409 5.722 1.00 0.00 O ATOM 579 CB LYS A 40 -1.719 11.726 5.955 1.00 0.00 C ATOM 580 CG LYS A 40 -1.321 10.834 7.139 1.00 0.00 C ATOM 581 CD LYS A 40 -0.666 11.633 8.276 1.00 0.00 C ATOM 582 CE LYS A 40 0.655 12.297 7.861 1.00 0.00 C ATOM 583 NZ LYS A 40 1.337 12.896 9.021 1.00 0.00 N ATOM 0 H LYS A 40 -1.867 12.636 3.745 1.00 0.00 H new ATOM 0 HA LYS A 40 -1.798 9.999 4.661 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -0.837 12.247 5.582 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -2.419 12.489 6.296 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -2.205 10.323 7.520 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.631 10.064 6.795 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -1.360 12.401 8.619 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -0.482 10.969 9.120 1.00 0.00 H new ATOM 0 HE2 LYS A 40 1.306 11.558 7.395 1.00 0.00 H new ATOM 0 HE3 LYS A 40 0.460 13.066 7.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 2.226 13.337 8.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 0.723 13.618 9.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 1.544 12.156 9.722 1.00 0.00 H new ATOM 597 N MET A 41 -4.809 11.250 4.768 1.00 0.00 N ATOM 598 CA MET A 41 -6.204 10.910 5.039 1.00 0.00 C ATOM 599 C MET A 41 -6.660 9.693 4.234 1.00 0.00 C ATOM 600 O MET A 41 -7.638 9.049 4.610 1.00 0.00 O ATOM 601 CB MET A 41 -7.099 12.121 4.740 1.00 0.00 C ATOM 602 CG MET A 41 -6.718 13.349 5.579 1.00 0.00 C ATOM 603 SD MET A 41 -7.642 14.864 5.211 1.00 0.00 S ATOM 604 CE MET A 41 -9.314 14.359 5.673 1.00 0.00 C ATOM 0 H MET A 41 -4.690 12.129 4.265 1.00 0.00 H new ATOM 0 HA MET A 41 -6.289 10.648 6.094 1.00 0.00 H new ATOM 0 HB2 MET A 41 -7.027 12.371 3.681 1.00 0.00 H new ATOM 0 HB3 MET A 41 -8.139 11.859 4.936 1.00 0.00 H new ATOM 0 HG2 MET A 41 -6.859 13.105 6.632 1.00 0.00 H new ATOM 0 HG3 MET A 41 -5.656 13.549 5.437 1.00 0.00 H new ATOM 0 HE1 MET A 41 -9.970 15.230 5.674 1.00 0.00 H new ATOM 0 HE2 MET A 41 -9.684 13.627 4.955 1.00 0.00 H new ATOM 0 HE3 MET A 41 -9.298 13.915 6.669 1.00 0.00 H new ATOM 614 N ILE A 42 -5.964 9.348 3.147 1.00 0.00 N ATOM 615 CA ILE A 42 -6.320 8.175 2.371 1.00 0.00 C ATOM 616 C ILE A 42 -5.751 6.934 3.067 1.00 0.00 C ATOM 617 O ILE A 42 -6.329 5.857 2.957 1.00 0.00 O ATOM 618 CB ILE A 42 -5.844 8.323 0.915 1.00 0.00 C ATOM 619 CG1 ILE A 42 -6.610 9.451 0.196 1.00 0.00 C ATOM 620 CG2 ILE A 42 -6.109 7.019 0.153 1.00 0.00 C ATOM 621 CD1 ILE A 42 -6.044 10.849 0.452 1.00 0.00 C ATOM 0 H ILE A 42 -5.159 9.865 2.793 1.00 0.00 H new ATOM 0 HA ILE A 42 -7.403 8.064 2.321 1.00 0.00 H new ATOM 0 HB ILE A 42 -4.779 8.557 0.934 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -6.600 9.257 -0.877 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -7.652 9.428 0.514 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -5.772 7.125 -0.878 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -5.567 6.202 0.630 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -7.177 6.801 0.165 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -6.638 11.586 -0.088 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -6.080 11.066 1.520 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -5.011 10.892 0.107 1.00 0.00 H new ATOM 633 N ALA A 43 -4.644 7.070 3.805 1.00 0.00 N ATOM 634 CA ALA A 43 -4.014 5.960 4.513 1.00 0.00 C ATOM 635 C ALA A 43 -5.013 5.133 5.347 1.00 0.00 C ATOM 636 O ALA A 43 -5.057 3.922 5.141 1.00 0.00 O ATOM 637 CB ALA A 43 -2.842 6.461 5.364 1.00 0.00 C ATOM 0 H ALA A 43 -4.160 7.960 3.926 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.625 5.278 3.757 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -2.385 5.620 5.885 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -2.101 6.935 4.720 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.205 7.185 6.094 1.00 0.00 H new ATOM 643 N PRO A 44 -5.819 5.698 6.270 1.00 0.00 N ATOM 644 CA PRO A 44 -6.779 4.916 7.043 1.00 0.00 C ATOM 645 C PRO A 44 -7.815 4.241 6.143 1.00 0.00 C ATOM 646 O PRO A 44 -8.160 3.082 6.362 1.00 0.00 O ATOM 647 CB PRO A 44 -7.425 5.884 8.039 1.00 0.00 C ATOM 648 CG PRO A 44 -7.224 7.251 7.392 1.00 0.00 C ATOM 649 CD PRO A 44 -5.875 7.087 6.695 1.00 0.00 C ATOM 0 HA PRO A 44 -6.283 4.100 7.569 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -8.482 5.662 8.186 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -6.948 5.830 9.018 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -8.020 7.488 6.686 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -7.205 8.052 8.131 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -5.790 7.761 5.843 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -5.053 7.323 7.371 1.00 0.00 H new ATOM 657 N LEU A 45 -8.319 4.952 5.135 1.00 0.00 N ATOM 658 CA LEU A 45 -9.279 4.387 4.180 1.00 0.00 C ATOM 659 C LEU A 45 -8.675 3.141 3.521 1.00 0.00 C ATOM 660 O LEU A 45 -9.249 2.051 3.547 1.00 0.00 O ATOM 661 CB LEU A 45 -9.647 5.448 3.123 1.00 0.00 C ATOM 662 CG LEU A 45 -11.001 6.138 3.352 1.00 0.00 C ATOM 663 CD1 LEU A 45 -12.166 5.220 2.962 1.00 0.00 C ATOM 664 CD2 LEU A 45 -11.166 6.651 4.787 1.00 0.00 C ATOM 0 H LEU A 45 -8.078 5.927 4.956 1.00 0.00 H new ATOM 0 HA LEU A 45 -10.190 4.094 4.702 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.866 6.208 3.103 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -9.657 4.975 2.141 1.00 0.00 H new ATOM 0 HG LEU A 45 -11.018 7.011 2.699 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -13.110 5.737 3.135 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -12.085 4.957 1.907 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -12.132 4.313 3.566 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -12.140 7.129 4.893 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -11.095 5.815 5.483 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -10.381 7.374 5.007 1.00 0.00 H new ATOM 676 N PHE A 46 -7.490 3.316 2.941 1.00 0.00 N ATOM 677 CA PHE A 46 -6.730 2.258 2.302 1.00 0.00 C ATOM 678 C PHE A 46 -6.506 1.122 3.301 1.00 0.00 C ATOM 679 O PHE A 46 -6.728 -0.031 2.957 1.00 0.00 O ATOM 680 CB PHE A 46 -5.416 2.857 1.785 1.00 0.00 C ATOM 681 CG PHE A 46 -4.435 1.879 1.165 1.00 0.00 C ATOM 682 CD1 PHE A 46 -4.767 1.209 -0.027 1.00 0.00 C ATOM 683 CD2 PHE A 46 -3.132 1.762 1.688 1.00 0.00 C ATOM 684 CE1 PHE A 46 -3.798 0.442 -0.698 1.00 0.00 C ATOM 685 CE2 PHE A 46 -2.169 0.982 1.023 1.00 0.00 C ATOM 686 CZ PHE A 46 -2.503 0.313 -0.166 1.00 0.00 C ATOM 0 H PHE A 46 -7.025 4.223 2.904 1.00 0.00 H new ATOM 0 HA PHE A 46 -7.268 1.835 1.453 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -5.655 3.620 1.044 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -4.920 3.362 2.614 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -5.767 1.284 -0.427 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -2.872 2.273 2.603 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -4.050 -0.050 -1.626 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -1.171 0.897 1.427 1.00 0.00 H new ATOM 0 HZ PHE A 46 -1.768 -0.298 -0.669 1.00 0.00 H new ATOM 696 N GLU A 47 -6.116 1.426 4.542 1.00 0.00 N ATOM 697 CA GLU A 47 -5.893 0.435 5.588 1.00 0.00 C ATOM 698 C GLU A 47 -7.181 -0.347 5.883 1.00 0.00 C ATOM 699 O GLU A 47 -7.152 -1.567 6.060 1.00 0.00 O ATOM 700 CB GLU A 47 -5.358 1.144 6.838 1.00 0.00 C ATOM 701 CG GLU A 47 -4.915 0.155 7.923 1.00 0.00 C ATOM 702 CD GLU A 47 -4.227 0.872 9.081 1.00 0.00 C ATOM 703 OE1 GLU A 47 -4.783 1.900 9.525 1.00 0.00 O ATOM 704 OE2 GLU A 47 -3.154 0.383 9.495 1.00 0.00 O ATOM 0 H GLU A 47 -5.945 2.384 4.849 1.00 0.00 H new ATOM 0 HA GLU A 47 -5.153 -0.293 5.254 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -4.515 1.778 6.561 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -6.131 1.799 7.240 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -5.781 -0.392 8.295 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -4.235 -0.580 7.492 1.00 0.00 H new ATOM 711 N THR A 48 -8.323 0.340 5.937 1.00 0.00 N ATOM 712 CA THR A 48 -9.615 -0.302 6.150 1.00 0.00 C ATOM 713 C THR A 48 -9.825 -1.324 5.025 1.00 0.00 C ATOM 714 O THR A 48 -10.104 -2.496 5.277 1.00 0.00 O ATOM 715 CB THR A 48 -10.723 0.763 6.205 1.00 0.00 C ATOM 716 OG1 THR A 48 -10.418 1.717 7.201 1.00 0.00 O ATOM 717 CG2 THR A 48 -12.082 0.154 6.554 1.00 0.00 C ATOM 0 H THR A 48 -8.375 1.353 5.834 1.00 0.00 H new ATOM 0 HA THR A 48 -9.647 -0.829 7.103 1.00 0.00 H new ATOM 0 HB THR A 48 -10.776 1.220 5.217 1.00 0.00 H new ATOM 0 HG1 THR A 48 -9.669 2.274 6.902 1.00 0.00 H new ATOM 0 HG21 THR A 48 -12.836 0.940 6.583 1.00 0.00 H new ATOM 0 HG22 THR A 48 -12.355 -0.584 5.799 1.00 0.00 H new ATOM 0 HG23 THR A 48 -12.024 -0.329 7.529 1.00 0.00 H new ATOM 725 N LEU A 49 -9.627 -0.891 3.776 1.00 0.00 N ATOM 726 CA LEU A 49 -9.727 -1.782 2.626 1.00 0.00 C ATOM 727 C LEU A 49 -8.698 -2.913 2.744 1.00 0.00 C ATOM 728 O LEU A 49 -8.975 -4.058 2.393 1.00 0.00 O ATOM 729 CB LEU A 49 -9.498 -0.976 1.343 1.00 0.00 C ATOM 730 CG LEU A 49 -9.876 -1.730 0.066 1.00 0.00 C ATOM 731 CD1 LEU A 49 -11.395 -1.929 0.011 1.00 0.00 C ATOM 732 CD2 LEU A 49 -9.407 -0.904 -1.135 1.00 0.00 C ATOM 0 H LEU A 49 -9.396 0.074 3.540 1.00 0.00 H new ATOM 0 HA LEU A 49 -10.721 -2.229 2.594 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -10.078 -0.055 1.395 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -8.448 -0.689 1.287 1.00 0.00 H new ATOM 0 HG LEU A 49 -9.400 -2.711 0.051 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -11.659 -2.466 -0.900 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -11.718 -2.505 0.878 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -11.890 -0.958 0.016 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -9.666 -1.423 -2.057 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -9.894 0.071 -1.118 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -8.326 -0.771 -1.085 1.00 0.00 H new ATOM 744 N SER A 50 -7.507 -2.597 3.251 1.00 0.00 N ATOM 745 CA SER A 50 -6.440 -3.564 3.399 1.00 0.00 C ATOM 746 C SER A 50 -6.883 -4.716 4.288 1.00 0.00 C ATOM 747 O SER A 50 -6.641 -5.877 3.969 1.00 0.00 O ATOM 748 CB SER A 50 -5.167 -2.914 3.935 1.00 0.00 C ATOM 749 OG SER A 50 -4.723 -1.845 3.125 1.00 0.00 O ATOM 0 H SER A 50 -7.262 -1.659 3.569 1.00 0.00 H new ATOM 0 HA SER A 50 -6.210 -3.963 2.411 1.00 0.00 H new ATOM 0 HB2 SER A 50 -5.347 -2.549 4.946 1.00 0.00 H new ATOM 0 HB3 SER A 50 -4.380 -3.665 4.003 1.00 0.00 H new ATOM 0 HG SER A 50 -5.468 -1.231 2.957 1.00 0.00 H new ATOM 755 N ASN A 51 -7.537 -4.391 5.406 1.00 0.00 N ATOM 756 CA ASN A 51 -8.049 -5.407 6.312 1.00 0.00 C ATOM 757 C ASN A 51 -9.030 -6.313 5.560 1.00 0.00 C ATOM 758 O ASN A 51 -8.910 -7.536 5.625 1.00 0.00 O ATOM 759 CB ASN A 51 -8.719 -4.763 7.532 1.00 0.00 C ATOM 760 CG ASN A 51 -7.701 -4.315 8.579 1.00 0.00 C ATOM 761 OD1 ASN A 51 -7.528 -4.971 9.599 1.00 0.00 O ATOM 762 ND2 ASN A 51 -7.012 -3.201 8.353 1.00 0.00 N ATOM 0 H ASN A 51 -7.721 -3.432 5.700 1.00 0.00 H new ATOM 0 HA ASN A 51 -7.218 -6.011 6.677 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -9.308 -3.904 7.210 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -9.412 -5.474 7.982 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -6.325 -2.879 9.035 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -7.170 -2.668 7.498 1.00 0.00 H new ATOM 769 N ASP A 52 -9.976 -5.713 4.825 1.00 0.00 N ATOM 770 CA ASP A 52 -11.014 -6.445 4.097 1.00 0.00 C ATOM 771 C ASP A 52 -10.454 -7.628 3.295 1.00 0.00 C ATOM 772 O ASP A 52 -10.934 -8.747 3.462 1.00 0.00 O ATOM 773 CB ASP A 52 -11.793 -5.490 3.183 1.00 0.00 C ATOM 774 CG ASP A 52 -12.932 -6.215 2.478 1.00 0.00 C ATOM 775 OD1 ASP A 52 -13.979 -6.395 3.134 1.00 0.00 O ATOM 776 OD2 ASP A 52 -12.735 -6.567 1.295 1.00 0.00 O ATOM 0 H ASP A 52 -10.041 -4.700 4.720 1.00 0.00 H new ATOM 0 HA ASP A 52 -11.691 -6.866 4.840 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -12.192 -4.663 3.771 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -11.119 -5.059 2.443 1.00 0.00 H new ATOM 781 N TYR A 53 -9.442 -7.406 2.446 1.00 0.00 N ATOM 782 CA TYR A 53 -8.858 -8.482 1.639 1.00 0.00 C ATOM 783 C TYR A 53 -7.504 -8.936 2.203 1.00 0.00 C ATOM 784 O TYR A 53 -6.606 -9.266 1.423 1.00 0.00 O ATOM 785 CB TYR A 53 -8.657 -8.039 0.181 1.00 0.00 C ATOM 786 CG TYR A 53 -9.812 -7.382 -0.546 1.00 0.00 C ATOM 787 CD1 TYR A 53 -10.016 -6.001 -0.383 1.00 0.00 C ATOM 788 CD2 TYR A 53 -10.376 -8.033 -1.659 1.00 0.00 C ATOM 789 CE1 TYR A 53 -10.764 -5.277 -1.323 1.00 0.00 C ATOM 790 CE2 TYR A 53 -11.141 -7.312 -2.590 1.00 0.00 C ATOM 791 CZ TYR A 53 -11.382 -5.943 -2.391 1.00 0.00 C ATOM 792 OH TYR A 53 -12.092 -5.239 -3.316 1.00 0.00 O ATOM 0 H TYR A 53 -9.012 -6.492 2.301 1.00 0.00 H new ATOM 0 HA TYR A 53 -9.562 -9.314 1.674 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -7.816 -7.346 0.159 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -8.362 -8.917 -0.393 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -9.594 -5.494 0.472 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -10.220 -9.093 -1.798 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -10.864 -4.206 -1.224 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -11.544 -7.810 -3.459 1.00 0.00 H new ATOM 0 HH TYR A 53 -11.715 -4.338 -3.402 1.00 0.00 H new ATOM 802 N ALA A 54 -7.325 -8.965 3.528 1.00 0.00 N ATOM 803 CA ALA A 54 -6.048 -9.339 4.131 1.00 0.00 C ATOM 804 C ALA A 54 -5.752 -10.842 3.972 1.00 0.00 C ATOM 805 O ALA A 54 -5.769 -11.589 4.947 1.00 0.00 O ATOM 806 CB ALA A 54 -6.061 -8.947 5.613 1.00 0.00 C ATOM 0 H ALA A 54 -8.054 -8.732 4.203 1.00 0.00 H new ATOM 0 HA ALA A 54 -5.253 -8.804 3.612 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -5.111 -9.223 6.071 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -6.208 -7.871 5.703 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -6.873 -9.468 6.120 1.00 0.00 H new ATOM 812 N GLY A 55 -5.445 -11.293 2.751 1.00 0.00 N ATOM 813 CA GLY A 55 -5.133 -12.685 2.450 1.00 0.00 C ATOM 814 C GLY A 55 -4.333 -12.771 1.153 1.00 0.00 C ATOM 815 O GLY A 55 -3.121 -12.999 1.179 1.00 0.00 O ATOM 0 H GLY A 55 -5.407 -10.686 1.932 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.563 -13.124 3.269 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -6.054 -13.261 2.358 1.00 0.00 H new ATOM 819 N LYS A 56 -5.007 -12.607 0.009 1.00 0.00 N ATOM 820 CA LYS A 56 -4.321 -12.568 -1.273 1.00 0.00 C ATOM 821 C LYS A 56 -3.645 -11.212 -1.436 1.00 0.00 C ATOM 822 O LYS A 56 -2.461 -11.130 -1.739 1.00 0.00 O ATOM 823 CB LYS A 56 -5.290 -12.741 -2.453 1.00 0.00 C ATOM 824 CG LYS A 56 -5.769 -14.178 -2.687 1.00 0.00 C ATOM 825 CD LYS A 56 -6.636 -14.275 -3.958 1.00 0.00 C ATOM 826 CE LYS A 56 -5.850 -14.048 -5.264 1.00 0.00 C ATOM 827 NZ LYS A 56 -6.706 -14.208 -6.456 1.00 0.00 N ATOM 0 H LYS A 56 -6.020 -12.500 -0.048 1.00 0.00 H new ATOM 0 HA LYS A 56 -3.602 -13.387 -1.280 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -6.160 -12.106 -2.286 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -4.803 -12.383 -3.360 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -4.909 -14.841 -2.779 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -6.343 -14.518 -1.825 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -7.105 -15.258 -3.993 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -7.439 -13.541 -3.896 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -5.418 -13.047 -5.259 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -5.020 -14.753 -5.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -6.119 -14.165 -7.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -7.191 -15.127 -6.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -7.412 -13.445 -6.481 1.00 0.00 H new ATOM 841 N VAL A 57 -4.383 -10.133 -1.195 1.00 0.00 N ATOM 842 CA VAL A 57 -3.900 -8.824 -1.578 1.00 0.00 C ATOM 843 C VAL A 57 -2.851 -8.332 -0.583 1.00 0.00 C ATOM 844 O VAL A 57 -3.095 -8.287 0.622 1.00 0.00 O ATOM 845 CB VAL A 57 -5.088 -7.856 -1.658 1.00 0.00 C ATOM 846 CG1 VAL A 57 -4.614 -6.491 -2.177 1.00 0.00 C ATOM 847 CG2 VAL A 57 -6.252 -8.381 -2.511 1.00 0.00 C ATOM 0 H VAL A 57 -5.298 -10.143 -0.745 1.00 0.00 H new ATOM 0 HA VAL A 57 -3.423 -8.879 -2.557 1.00 0.00 H new ATOM 0 HB VAL A 57 -5.479 -7.755 -0.646 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -5.462 -5.808 -2.232 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.864 -6.084 -1.499 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.179 -6.610 -3.170 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -7.056 -7.645 -2.522 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -5.906 -8.557 -3.530 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -6.621 -9.315 -2.087 1.00 0.00 H new ATOM 857 N ILE A 58 -1.669 -7.988 -1.102 1.00 0.00 N ATOM 858 CA ILE A 58 -0.572 -7.450 -0.308 1.00 0.00 C ATOM 859 C ILE A 58 -0.767 -5.930 -0.352 1.00 0.00 C ATOM 860 O ILE A 58 -0.691 -5.348 -1.432 1.00 0.00 O ATOM 861 CB ILE A 58 0.780 -7.892 -0.911 1.00 0.00 C ATOM 862 CG1 ILE A 58 0.812 -9.387 -1.283 1.00 0.00 C ATOM 863 CG2 ILE A 58 1.975 -7.551 -0.010 1.00 0.00 C ATOM 864 CD1 ILE A 58 0.409 -10.352 -0.168 1.00 0.00 C ATOM 0 H ILE A 58 -1.449 -8.078 -2.094 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.567 -7.809 0.721 1.00 0.00 H new ATOM 0 HB ILE A 58 0.875 -7.315 -1.831 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.150 -9.546 -2.134 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.820 -9.640 -1.612 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.897 -7.886 -0.486 1.00 0.00 H new ATOM 0 HG22 ILE A 58 2.017 -6.473 0.146 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.861 -8.052 0.951 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.466 -11.377 -0.535 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.085 -10.232 0.679 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.611 -10.136 0.149 1.00 0.00 H new ATOM 876 N PHE A 59 -1.061 -5.291 0.785 1.00 0.00 N ATOM 877 CA PHE A 59 -1.325 -3.857 0.843 1.00 0.00 C ATOM 878 C PHE A 59 -0.135 -3.153 1.464 1.00 0.00 C ATOM 879 O PHE A 59 0.041 -3.151 2.687 1.00 0.00 O ATOM 880 CB PHE A 59 -2.580 -3.568 1.651 1.00 0.00 C ATOM 881 CG PHE A 59 -3.838 -4.083 1.001 1.00 0.00 C ATOM 882 CD1 PHE A 59 -4.313 -5.367 1.317 1.00 0.00 C ATOM 883 CD2 PHE A 59 -4.589 -3.239 0.162 1.00 0.00 C ATOM 884 CE1 PHE A 59 -5.587 -5.761 0.886 1.00 0.00 C ATOM 885 CE2 PHE A 59 -5.836 -3.661 -0.324 1.00 0.00 C ATOM 886 CZ PHE A 59 -6.342 -4.916 0.051 1.00 0.00 C ATOM 0 H PHE A 59 -1.122 -5.758 1.690 1.00 0.00 H new ATOM 0 HA PHE A 59 -1.483 -3.488 -0.170 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -2.479 -4.017 2.639 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -2.669 -2.492 1.798 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -3.699 -6.047 1.889 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -4.206 -2.266 -0.108 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -5.990 -6.714 1.195 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -6.405 -3.023 -0.984 1.00 0.00 H new ATOM 0 HZ PHE A 59 -7.312 -5.233 -0.302 1.00 0.00 H new ATOM 896 N LEU A 60 0.666 -2.548 0.594 1.00 0.00 N ATOM 897 CA LEU A 60 1.882 -1.860 0.961 1.00 0.00 C ATOM 898 C LEU A 60 1.725 -0.363 0.738 1.00 0.00 C ATOM 899 O LEU A 60 0.832 0.100 0.029 1.00 0.00 O ATOM 900 CB LEU A 60 3.028 -2.420 0.105 1.00 0.00 C ATOM 901 CG LEU A 60 3.212 -3.941 0.230 1.00 0.00 C ATOM 902 CD1 LEU A 60 4.448 -4.365 -0.573 1.00 0.00 C ATOM 903 CD2 LEU A 60 3.371 -4.394 1.685 1.00 0.00 C ATOM 0 H LEU A 60 0.477 -2.526 -0.408 1.00 0.00 H new ATOM 0 HA LEU A 60 2.101 -2.018 2.017 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.843 -2.171 -0.940 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.957 -1.927 0.391 1.00 0.00 H new ATOM 0 HG LEU A 60 2.313 -4.416 -0.162 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.584 -5.443 -0.489 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.311 -4.098 -1.621 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.329 -3.856 -0.181 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.498 -5.476 1.717 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.246 -3.913 2.122 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.483 -4.116 2.252 1.00 0.00 H new ATOM 915 N LYS A 61 2.624 0.399 1.346 1.00 0.00 N ATOM 916 CA LYS A 61 2.745 1.830 1.167 1.00 0.00 C ATOM 917 C LYS A 61 4.244 2.098 1.076 1.00 0.00 C ATOM 918 O LYS A 61 5.037 1.319 1.606 1.00 0.00 O ATOM 919 CB LYS A 61 2.045 2.560 2.321 1.00 0.00 C ATOM 920 CG LYS A 61 2.167 4.085 2.219 1.00 0.00 C ATOM 921 CD LYS A 61 1.444 4.746 3.396 1.00 0.00 C ATOM 922 CE LYS A 61 1.450 6.274 3.287 1.00 0.00 C ATOM 923 NZ LYS A 61 2.818 6.819 3.239 1.00 0.00 N ATOM 0 H LYS A 61 3.310 0.020 1.999 1.00 0.00 H new ATOM 0 HA LYS A 61 2.256 2.202 0.267 1.00 0.00 H new ATOM 0 HB2 LYS A 61 0.991 2.284 2.333 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.472 2.228 3.267 1.00 0.00 H new ATOM 0 HG2 LYS A 61 3.218 4.375 2.217 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.739 4.431 1.278 1.00 0.00 H new ATOM 0 HD2 LYS A 61 0.415 4.389 3.436 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.921 4.447 4.329 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.908 6.576 2.391 1.00 0.00 H new ATOM 0 HE3 LYS A 61 0.920 6.700 4.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 2.781 7.856 3.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.370 6.443 4.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 3.271 6.543 2.344 1.00 0.00 H new ATOM 937 N VAL A 62 4.638 3.144 0.353 1.00 0.00 N ATOM 938 CA VAL A 62 6.035 3.500 0.176 1.00 0.00 C ATOM 939 C VAL A 62 6.129 5.024 0.178 1.00 0.00 C ATOM 940 O VAL A 62 5.284 5.705 -0.412 1.00 0.00 O ATOM 941 CB VAL A 62 6.583 2.845 -1.106 1.00 0.00 C ATOM 942 CG1 VAL A 62 5.765 3.218 -2.338 1.00 0.00 C ATOM 943 CG2 VAL A 62 8.043 3.214 -1.396 1.00 0.00 C ATOM 0 H VAL A 62 3.990 3.769 -0.127 1.00 0.00 H new ATOM 0 HA VAL A 62 6.658 3.125 0.988 1.00 0.00 H new ATOM 0 HB VAL A 62 6.513 1.775 -0.912 1.00 0.00 H new ATOM 0 HG11 VAL A 62 6.189 2.733 -3.217 1.00 0.00 H new ATOM 0 HG12 VAL A 62 4.735 2.889 -2.204 1.00 0.00 H new ATOM 0 HG13 VAL A 62 5.786 4.299 -2.475 1.00 0.00 H new ATOM 0 HG21 VAL A 62 8.368 2.720 -2.312 1.00 0.00 H new ATOM 0 HG22 VAL A 62 8.128 4.294 -1.516 1.00 0.00 H new ATOM 0 HG23 VAL A 62 8.672 2.890 -0.567 1.00 0.00 H new ATOM 953 N ASP A 63 7.130 5.553 0.886 1.00 0.00 N ATOM 954 CA ASP A 63 7.345 6.986 0.962 1.00 0.00 C ATOM 955 C ASP A 63 8.228 7.399 -0.207 1.00 0.00 C ATOM 956 O ASP A 63 9.405 7.042 -0.242 1.00 0.00 O ATOM 957 CB ASP A 63 8.004 7.379 2.283 1.00 0.00 C ATOM 958 CG ASP A 63 8.454 8.836 2.240 1.00 0.00 C ATOM 959 OD1 ASP A 63 7.732 9.654 1.625 1.00 0.00 O ATOM 960 OD2 ASP A 63 9.551 9.103 2.769 1.00 0.00 O ATOM 0 H ASP A 63 7.804 5.000 1.415 1.00 0.00 H new ATOM 0 HA ASP A 63 6.384 7.497 0.913 1.00 0.00 H new ATOM 0 HB2 ASP A 63 7.303 7.232 3.104 1.00 0.00 H new ATOM 0 HB3 ASP A 63 8.860 6.733 2.476 1.00 0.00 H new ATOM 965 N VAL A 64 7.678 8.170 -1.143 1.00 0.00 N ATOM 966 CA VAL A 64 8.442 8.635 -2.293 1.00 0.00 C ATOM 967 C VAL A 64 9.600 9.538 -1.862 1.00 0.00 C ATOM 968 O VAL A 64 10.623 9.573 -2.542 1.00 0.00 O ATOM 969 CB VAL A 64 7.536 9.377 -3.289 1.00 0.00 C ATOM 970 CG1 VAL A 64 6.401 8.480 -3.792 1.00 0.00 C ATOM 971 CG2 VAL A 64 6.967 10.669 -2.701 1.00 0.00 C ATOM 0 H VAL A 64 6.708 8.484 -1.126 1.00 0.00 H new ATOM 0 HA VAL A 64 8.858 7.757 -2.786 1.00 0.00 H new ATOM 0 HB VAL A 64 8.167 9.646 -4.136 1.00 0.00 H new ATOM 0 HG11 VAL A 64 5.781 9.037 -4.494 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.821 7.608 -4.292 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.792 8.156 -2.948 1.00 0.00 H new ATOM 0 HG21 VAL A 64 6.334 11.158 -3.441 1.00 0.00 H new ATOM 0 HG22 VAL A 64 6.376 10.436 -1.815 1.00 0.00 H new ATOM 0 HG23 VAL A 64 7.785 11.335 -2.427 1.00 0.00 H new ATOM 981 N ASP A 65 9.446 10.274 -0.754 1.00 0.00 N ATOM 982 CA ASP A 65 10.474 11.200 -0.295 1.00 0.00 C ATOM 983 C ASP A 65 11.737 10.403 0.031 1.00 0.00 C ATOM 984 O ASP A 65 12.818 10.706 -0.470 1.00 0.00 O ATOM 985 CB ASP A 65 9.973 12.012 0.906 1.00 0.00 C ATOM 986 CG ASP A 65 8.698 12.771 0.564 1.00 0.00 C ATOM 987 OD1 ASP A 65 8.626 13.293 -0.571 1.00 0.00 O ATOM 988 OD2 ASP A 65 7.808 12.816 1.440 1.00 0.00 O ATOM 0 H ASP A 65 8.616 10.242 -0.162 1.00 0.00 H new ATOM 0 HA ASP A 65 10.710 11.921 -1.078 1.00 0.00 H new ATOM 0 HB2 ASP A 65 9.787 11.345 1.748 1.00 0.00 H new ATOM 0 HB3 ASP A 65 10.745 12.715 1.221 1.00 0.00 H new ATOM 993 N ALA A 66 11.593 9.372 0.867 1.00 0.00 N ATOM 994 CA ALA A 66 12.684 8.486 1.232 1.00 0.00 C ATOM 995 C ALA A 66 13.102 7.632 0.032 1.00 0.00 C ATOM 996 O ALA A 66 14.244 7.707 -0.421 1.00 0.00 O ATOM 997 CB ALA A 66 12.250 7.598 2.403 1.00 0.00 C ATOM 0 H ALA A 66 10.706 9.133 1.310 1.00 0.00 H new ATOM 0 HA ALA A 66 13.544 9.081 1.538 1.00 0.00 H new ATOM 0 HB1 ALA A 66 13.068 6.932 2.678 1.00 0.00 H new ATOM 0 HB2 ALA A 66 11.989 8.223 3.257 1.00 0.00 H new ATOM 0 HB3 ALA A 66 11.384 7.005 2.109 1.00 0.00 H new ATOM 1003 N VAL A 67 12.189 6.816 -0.502 1.00 0.00 N ATOM 1004 CA VAL A 67 12.500 5.889 -1.583 1.00 0.00 C ATOM 1005 C VAL A 67 12.422 6.605 -2.939 1.00 0.00 C ATOM 1006 O VAL A 67 11.697 6.193 -3.850 1.00 0.00 O ATOM 1007 CB VAL A 67 11.584 4.652 -1.502 1.00 0.00 C ATOM 1008 CG1 VAL A 67 12.216 3.516 -2.310 1.00 0.00 C ATOM 1009 CG2 VAL A 67 11.419 4.133 -0.069 1.00 0.00 C ATOM 0 H VAL A 67 11.217 6.783 -0.195 1.00 0.00 H new ATOM 0 HA VAL A 67 13.524 5.531 -1.477 1.00 0.00 H new ATOM 0 HB VAL A 67 10.609 4.953 -1.886 1.00 0.00 H new ATOM 0 HG11 VAL A 67 11.577 2.635 -2.260 1.00 0.00 H new ATOM 0 HG12 VAL A 67 12.326 3.826 -3.349 1.00 0.00 H new ATOM 0 HG13 VAL A 67 13.196 3.277 -1.897 1.00 0.00 H new ATOM 0 HG21 VAL A 67 10.764 3.261 -0.071 1.00 0.00 H new ATOM 0 HG22 VAL A 67 12.394 3.854 0.331 1.00 0.00 H new ATOM 0 HG23 VAL A 67 10.981 4.914 0.553 1.00 0.00 H new ATOM 1019 N ALA A 68 13.233 7.656 -3.082 1.00 0.00 N ATOM 1020 CA ALA A 68 13.301 8.472 -4.286 1.00 0.00 C ATOM 1021 C ALA A 68 13.563 7.608 -5.521 1.00 0.00 C ATOM 1022 O ALA A 68 12.875 7.749 -6.526 1.00 0.00 O ATOM 1023 CB ALA A 68 14.398 9.527 -4.117 1.00 0.00 C ATOM 0 H ALA A 68 13.870 7.965 -2.348 1.00 0.00 H new ATOM 0 HA ALA A 68 12.342 8.969 -4.434 1.00 0.00 H new ATOM 0 HB1 ALA A 68 14.454 10.141 -5.016 1.00 0.00 H new ATOM 0 HB2 ALA A 68 14.166 10.159 -3.259 1.00 0.00 H new ATOM 0 HB3 ALA A 68 15.356 9.033 -3.955 1.00 0.00 H new ATOM 1029 N ALA A 69 14.539 6.699 -5.434 1.00 0.00 N ATOM 1030 CA ALA A 69 14.938 5.822 -6.531 1.00 0.00 C ATOM 1031 C ALA A 69 13.746 5.055 -7.115 1.00 0.00 C ATOM 1032 O ALA A 69 13.489 5.112 -8.316 1.00 0.00 O ATOM 1033 CB ALA A 69 16.009 4.850 -6.028 1.00 0.00 C ATOM 0 H ALA A 69 15.081 6.552 -4.583 1.00 0.00 H new ATOM 0 HA ALA A 69 15.342 6.437 -7.335 1.00 0.00 H new ATOM 0 HB1 ALA A 69 16.313 4.191 -6.841 1.00 0.00 H new ATOM 0 HB2 ALA A 69 16.873 5.412 -5.674 1.00 0.00 H new ATOM 0 HB3 ALA A 69 15.604 4.254 -5.210 1.00 0.00 H new ATOM 1039 N VAL A 70 13.016 4.322 -6.271 1.00 0.00 N ATOM 1040 CA VAL A 70 11.875 3.537 -6.728 1.00 0.00 C ATOM 1041 C VAL A 70 10.796 4.484 -7.240 1.00 0.00 C ATOM 1042 O VAL A 70 10.209 4.237 -8.288 1.00 0.00 O ATOM 1043 CB VAL A 70 11.346 2.638 -5.601 1.00 0.00 C ATOM 1044 CG1 VAL A 70 10.203 1.725 -6.058 1.00 0.00 C ATOM 1045 CG2 VAL A 70 12.464 1.722 -5.094 1.00 0.00 C ATOM 0 H VAL A 70 13.197 4.258 -5.269 1.00 0.00 H new ATOM 0 HA VAL A 70 12.184 2.880 -7.541 1.00 0.00 H new ATOM 0 HB VAL A 70 10.982 3.311 -4.825 1.00 0.00 H new ATOM 0 HG11 VAL A 70 9.869 1.113 -5.220 1.00 0.00 H new ATOM 0 HG12 VAL A 70 9.373 2.333 -6.416 1.00 0.00 H new ATOM 0 HG13 VAL A 70 10.553 1.079 -6.863 1.00 0.00 H new ATOM 0 HG21 VAL A 70 12.080 1.088 -4.295 1.00 0.00 H new ATOM 0 HG22 VAL A 70 12.822 1.098 -5.913 1.00 0.00 H new ATOM 0 HG23 VAL A 70 13.286 2.328 -4.713 1.00 0.00 H new ATOM 1055 N ALA A 71 10.534 5.568 -6.506 1.00 0.00 N ATOM 1056 CA ALA A 71 9.516 6.534 -6.899 1.00 0.00 C ATOM 1057 C ALA A 71 9.763 7.081 -8.313 1.00 0.00 C ATOM 1058 O ALA A 71 8.857 7.082 -9.147 1.00 0.00 O ATOM 1059 CB ALA A 71 9.471 7.674 -5.884 1.00 0.00 C ATOM 0 H ALA A 71 11.016 5.795 -5.636 1.00 0.00 H new ATOM 0 HA ALA A 71 8.553 6.024 -6.915 1.00 0.00 H new ATOM 0 HB1 ALA A 71 8.709 8.395 -6.180 1.00 0.00 H new ATOM 0 HB2 ALA A 71 9.229 7.275 -4.899 1.00 0.00 H new ATOM 0 HB3 ALA A 71 10.442 8.167 -5.847 1.00 0.00 H new ATOM 1065 N GLU A 72 10.981 7.557 -8.594 1.00 0.00 N ATOM 1066 CA GLU A 72 11.296 8.105 -9.907 1.00 0.00 C ATOM 1067 C GLU A 72 11.318 6.981 -10.945 1.00 0.00 C ATOM 1068 O GLU A 72 10.763 7.151 -12.028 1.00 0.00 O ATOM 1069 CB GLU A 72 12.594 8.930 -9.867 1.00 0.00 C ATOM 1070 CG GLU A 72 13.878 8.121 -9.657 1.00 0.00 C ATOM 1071 CD GLU A 72 15.070 9.030 -9.382 1.00 0.00 C ATOM 1072 OE1 GLU A 72 15.538 9.660 -10.355 1.00 0.00 O ATOM 1073 OE2 GLU A 72 15.486 9.086 -8.204 1.00 0.00 O ATOM 0 H GLU A 72 11.756 7.572 -7.931 1.00 0.00 H new ATOM 0 HA GLU A 72 10.516 8.803 -10.209 1.00 0.00 H new ATOM 0 HB2 GLU A 72 12.682 9.484 -10.802 1.00 0.00 H new ATOM 0 HB3 GLU A 72 12.513 9.666 -9.067 1.00 0.00 H new ATOM 0 HG2 GLU A 72 13.744 7.433 -8.823 1.00 0.00 H new ATOM 0 HG3 GLU A 72 14.077 7.515 -10.541 1.00 0.00 H new ATOM 1080 N ALA A 73 11.905 5.819 -10.623 1.00 0.00 N ATOM 1081 CA ALA A 73 11.931 4.685 -11.545 1.00 0.00 C ATOM 1082 C ALA A 73 10.507 4.291 -11.953 1.00 0.00 C ATOM 1083 O ALA A 73 10.245 4.012 -13.119 1.00 0.00 O ATOM 1084 CB ALA A 73 12.652 3.503 -10.892 1.00 0.00 C ATOM 0 H ALA A 73 12.367 5.645 -9.730 1.00 0.00 H new ATOM 0 HA ALA A 73 12.473 4.974 -12.446 1.00 0.00 H new ATOM 0 HB1 ALA A 73 12.669 2.660 -11.583 1.00 0.00 H new ATOM 0 HB2 ALA A 73 13.674 3.791 -10.646 1.00 0.00 H new ATOM 0 HB3 ALA A 73 12.127 3.215 -9.981 1.00 0.00 H new ATOM 1090 N ALA A 74 9.581 4.288 -10.989 1.00 0.00 N ATOM 1091 CA ALA A 74 8.176 3.971 -11.203 1.00 0.00 C ATOM 1092 C ALA A 74 7.402 5.170 -11.780 1.00 0.00 C ATOM 1093 O ALA A 74 6.191 5.079 -11.967 1.00 0.00 O ATOM 1094 CB ALA A 74 7.579 3.498 -9.873 1.00 0.00 C ATOM 0 H ALA A 74 9.798 4.512 -10.018 1.00 0.00 H new ATOM 0 HA ALA A 74 8.092 3.175 -11.943 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.526 3.255 -10.013 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.113 2.612 -9.529 1.00 0.00 H new ATOM 0 HB3 ALA A 74 7.673 4.290 -9.130 1.00 0.00 H new ATOM 1100 N GLY A 75 8.077 6.292 -12.061 1.00 0.00 N ATOM 1101 CA GLY A 75 7.490 7.480 -12.661 1.00 0.00 C ATOM 1102 C GLY A 75 6.333 8.040 -11.841 1.00 0.00 C ATOM 1103 O GLY A 75 5.311 8.434 -12.399 1.00 0.00 O ATOM 0 H GLY A 75 9.074 6.393 -11.869 1.00 0.00 H new ATOM 0 HA2 GLY A 75 8.258 8.246 -12.769 1.00 0.00 H new ATOM 0 HA3 GLY A 75 7.137 7.240 -13.664 1.00 0.00 H new ATOM 1107 N ILE A 76 6.485 8.094 -10.516 1.00 0.00 N ATOM 1108 CA ILE A 76 5.428 8.611 -9.658 1.00 0.00 C ATOM 1109 C ILE A 76 5.373 10.135 -9.772 1.00 0.00 C ATOM 1110 O ILE A 76 6.410 10.795 -9.801 1.00 0.00 O ATOM 1111 CB ILE A 76 5.663 8.177 -8.205 1.00 0.00 C ATOM 1112 CG1 ILE A 76 5.759 6.649 -8.090 1.00 0.00 C ATOM 1113 CG2 ILE A 76 4.536 8.712 -7.314 1.00 0.00 C ATOM 1114 CD1 ILE A 76 4.505 5.869 -8.489 1.00 0.00 C ATOM 0 H ILE A 76 7.323 7.788 -10.022 1.00 0.00 H new ATOM 0 HA ILE A 76 4.470 8.203 -9.980 1.00 0.00 H new ATOM 0 HB ILE A 76 6.613 8.595 -7.871 1.00 0.00 H new ATOM 0 HG12 ILE A 76 6.588 6.309 -8.711 1.00 0.00 H new ATOM 0 HG13 ILE A 76 6.008 6.396 -7.059 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.708 8.401 -6.284 1.00 0.00 H new ATOM 0 HG22 ILE A 76 4.517 9.801 -7.366 1.00 0.00 H new ATOM 0 HG23 ILE A 76 3.581 8.315 -7.658 1.00 0.00 H new ATOM 0 HD11 ILE A 76 4.687 4.801 -8.368 1.00 0.00 H new ATOM 0 HD12 ILE A 76 3.672 6.169 -7.853 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.261 6.080 -9.530 1.00 0.00 H new ATOM 1126 N THR A 77 4.158 10.684 -9.815 1.00 0.00 N ATOM 1127 CA THR A 77 3.913 12.115 -9.942 1.00 0.00 C ATOM 1128 C THR A 77 2.744 12.533 -9.041 1.00 0.00 C ATOM 1129 O THR A 77 2.939 13.080 -7.959 1.00 0.00 O ATOM 1130 CB THR A 77 3.633 12.444 -11.420 1.00 0.00 C ATOM 1131 OG1 THR A 77 2.601 11.607 -11.912 1.00 0.00 O ATOM 1132 CG2 THR A 77 4.880 12.239 -12.288 1.00 0.00 C ATOM 0 H THR A 77 3.302 10.132 -9.761 1.00 0.00 H new ATOM 0 HA THR A 77 4.790 12.676 -9.619 1.00 0.00 H new ATOM 0 HB THR A 77 3.335 13.491 -11.472 1.00 0.00 H new ATOM 0 HG1 THR A 77 2.426 11.822 -12.852 1.00 0.00 H new ATOM 0 HG21 THR A 77 4.645 12.481 -13.325 1.00 0.00 H new ATOM 0 HG22 THR A 77 5.680 12.890 -11.936 1.00 0.00 H new ATOM 0 HG23 THR A 77 5.203 11.200 -12.222 1.00 0.00 H new ATOM 1140 N ALA A 78 1.518 12.274 -9.495 1.00 0.00 N ATOM 1141 CA ALA A 78 0.291 12.657 -8.811 1.00 0.00 C ATOM 1142 C ALA A 78 0.039 11.775 -7.584 1.00 0.00 C ATOM 1143 O ALA A 78 -0.827 10.902 -7.600 1.00 0.00 O ATOM 1144 CB ALA A 78 -0.866 12.590 -9.812 1.00 0.00 C ATOM 0 H ALA A 78 1.350 11.779 -10.371 1.00 0.00 H new ATOM 0 HA ALA A 78 0.380 13.677 -8.438 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.794 12.874 -9.315 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.672 13.274 -10.638 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.957 11.574 -10.196 1.00 0.00 H new ATOM 1150 N MET A 79 0.808 12.002 -6.517 1.00 0.00 N ATOM 1151 CA MET A 79 0.655 11.299 -5.247 1.00 0.00 C ATOM 1152 C MET A 79 -0.678 11.740 -4.612 1.00 0.00 C ATOM 1153 O MET A 79 -0.976 12.934 -4.660 1.00 0.00 O ATOM 1154 CB MET A 79 1.826 11.650 -4.316 1.00 0.00 C ATOM 1155 CG MET A 79 3.206 11.396 -4.944 1.00 0.00 C ATOM 1156 SD MET A 79 4.374 12.763 -4.719 1.00 0.00 S ATOM 1157 CE MET A 79 5.644 12.315 -5.925 1.00 0.00 C ATOM 0 H MET A 79 1.563 12.688 -6.513 1.00 0.00 H new ATOM 0 HA MET A 79 0.653 10.221 -5.407 1.00 0.00 H new ATOM 0 HB2 MET A 79 1.752 12.700 -4.032 1.00 0.00 H new ATOM 0 HB3 MET A 79 1.739 11.066 -3.400 1.00 0.00 H new ATOM 0 HG2 MET A 79 3.632 10.491 -4.510 1.00 0.00 H new ATOM 0 HG3 MET A 79 3.081 11.209 -6.011 1.00 0.00 H new ATOM 0 HE1 MET A 79 6.495 12.989 -5.824 1.00 0.00 H new ATOM 0 HE2 MET A 79 5.969 11.290 -5.747 1.00 0.00 H new ATOM 0 HE3 MET A 79 5.234 12.396 -6.932 1.00 0.00 H new ATOM 1167 N PRO A 80 -1.493 10.857 -4.006 1.00 0.00 N ATOM 1168 CA PRO A 80 -1.313 9.418 -3.861 1.00 0.00 C ATOM 1169 C PRO A 80 -1.309 8.693 -5.201 1.00 0.00 C ATOM 1170 O PRO A 80 -2.158 8.966 -6.041 1.00 0.00 O ATOM 1171 CB PRO A 80 -2.526 8.936 -3.062 1.00 0.00 C ATOM 1172 CG PRO A 80 -2.942 10.162 -2.259 1.00 0.00 C ATOM 1173 CD PRO A 80 -2.679 11.274 -3.273 1.00 0.00 C ATOM 0 HA PRO A 80 -0.356 9.212 -3.382 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -3.328 8.596 -3.718 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -2.270 8.100 -2.412 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -3.988 10.120 -1.954 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -2.350 10.282 -1.352 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -3.529 11.404 -3.943 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -2.517 12.230 -2.775 1.00 0.00 H new ATOM 1181 N THR A 81 -0.375 7.766 -5.404 1.00 0.00 N ATOM 1182 CA THR A 81 -0.285 6.984 -6.624 1.00 0.00 C ATOM 1183 C THR A 81 -0.293 5.504 -6.238 1.00 0.00 C ATOM 1184 O THR A 81 0.683 4.988 -5.695 1.00 0.00 O ATOM 1185 CB THR A 81 0.961 7.412 -7.405 1.00 0.00 C ATOM 1186 OG1 THR A 81 0.914 8.793 -7.715 1.00 0.00 O ATOM 1187 CG2 THR A 81 1.087 6.630 -8.713 1.00 0.00 C ATOM 0 H THR A 81 0.344 7.539 -4.717 1.00 0.00 H new ATOM 0 HA THR A 81 -1.134 7.154 -7.287 1.00 0.00 H new ATOM 0 HB THR A 81 1.822 7.204 -6.769 1.00 0.00 H new ATOM 0 HG1 THR A 81 0.029 9.149 -7.489 1.00 0.00 H new ATOM 0 HG21 THR A 81 1.980 6.955 -9.246 1.00 0.00 H new ATOM 0 HG22 THR A 81 1.162 5.565 -8.494 1.00 0.00 H new ATOM 0 HG23 THR A 81 0.209 6.812 -9.332 1.00 0.00 H new ATOM 1195 N PHE A 82 -1.404 4.821 -6.504 1.00 0.00 N ATOM 1196 CA PHE A 82 -1.587 3.416 -6.188 1.00 0.00 C ATOM 1197 C PHE A 82 -1.161 2.588 -7.392 1.00 0.00 C ATOM 1198 O PHE A 82 -1.713 2.777 -8.472 1.00 0.00 O ATOM 1199 CB PHE A 82 -3.063 3.165 -5.859 1.00 0.00 C ATOM 1200 CG PHE A 82 -3.504 3.826 -4.571 1.00 0.00 C ATOM 1201 CD1 PHE A 82 -3.289 3.173 -3.344 1.00 0.00 C ATOM 1202 CD2 PHE A 82 -4.011 5.141 -4.587 1.00 0.00 C ATOM 1203 CE1 PHE A 82 -3.544 3.847 -2.138 1.00 0.00 C ATOM 1204 CE2 PHE A 82 -4.254 5.814 -3.378 1.00 0.00 C ATOM 1205 CZ PHE A 82 -3.964 5.184 -2.156 1.00 0.00 C ATOM 0 H PHE A 82 -2.216 5.242 -6.955 1.00 0.00 H new ATOM 0 HA PHE A 82 -0.982 3.134 -5.326 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -3.680 3.533 -6.679 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -3.236 2.091 -5.787 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -2.928 2.155 -3.329 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -4.213 5.631 -5.528 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -3.416 3.334 -1.196 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -4.663 6.814 -3.388 1.00 0.00 H new ATOM 0 HZ PHE A 82 -4.065 5.730 -1.230 1.00 0.00 H new ATOM 1215 N HIS A 83 -0.184 1.693 -7.236 1.00 0.00 N ATOM 1216 CA HIS A 83 0.242 0.787 -8.300 1.00 0.00 C ATOM 1217 C HIS A 83 -0.166 -0.629 -7.916 1.00 0.00 C ATOM 1218 O HIS A 83 -0.073 -0.991 -6.742 1.00 0.00 O ATOM 1219 CB HIS A 83 1.754 0.841 -8.496 1.00 0.00 C ATOM 1220 CG HIS A 83 2.277 1.983 -9.323 1.00 0.00 C ATOM 1221 ND1 HIS A 83 3.535 1.913 -9.923 1.00 0.00 N ATOM 1222 CD2 HIS A 83 1.694 3.177 -9.652 1.00 0.00 C ATOM 1223 CE1 HIS A 83 3.648 3.059 -10.604 1.00 0.00 C ATOM 1224 NE2 HIS A 83 2.570 3.848 -10.477 1.00 0.00 N ATOM 0 H HIS A 83 0.334 1.577 -6.365 1.00 0.00 H new ATOM 0 HA HIS A 83 -0.231 1.088 -9.235 1.00 0.00 H new ATOM 0 HB2 HIS A 83 2.225 0.885 -7.514 1.00 0.00 H new ATOM 0 HB3 HIS A 83 2.073 -0.092 -8.961 1.00 0.00 H new ATOM 0 HD2 HIS A 83 0.726 3.528 -9.325 1.00 0.00 H new ATOM 0 HE1 HIS A 83 4.514 3.321 -11.193 1.00 0.00 H new ATOM 0 HE2 HIS A 83 2.428 4.762 -10.906 1.00 0.00 H new ATOM 1232 N VAL A 84 -0.602 -1.426 -8.896 1.00 0.00 N ATOM 1233 CA VAL A 84 -0.986 -2.811 -8.692 1.00 0.00 C ATOM 1234 C VAL A 84 0.049 -3.703 -9.372 1.00 0.00 C ATOM 1235 O VAL A 84 -0.026 -3.941 -10.579 1.00 0.00 O ATOM 1236 CB VAL A 84 -2.394 -3.094 -9.253 1.00 0.00 C ATOM 1237 CG1 VAL A 84 -2.863 -4.431 -8.668 1.00 0.00 C ATOM 1238 CG2 VAL A 84 -3.426 -2.013 -8.915 1.00 0.00 C ATOM 0 H VAL A 84 -0.697 -1.116 -9.863 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.019 -3.020 -7.623 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.319 -3.113 -10.340 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.859 -4.664 -9.045 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -2.171 -5.220 -8.962 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.893 -4.362 -7.581 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -4.391 -2.284 -9.344 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.522 -1.927 -7.833 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -3.101 -1.058 -9.327 1.00 0.00 H new ATOM 1248 N TYR A 85 1.027 -4.194 -8.610 1.00 0.00 N ATOM 1249 CA TYR A 85 2.001 -5.143 -9.123 1.00 0.00 C ATOM 1250 C TYR A 85 1.396 -6.525 -8.910 1.00 0.00 C ATOM 1251 O TYR A 85 1.315 -6.964 -7.770 1.00 0.00 O ATOM 1252 CB TYR A 85 3.352 -4.980 -8.409 1.00 0.00 C ATOM 1253 CG TYR A 85 4.068 -3.694 -8.764 1.00 0.00 C ATOM 1254 CD1 TYR A 85 3.791 -2.521 -8.041 1.00 0.00 C ATOM 1255 CD2 TYR A 85 4.962 -3.649 -9.849 1.00 0.00 C ATOM 1256 CE1 TYR A 85 4.358 -1.300 -8.439 1.00 0.00 C ATOM 1257 CE2 TYR A 85 5.517 -2.421 -10.254 1.00 0.00 C ATOM 1258 CZ TYR A 85 5.165 -1.237 -9.585 1.00 0.00 C ATOM 1259 OH TYR A 85 5.541 -0.030 -10.092 1.00 0.00 O ATOM 0 H TYR A 85 1.161 -3.945 -7.630 1.00 0.00 H new ATOM 0 HA TYR A 85 2.209 -4.979 -10.180 1.00 0.00 H new ATOM 0 HB2 TYR A 85 3.191 -5.012 -7.331 1.00 0.00 H new ATOM 0 HB3 TYR A 85 3.992 -5.825 -8.661 1.00 0.00 H new ATOM 0 HD1 TYR A 85 3.142 -2.559 -7.179 1.00 0.00 H new ATOM 0 HD2 TYR A 85 5.223 -4.558 -10.372 1.00 0.00 H new ATOM 0 HE1 TYR A 85 4.172 -0.407 -7.861 1.00 0.00 H new ATOM 0 HE2 TYR A 85 6.213 -2.389 -11.079 1.00 0.00 H new ATOM 0 HH TYR A 85 4.876 0.648 -9.851 1.00 0.00 H new ATOM 1269 N LYS A 86 0.904 -7.203 -9.949 1.00 0.00 N ATOM 1270 CA LYS A 86 0.371 -8.546 -9.756 1.00 0.00 C ATOM 1271 C LYS A 86 1.572 -9.483 -9.770 1.00 0.00 C ATOM 1272 O LYS A 86 2.294 -9.520 -10.765 1.00 0.00 O ATOM 1273 CB LYS A 86 -0.703 -8.893 -10.799 1.00 0.00 C ATOM 1274 CG LYS A 86 -1.520 -10.115 -10.338 1.00 0.00 C ATOM 1275 CD LYS A 86 -2.747 -10.336 -11.235 1.00 0.00 C ATOM 1276 CE LYS A 86 -3.577 -11.558 -10.808 1.00 0.00 C ATOM 1277 NZ LYS A 86 -4.205 -11.391 -9.483 1.00 0.00 N ATOM 0 H LYS A 86 0.865 -6.854 -10.906 1.00 0.00 H new ATOM 0 HA LYS A 86 -0.156 -8.639 -8.806 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -1.365 -8.040 -10.948 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -0.233 -9.103 -11.760 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -0.890 -11.004 -10.355 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -1.842 -9.972 -9.306 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -3.377 -9.447 -11.209 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -2.420 -10.466 -12.267 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -4.353 -11.742 -11.551 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -2.935 -12.439 -10.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -4.765 -12.237 -9.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -3.466 -11.260 -8.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -4.827 -10.558 -9.496 1.00 0.00 H new ATOM 1291 N ASP A 87 1.818 -10.157 -8.639 1.00 0.00 N ATOM 1292 CA ASP A 87 2.925 -11.064 -8.335 1.00 0.00 C ATOM 1293 C ASP A 87 4.245 -10.294 -8.286 1.00 0.00 C ATOM 1294 O ASP A 87 4.922 -10.266 -7.262 1.00 0.00 O ATOM 1295 CB ASP A 87 2.975 -12.245 -9.317 1.00 0.00 C ATOM 1296 CG ASP A 87 1.864 -13.252 -9.039 1.00 0.00 C ATOM 1297 OD1 ASP A 87 0.713 -12.811 -8.817 1.00 0.00 O ATOM 1298 OD2 ASP A 87 2.183 -14.460 -9.030 1.00 0.00 O ATOM 0 H ASP A 87 1.187 -10.071 -7.842 1.00 0.00 H new ATOM 0 HA ASP A 87 2.756 -11.494 -7.348 1.00 0.00 H new ATOM 0 HB2 ASP A 87 2.884 -11.874 -10.338 1.00 0.00 H new ATOM 0 HB3 ASP A 87 3.943 -12.740 -9.243 1.00 0.00 H new ATOM 1303 N GLY A 88 4.602 -9.659 -9.396 1.00 0.00 N ATOM 1304 CA GLY A 88 5.799 -8.846 -9.523 1.00 0.00 C ATOM 1305 C GLY A 88 5.846 -8.038 -10.822 1.00 0.00 C ATOM 1306 O GLY A 88 6.935 -7.658 -11.245 1.00 0.00 O ATOM 0 H GLY A 88 4.051 -9.698 -10.253 1.00 0.00 H new ATOM 0 HA2 GLY A 88 5.858 -8.163 -8.676 1.00 0.00 H new ATOM 0 HA3 GLY A 88 6.676 -9.492 -9.473 1.00 0.00 H new ATOM 1310 N VAL A 89 4.702 -7.757 -11.460 1.00 0.00 N ATOM 1311 CA VAL A 89 4.654 -6.954 -12.682 1.00 0.00 C ATOM 1312 C VAL A 89 3.487 -5.972 -12.569 1.00 0.00 C ATOM 1313 O VAL A 89 2.409 -6.354 -12.116 1.00 0.00 O ATOM 1314 CB VAL A 89 4.561 -7.869 -13.920 1.00 0.00 C ATOM 1315 CG1 VAL A 89 3.390 -8.859 -13.876 1.00 0.00 C ATOM 1316 CG2 VAL A 89 4.488 -7.042 -15.211 1.00 0.00 C ATOM 0 H VAL A 89 3.788 -8.080 -11.142 1.00 0.00 H new ATOM 0 HA VAL A 89 5.569 -6.375 -12.805 1.00 0.00 H new ATOM 0 HB VAL A 89 5.475 -8.462 -13.908 1.00 0.00 H new ATOM 0 HG11 VAL A 89 3.393 -9.466 -14.781 1.00 0.00 H new ATOM 0 HG12 VAL A 89 3.493 -9.506 -13.005 1.00 0.00 H new ATOM 0 HG13 VAL A 89 2.451 -8.309 -13.811 1.00 0.00 H new ATOM 0 HG21 VAL A 89 4.423 -7.711 -16.069 1.00 0.00 H new ATOM 0 HG22 VAL A 89 3.607 -6.401 -15.183 1.00 0.00 H new ATOM 0 HG23 VAL A 89 5.382 -6.425 -15.299 1.00 0.00 H new ATOM 1326 N LYS A 90 3.711 -4.703 -12.935 1.00 0.00 N ATOM 1327 CA LYS A 90 2.702 -3.655 -12.854 1.00 0.00 C ATOM 1328 C LYS A 90 1.536 -4.000 -13.782 1.00 0.00 C ATOM 1329 O LYS A 90 1.599 -3.767 -14.986 1.00 0.00 O ATOM 1330 CB LYS A 90 3.315 -2.289 -13.199 1.00 0.00 C ATOM 1331 CG LYS A 90 2.387 -1.162 -12.716 1.00 0.00 C ATOM 1332 CD LYS A 90 2.952 0.238 -13.002 1.00 0.00 C ATOM 1333 CE LYS A 90 3.079 0.558 -14.497 1.00 0.00 C ATOM 1334 NZ LYS A 90 1.800 0.399 -15.211 1.00 0.00 N ATOM 0 H LYS A 90 4.607 -4.379 -13.298 1.00 0.00 H new ATOM 0 HA LYS A 90 2.323 -3.591 -11.834 1.00 0.00 H new ATOM 0 HB2 LYS A 90 4.294 -2.191 -12.731 1.00 0.00 H new ATOM 0 HB3 LYS A 90 3.467 -2.210 -14.275 1.00 0.00 H new ATOM 0 HG2 LYS A 90 1.417 -1.263 -13.202 1.00 0.00 H new ATOM 0 HG3 LYS A 90 2.220 -1.269 -11.644 1.00 0.00 H new ATOM 0 HD2 LYS A 90 2.308 0.983 -12.533 1.00 0.00 H new ATOM 0 HD3 LYS A 90 3.933 0.326 -12.536 1.00 0.00 H new ATOM 0 HE2 LYS A 90 3.436 1.580 -14.619 1.00 0.00 H new ATOM 0 HE3 LYS A 90 3.827 -0.097 -14.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 1.913 0.706 -16.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 1.513 -0.600 -15.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 1.070 0.979 -14.749 1.00 0.00 H new ATOM 1348 N ALA A 91 0.471 -4.561 -13.212 1.00 0.00 N ATOM 1349 CA ALA A 91 -0.721 -4.940 -13.944 1.00 0.00 C ATOM 1350 C ALA A 91 -1.597 -3.718 -14.191 1.00 0.00 C ATOM 1351 O ALA A 91 -2.283 -3.645 -15.207 1.00 0.00 O ATOM 1352 CB ALA A 91 -1.484 -6.000 -13.145 1.00 0.00 C ATOM 0 H ALA A 91 0.418 -4.765 -12.214 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.440 -5.355 -14.912 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -2.382 -6.290 -13.690 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -0.849 -6.874 -13.001 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -1.765 -5.592 -12.174 1.00 0.00 H new ATOM 1358 N ASP A 92 -1.592 -2.768 -13.251 1.00 0.00 N ATOM 1359 CA ASP A 92 -2.419 -1.571 -13.318 1.00 0.00 C ATOM 1360 C ASP A 92 -1.855 -0.520 -12.361 1.00 0.00 C ATOM 1361 O ASP A 92 -0.912 -0.810 -11.620 1.00 0.00 O ATOM 1362 CB ASP A 92 -3.851 -1.978 -12.940 1.00 0.00 C ATOM 1363 CG ASP A 92 -4.951 -1.054 -13.439 1.00 0.00 C ATOM 1364 OD1 ASP A 92 -4.638 0.097 -13.809 1.00 0.00 O ATOM 1365 OD2 ASP A 92 -6.103 -1.542 -13.437 1.00 0.00 O ATOM 0 H ASP A 92 -1.007 -2.814 -12.417 1.00 0.00 H new ATOM 0 HA ASP A 92 -2.424 -1.136 -14.317 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -4.039 -2.979 -13.327 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -3.917 -2.039 -11.854 1.00 0.00 H new ATOM 1370 N ASP A 93 -2.418 0.688 -12.364 1.00 0.00 N ATOM 1371 CA ASP A 93 -2.038 1.789 -11.499 1.00 0.00 C ATOM 1372 C ASP A 93 -3.189 2.785 -11.465 1.00 0.00 C ATOM 1373 O ASP A 93 -4.161 2.647 -12.205 1.00 0.00 O ATOM 1374 CB ASP A 93 -0.737 2.461 -11.955 1.00 0.00 C ATOM 1375 CG ASP A 93 -0.775 2.924 -13.404 1.00 0.00 C ATOM 1376 OD1 ASP A 93 -1.308 4.031 -13.630 1.00 0.00 O ATOM 1377 OD2 ASP A 93 -0.246 2.173 -14.253 1.00 0.00 O ATOM 0 H ASP A 93 -3.181 0.929 -12.997 1.00 0.00 H new ATOM 0 HA ASP A 93 -1.843 1.406 -10.497 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -0.534 3.318 -11.312 1.00 0.00 H new ATOM 0 HB3 ASP A 93 0.090 1.762 -11.826 1.00 0.00 H new ATOM 1382 N LEU A 94 -3.074 3.780 -10.592 1.00 0.00 N ATOM 1383 CA LEU A 94 -4.104 4.767 -10.329 1.00 0.00 C ATOM 1384 C LEU A 94 -3.479 5.935 -9.566 1.00 0.00 C ATOM 1385 O LEU A 94 -2.519 5.736 -8.825 1.00 0.00 O ATOM 1386 CB LEU A 94 -5.200 4.053 -9.524 1.00 0.00 C ATOM 1387 CG LEU A 94 -6.229 4.962 -8.840 1.00 0.00 C ATOM 1388 CD1 LEU A 94 -7.085 5.653 -9.905 1.00 0.00 C ATOM 1389 CD2 LEU A 94 -7.116 4.107 -7.930 1.00 0.00 C ATOM 0 H LEU A 94 -2.233 3.922 -10.033 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.542 5.179 -11.238 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.731 3.374 -10.192 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -4.722 3.439 -8.761 1.00 0.00 H new ATOM 0 HG LEU A 94 -5.721 5.722 -8.246 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.817 6.299 -9.421 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -6.445 6.251 -10.554 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -7.603 4.901 -10.500 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -7.852 4.743 -7.438 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -7.629 3.353 -8.526 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.499 3.616 -7.177 1.00 0.00 H new ATOM 1401 N VAL A 95 -4.014 7.149 -9.735 1.00 0.00 N ATOM 1402 CA VAL A 95 -3.536 8.367 -9.099 1.00 0.00 C ATOM 1403 C VAL A 95 -4.673 9.089 -8.372 1.00 0.00 C ATOM 1404 O VAL A 95 -5.849 8.892 -8.690 1.00 0.00 O ATOM 1405 CB VAL A 95 -2.905 9.292 -10.155 1.00 0.00 C ATOM 1406 CG1 VAL A 95 -1.572 8.726 -10.657 1.00 0.00 C ATOM 1407 CG2 VAL A 95 -3.833 9.557 -11.350 1.00 0.00 C ATOM 0 H VAL A 95 -4.819 7.309 -10.340 1.00 0.00 H new ATOM 0 HA VAL A 95 -2.782 8.098 -8.360 1.00 0.00 H new ATOM 0 HB VAL A 95 -2.733 10.245 -9.654 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.148 9.399 -11.402 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -0.880 8.629 -9.821 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -1.738 7.747 -11.106 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -3.333 10.215 -12.060 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -4.076 8.613 -11.839 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -4.750 10.031 -11.000 1.00 0.00 H new ATOM 1417 N GLY A 96 -4.305 9.939 -7.409 1.00 0.00 N ATOM 1418 CA GLY A 96 -5.219 10.777 -6.658 1.00 0.00 C ATOM 1419 C GLY A 96 -5.931 9.997 -5.558 1.00 0.00 C ATOM 1420 O GLY A 96 -5.814 8.776 -5.454 1.00 0.00 O ATOM 0 H GLY A 96 -3.332 10.060 -7.129 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -4.670 11.608 -6.216 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -5.957 11.206 -7.335 1.00 0.00 H new ATOM 1424 N ALA A 97 -6.718 10.707 -4.745 1.00 0.00 N ATOM 1425 CA ALA A 97 -7.496 10.127 -3.652 1.00 0.00 C ATOM 1426 C ALA A 97 -8.766 9.459 -4.191 1.00 0.00 C ATOM 1427 O ALA A 97 -9.845 9.575 -3.611 1.00 0.00 O ATOM 1428 CB ALA A 97 -7.842 11.250 -2.671 1.00 0.00 C ATOM 0 H ALA A 97 -6.833 11.717 -4.831 1.00 0.00 H new ATOM 0 HA ALA A 97 -6.917 9.356 -3.143 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -8.424 10.844 -1.844 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -6.923 11.692 -2.286 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -8.425 12.014 -3.184 1.00 0.00 H new ATOM 1434 N SER A 98 -8.636 8.730 -5.296 1.00 0.00 N ATOM 1435 CA SER A 98 -9.713 8.105 -6.038 1.00 0.00 C ATOM 1436 C SER A 98 -10.168 6.815 -5.354 1.00 0.00 C ATOM 1437 O SER A 98 -10.184 5.763 -5.987 1.00 0.00 O ATOM 1438 CB SER A 98 -9.162 7.850 -7.445 1.00 0.00 C ATOM 1439 OG SER A 98 -8.528 9.025 -7.926 1.00 0.00 O ATOM 0 H SER A 98 -7.724 8.553 -5.716 1.00 0.00 H new ATOM 0 HA SER A 98 -10.597 8.741 -6.083 1.00 0.00 H new ATOM 0 HB2 SER A 98 -8.452 7.023 -7.425 1.00 0.00 H new ATOM 0 HB3 SER A 98 -9.970 7.559 -8.116 1.00 0.00 H new ATOM 0 HG SER A 98 -7.591 8.828 -8.137 1.00 0.00 H new ATOM 1445 N GLN A 99 -10.546 6.892 -4.072 1.00 0.00 N ATOM 1446 CA GLN A 99 -10.913 5.740 -3.250 1.00 0.00 C ATOM 1447 C GLN A 99 -11.904 4.791 -3.948 1.00 0.00 C ATOM 1448 O GLN A 99 -11.764 3.577 -3.831 1.00 0.00 O ATOM 1449 CB GLN A 99 -11.390 6.187 -1.851 1.00 0.00 C ATOM 1450 CG GLN A 99 -12.246 7.460 -1.750 1.00 0.00 C ATOM 1451 CD GLN A 99 -13.560 7.354 -2.509 1.00 0.00 C ATOM 1452 OE1 GLN A 99 -13.652 7.763 -3.662 1.00 0.00 O ATOM 1453 NE2 GLN A 99 -14.580 6.775 -1.884 1.00 0.00 N ATOM 0 H GLN A 99 -10.605 7.778 -3.570 1.00 0.00 H new ATOM 0 HA GLN A 99 -10.010 5.147 -3.109 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -11.960 5.366 -1.415 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -10.507 6.328 -1.227 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -12.455 7.669 -0.701 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -11.677 8.306 -2.136 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -14.470 6.446 -0.925 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -15.473 6.660 -2.364 1.00 0.00 H new ATOM 1462 N ASP A 100 -12.901 5.309 -4.670 1.00 0.00 N ATOM 1463 CA ASP A 100 -13.865 4.477 -5.383 1.00 0.00 C ATOM 1464 C ASP A 100 -13.149 3.605 -6.418 1.00 0.00 C ATOM 1465 O ASP A 100 -13.296 2.381 -6.439 1.00 0.00 O ATOM 1466 CB ASP A 100 -14.910 5.372 -6.055 1.00 0.00 C ATOM 1467 CG ASP A 100 -15.906 4.530 -6.840 1.00 0.00 C ATOM 1468 OD1 ASP A 100 -16.821 3.984 -6.187 1.00 0.00 O ATOM 1469 OD2 ASP A 100 -15.724 4.439 -8.073 1.00 0.00 O ATOM 0 H ASP A 100 -13.060 6.311 -4.775 1.00 0.00 H new ATOM 0 HA ASP A 100 -14.368 3.817 -4.676 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -15.435 5.958 -5.301 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -14.417 6.079 -6.722 1.00 0.00 H new ATOM 1474 N LYS A 101 -12.341 4.247 -7.263 1.00 0.00 N ATOM 1475 CA LYS A 101 -11.587 3.554 -8.293 1.00 0.00 C ATOM 1476 C LYS A 101 -10.589 2.605 -7.626 1.00 0.00 C ATOM 1477 O LYS A 101 -10.375 1.499 -8.113 1.00 0.00 O ATOM 1478 CB LYS A 101 -10.905 4.584 -9.203 1.00 0.00 C ATOM 1479 CG LYS A 101 -10.217 3.978 -10.436 1.00 0.00 C ATOM 1480 CD LYS A 101 -11.174 3.190 -11.342 1.00 0.00 C ATOM 1481 CE LYS A 101 -10.478 2.719 -12.626 1.00 0.00 C ATOM 1482 NZ LYS A 101 -10.087 3.841 -13.498 1.00 0.00 N ATOM 0 H LYS A 101 -12.195 5.256 -7.248 1.00 0.00 H new ATOM 0 HA LYS A 101 -12.244 2.953 -8.921 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -11.649 5.308 -9.535 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -10.165 5.133 -8.621 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -9.756 4.778 -11.015 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -9.414 3.318 -10.107 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -11.561 2.327 -10.800 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -12.029 3.815 -11.599 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -9.592 2.140 -12.364 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -11.144 2.052 -13.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -9.826 3.477 -14.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -10.885 4.502 -13.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -9.274 4.338 -13.081 1.00 0.00 H new ATOM 1496 N LEU A 102 -9.992 3.027 -6.508 1.00 0.00 N ATOM 1497 CA LEU A 102 -9.071 2.222 -5.716 1.00 0.00 C ATOM 1498 C LEU A 102 -9.773 0.902 -5.380 1.00 0.00 C ATOM 1499 O LEU A 102 -9.296 -0.164 -5.763 1.00 0.00 O ATOM 1500 CB LEU A 102 -8.662 3.010 -4.455 1.00 0.00 C ATOM 1501 CG LEU A 102 -7.253 2.745 -3.904 1.00 0.00 C ATOM 1502 CD1 LEU A 102 -7.110 3.533 -2.595 1.00 0.00 C ATOM 1503 CD2 LEU A 102 -6.968 1.268 -3.625 1.00 0.00 C ATOM 0 H LEU A 102 -10.142 3.960 -6.123 1.00 0.00 H new ATOM 0 HA LEU A 102 -8.156 1.998 -6.264 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -8.747 4.074 -4.676 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -9.383 2.790 -3.667 1.00 0.00 H new ATOM 0 HG LEU A 102 -6.537 3.059 -4.664 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -6.118 3.366 -2.176 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -7.246 4.596 -2.794 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -7.865 3.197 -1.884 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -5.955 1.160 -3.238 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -7.679 0.893 -2.889 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -7.067 0.698 -4.549 1.00 0.00 H new ATOM 1515 N LYS A 103 -10.934 0.973 -4.717 1.00 0.00 N ATOM 1516 CA LYS A 103 -11.718 -0.200 -4.364 1.00 0.00 C ATOM 1517 C LYS A 103 -11.993 -1.060 -5.599 1.00 0.00 C ATOM 1518 O LYS A 103 -11.757 -2.268 -5.566 1.00 0.00 O ATOM 1519 CB LYS A 103 -13.026 0.239 -3.693 1.00 0.00 C ATOM 1520 CG LYS A 103 -12.776 0.755 -2.271 1.00 0.00 C ATOM 1521 CD LYS A 103 -14.080 0.998 -1.496 1.00 0.00 C ATOM 1522 CE LYS A 103 -14.916 2.154 -2.054 1.00 0.00 C ATOM 1523 NZ LYS A 103 -14.177 3.427 -2.010 1.00 0.00 N ATOM 0 H LYS A 103 -11.351 1.853 -4.413 1.00 0.00 H new ATOM 0 HA LYS A 103 -11.151 -0.810 -3.660 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -13.498 1.021 -4.288 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -13.720 -0.601 -3.661 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -12.164 0.034 -1.729 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -12.207 1.684 -2.320 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -14.678 0.087 -1.512 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -13.840 1.204 -0.453 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -15.202 1.934 -3.083 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -15.838 2.248 -1.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -14.760 4.181 -2.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -13.955 3.666 -1.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -13.293 3.334 -2.550 1.00 0.00 H new ATOM 1537 N ALA A 104 -12.480 -0.443 -6.682 1.00 0.00 N ATOM 1538 CA ALA A 104 -12.773 -1.160 -7.917 1.00 0.00 C ATOM 1539 C ALA A 104 -11.541 -1.925 -8.418 1.00 0.00 C ATOM 1540 O ALA A 104 -11.643 -3.100 -8.773 1.00 0.00 O ATOM 1541 CB ALA A 104 -13.274 -0.176 -8.978 1.00 0.00 C ATOM 0 H ALA A 104 -12.679 0.557 -6.722 1.00 0.00 H new ATOM 0 HA ALA A 104 -13.554 -1.894 -7.718 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -13.492 -0.715 -9.900 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -14.180 0.314 -8.621 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -12.507 0.574 -9.169 1.00 0.00 H new ATOM 1547 N LEU A 105 -10.375 -1.277 -8.449 1.00 0.00 N ATOM 1548 CA LEU A 105 -9.147 -1.918 -8.896 1.00 0.00 C ATOM 1549 C LEU A 105 -8.770 -3.062 -7.958 1.00 0.00 C ATOM 1550 O LEU A 105 -8.445 -4.150 -8.429 1.00 0.00 O ATOM 1551 CB LEU A 105 -7.999 -0.906 -9.005 1.00 0.00 C ATOM 1552 CG LEU A 105 -8.120 0.072 -10.187 1.00 0.00 C ATOM 1553 CD1 LEU A 105 -6.785 0.803 -10.347 1.00 0.00 C ATOM 1554 CD2 LEU A 105 -8.462 -0.627 -11.509 1.00 0.00 C ATOM 0 H LEU A 105 -10.260 -0.303 -8.167 1.00 0.00 H new ATOM 0 HA LEU A 105 -9.324 -2.328 -9.890 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -7.948 -0.333 -8.079 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -7.059 -1.450 -9.095 1.00 0.00 H new ATOM 0 HG LEU A 105 -8.936 0.760 -9.965 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -6.850 1.502 -11.181 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -6.558 1.350 -9.432 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -5.994 0.078 -10.542 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -8.534 0.115 -12.305 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -7.680 -1.346 -11.753 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -9.415 -1.146 -11.410 1.00 0.00 H new ATOM 1566 N VAL A 106 -8.797 -2.849 -6.640 1.00 0.00 N ATOM 1567 CA VAL A 106 -8.463 -3.932 -5.722 1.00 0.00 C ATOM 1568 C VAL A 106 -9.382 -5.118 -6.001 1.00 0.00 C ATOM 1569 O VAL A 106 -8.905 -6.238 -6.150 1.00 0.00 O ATOM 1570 CB VAL A 106 -8.546 -3.478 -4.259 1.00 0.00 C ATOM 1571 CG1 VAL A 106 -8.196 -4.641 -3.324 1.00 0.00 C ATOM 1572 CG2 VAL A 106 -7.518 -2.376 -4.004 1.00 0.00 C ATOM 0 H VAL A 106 -9.040 -1.963 -6.197 1.00 0.00 H new ATOM 0 HA VAL A 106 -7.430 -4.237 -5.887 1.00 0.00 H new ATOM 0 HB VAL A 106 -9.560 -3.124 -4.071 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -8.258 -4.307 -2.288 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -8.897 -5.460 -3.484 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -7.183 -4.985 -3.534 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -7.579 -2.055 -2.964 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -6.518 -2.757 -4.208 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -7.723 -1.528 -4.658 1.00 0.00 H new ATOM 1582 N ALA A 107 -10.685 -4.866 -6.104 1.00 0.00 N ATOM 1583 CA ALA A 107 -11.663 -5.908 -6.407 1.00 0.00 C ATOM 1584 C ALA A 107 -11.261 -6.654 -7.684 1.00 0.00 C ATOM 1585 O ALA A 107 -11.083 -7.872 -7.660 1.00 0.00 O ATOM 1586 CB ALA A 107 -13.063 -5.298 -6.534 1.00 0.00 C ATOM 0 H ALA A 107 -11.091 -3.939 -5.980 1.00 0.00 H new ATOM 0 HA ALA A 107 -11.684 -6.629 -5.589 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -13.783 -6.084 -6.760 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -13.336 -4.815 -5.596 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -13.067 -4.561 -7.337 1.00 0.00 H new ATOM 1592 N LYS A 108 -11.095 -5.915 -8.786 1.00 0.00 N ATOM 1593 CA LYS A 108 -10.684 -6.435 -10.086 1.00 0.00 C ATOM 1594 C LYS A 108 -9.487 -7.369 -9.949 1.00 0.00 C ATOM 1595 O LYS A 108 -9.556 -8.554 -10.263 1.00 0.00 O ATOM 1596 CB LYS A 108 -10.330 -5.237 -10.989 1.00 0.00 C ATOM 1597 CG LYS A 108 -9.548 -5.562 -12.275 1.00 0.00 C ATOM 1598 CD LYS A 108 -9.287 -4.309 -13.124 1.00 0.00 C ATOM 1599 CE LYS A 108 -10.559 -3.727 -13.749 1.00 0.00 C ATOM 1600 NZ LYS A 108 -10.240 -2.598 -14.640 1.00 0.00 N ATOM 0 H LYS A 108 -11.249 -4.907 -8.794 1.00 0.00 H new ATOM 0 HA LYS A 108 -11.498 -7.013 -10.524 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -11.256 -4.734 -11.269 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -9.746 -4.527 -10.403 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -8.597 -6.027 -12.013 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -10.106 -6.289 -12.865 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -8.815 -3.549 -12.502 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -8.581 -4.556 -13.917 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -11.080 -4.502 -14.311 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -11.236 -3.394 -12.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -11.118 -2.221 -15.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -9.764 -1.850 -14.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -9.613 -2.924 -15.403 1.00 0.00 H new ATOM 1614 N HIS A 109 -8.374 -6.799 -9.500 1.00 0.00 N ATOM 1615 CA HIS A 109 -7.098 -7.489 -9.439 1.00 0.00 C ATOM 1616 C HIS A 109 -7.056 -8.578 -8.363 1.00 0.00 C ATOM 1617 O HIS A 109 -6.249 -9.498 -8.471 1.00 0.00 O ATOM 1618 CB HIS A 109 -6.002 -6.434 -9.292 1.00 0.00 C ATOM 1619 CG HIS A 109 -5.900 -5.579 -10.531 1.00 0.00 C ATOM 1620 ND1 HIS A 109 -5.368 -6.091 -11.712 1.00 0.00 N ATOM 1621 CD2 HIS A 109 -6.331 -4.299 -10.767 1.00 0.00 C ATOM 1622 CE1 HIS A 109 -5.507 -5.107 -12.603 1.00 0.00 C ATOM 1623 NE2 HIS A 109 -6.078 -4.010 -12.088 1.00 0.00 N ATOM 0 H HIS A 109 -8.336 -5.836 -9.166 1.00 0.00 H new ATOM 0 HA HIS A 109 -6.934 -8.044 -10.363 1.00 0.00 H new ATOM 0 HB2 HIS A 109 -6.213 -5.804 -8.428 1.00 0.00 H new ATOM 0 HB3 HIS A 109 -5.046 -6.922 -9.104 1.00 0.00 H new ATOM 0 HD2 HIS A 109 -6.787 -3.637 -10.046 1.00 0.00 H new ATOM 0 HE1 HIS A 109 -5.192 -5.187 -13.633 1.00 0.00 H new ATOM 0 HE2 HIS A 109 -6.283 -3.138 -12.576 1.00 0.00 H new ATOM 1631 N ALA A 110 -7.893 -8.488 -7.324 1.00 0.00 N ATOM 1632 CA ALA A 110 -8.008 -9.535 -6.318 1.00 0.00 C ATOM 1633 C ALA A 110 -8.743 -10.721 -6.932 1.00 0.00 C ATOM 1634 O ALA A 110 -8.320 -11.864 -6.774 1.00 0.00 O ATOM 1635 CB ALA A 110 -8.754 -9.019 -5.083 1.00 0.00 C ATOM 0 H ALA A 110 -8.505 -7.688 -7.162 1.00 0.00 H new ATOM 0 HA ALA A 110 -7.014 -9.845 -5.997 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -8.829 -9.816 -4.344 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -8.210 -8.177 -4.655 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -9.754 -8.696 -5.371 1.00 0.00 H new ATOM 1641 N ALA A 111 -9.849 -10.460 -7.632 1.00 0.00 N ATOM 1642 CA ALA A 111 -10.624 -11.495 -8.300 1.00 0.00 C ATOM 1643 C ALA A 111 -9.974 -11.838 -9.645 1.00 0.00 C ATOM 1644 O ALA A 111 -10.635 -11.786 -10.681 1.00 0.00 O ATOM 1645 CB ALA A 111 -12.063 -10.998 -8.472 1.00 0.00 C ATOM 0 H ALA A 111 -10.229 -9.521 -7.749 1.00 0.00 H new ATOM 0 HA ALA A 111 -10.644 -12.407 -7.704 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -12.655 -11.764 -8.972 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -12.494 -10.787 -7.494 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -12.065 -10.089 -9.073 1.00 0.00 H new ATOM 1651 N ALA A 112 -8.689 -12.202 -9.633 1.00 0.00 N ATOM 1652 CA ALA A 112 -7.932 -12.543 -10.823 1.00 0.00 C ATOM 1653 C ALA A 112 -6.710 -13.355 -10.405 1.00 0.00 C ATOM 1654 O ALA A 112 -6.135 -14.016 -11.296 1.00 0.00 O ATOM 1655 CB ALA A 112 -7.506 -11.265 -11.552 1.00 0.00 C ATOM 1656 OXT ALA A 112 -6.348 -13.288 -9.207 1.00 0.00 O ATOM 0 H ALA A 112 -8.142 -12.267 -8.775 1.00 0.00 H new ATOM 0 HA ALA A 112 -8.545 -13.134 -11.503 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -6.938 -11.527 -12.445 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -8.391 -10.698 -11.839 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -6.885 -10.659 -10.892 1.00 0.00 H new TER 1662 ALA A 112