USER MOD reduce.3.24.130724 H: found=0, std=0, add=803, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 805 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 78 ASN : amide:sc= -0.645 X(o=0.4,f=0.52) USER MOD Set 1.2: A 82 THR OG1 : rot -61:sc= 1.04 USER MOD Set 2.1: A 28 GLN : amide:sc= 1.16 K(o=1.2,f=-0.39) USER MOD Set 2.2: A 30 TYR OH : rot 82:sc= 0.0223 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -164:sc= 1.24 (180deg=0.895) USER MOD Single : A 25 TYR OH : rot -145:sc= 1.21 USER MOD Single : A 33 THR OG1 : rot 77:sc= 1.8 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot 17:sc= 1.22 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot -179:sc= 1.04 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -55:sc= 0.92 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=-0.0067) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.01 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -1.63! K(o=-1.6!,f=0) USER MOD Single : A 81 TYR OH : rot 30:sc= -0.177 USER MOD Single : A 86 THR OG1 : rot 99:sc= 1.59 USER MOD Single : A 90 HIS : no HD1:sc= -0.982 K(o=-0.98,f=-0.17) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 157:sc= 1.21 (180deg=0.724) USER MOD Single : A 100 SER OG : rot 68:sc= 0.378 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 SER OG : rot 137:sc= 1.2 USER MOD Single : A 107 SER OG : rot -74:sc= 1.24 USER MOD Single : A 109 LYS NZ :NH3+ 125:sc= 1.33 (180deg=0.498) USER MOD Single : A 113 GLN : amide:sc= 0.664 K(o=0.66,f=-0.23) USER MOD Single : A 114 THR OG1 : rot -78:sc= -0.0635 USER MOD Single : A 115 LYS NZ :NH3+ 157:sc= 0.22 (180deg=-0.551) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 ASN : amide:sc= -0.0125 X(o=-0.012,f=0) USER MOD Single : A 124 GLN : amide:sc= -1.32 K(o=-1.3,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 19 4.200 18.637 6.742 1.00 0.00 N ATOM 2 CA GLY A 19 3.191 17.717 6.238 1.00 0.00 C ATOM 3 C GLY A 19 3.199 16.430 7.025 1.00 0.00 C ATOM 4 O GLY A 19 3.818 15.453 6.616 1.00 0.00 O ATOM 0 HA2 GLY A 19 2.206 18.180 6.300 1.00 0.00 H new ATOM 0 HA3 GLY A 19 3.378 17.506 5.185 1.00 0.00 H new ATOM 10 N ALA A 20 2.488 16.417 8.145 1.00 0.00 N ATOM 11 CA ALA A 20 2.424 15.256 9.035 1.00 0.00 C ATOM 12 C ALA A 20 1.613 14.134 8.402 1.00 0.00 C ATOM 13 O ALA A 20 1.599 13.003 8.873 1.00 0.00 O ATOM 14 CB ALA A 20 1.825 15.659 10.373 1.00 0.00 C ATOM 0 H ALA A 20 1.936 17.212 8.466 1.00 0.00 H new ATOM 0 HA ALA A 20 3.437 14.888 9.200 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.781 14.789 11.029 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.445 16.429 10.832 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.819 16.048 10.219 1.00 0.00 H new ATOM 20 N ASP A 21 0.945 14.473 7.330 1.00 0.00 N ATOM 21 CA ASP A 21 0.153 13.549 6.545 1.00 0.00 C ATOM 22 C ASP A 21 1.058 12.736 5.615 1.00 0.00 C ATOM 23 O ASP A 21 0.610 11.806 4.947 1.00 0.00 O ATOM 24 CB ASP A 21 -0.870 14.324 5.713 1.00 0.00 C ATOM 25 CG ASP A 21 -0.210 15.246 4.713 1.00 0.00 C ATOM 26 OD1 ASP A 21 -0.194 14.923 3.512 1.00 0.00 O ATOM 27 OD2 ASP A 21 0.326 16.297 5.122 1.00 0.00 O ATOM 0 H ASP A 21 0.934 15.425 6.965 1.00 0.00 H new ATOM 0 HA ASP A 21 -0.367 12.869 7.220 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -1.515 13.621 5.186 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -1.509 14.907 6.376 1.00 0.00 H new ATOM 32 N SER A 22 2.316 13.106 5.552 1.00 0.00 N ATOM 33 CA SER A 22 3.280 12.387 4.775 1.00 0.00 C ATOM 34 C SER A 22 4.269 11.743 5.743 1.00 0.00 C ATOM 35 O SER A 22 4.878 12.431 6.561 1.00 0.00 O ATOM 36 CB SER A 22 3.999 13.357 3.845 1.00 0.00 C ATOM 37 OG SER A 22 3.065 14.103 3.059 1.00 0.00 O ATOM 0 H SER A 22 2.694 13.917 6.042 1.00 0.00 H new ATOM 0 HA SER A 22 2.801 11.619 4.168 1.00 0.00 H new ATOM 0 HB2 SER A 22 4.613 14.040 4.431 1.00 0.00 H new ATOM 0 HB3 SER A 22 4.673 12.805 3.189 1.00 0.00 H new ATOM 0 HG SER A 22 3.550 14.719 2.472 1.00 0.00 H new ATOM 43 N CYS A 23 4.438 10.458 5.657 1.00 0.00 N ATOM 44 CA CYS A 23 5.290 9.767 6.584 1.00 0.00 C ATOM 45 C CYS A 23 6.124 8.724 5.882 1.00 0.00 C ATOM 46 O CYS A 23 5.782 8.256 4.781 1.00 0.00 O ATOM 47 CB CYS A 23 4.458 9.147 7.715 1.00 0.00 C ATOM 48 SG CYS A 23 3.060 8.131 7.140 1.00 0.00 S ATOM 0 H CYS A 23 3.998 9.864 4.954 1.00 0.00 H new ATOM 0 HA CYS A 23 5.976 10.490 7.024 1.00 0.00 H new ATOM 0 HB2 CYS A 23 5.110 8.531 8.335 1.00 0.00 H new ATOM 0 HB3 CYS A 23 4.075 9.946 8.350 1.00 0.00 H new ATOM 53 N LYS A 24 7.221 8.381 6.493 1.00 0.00 N ATOM 54 CA LYS A 24 8.112 7.399 5.966 1.00 0.00 C ATOM 55 C LYS A 24 7.566 6.004 6.168 1.00 0.00 C ATOM 56 O LYS A 24 7.316 5.585 7.299 1.00 0.00 O ATOM 57 CB LYS A 24 9.517 7.529 6.591 1.00 0.00 C ATOM 58 CG LYS A 24 10.569 8.164 5.682 1.00 0.00 C ATOM 59 CD LYS A 24 10.151 9.539 5.203 1.00 0.00 C ATOM 60 CE LYS A 24 11.159 10.135 4.228 1.00 0.00 C ATOM 61 NZ LYS A 24 12.462 10.467 4.853 1.00 0.00 N ATOM 0 H LYS A 24 7.522 8.782 7.381 1.00 0.00 H new ATOM 0 HA LYS A 24 8.201 7.577 4.894 1.00 0.00 H new ATOM 0 HB2 LYS A 24 9.440 8.122 7.502 1.00 0.00 H new ATOM 0 HB3 LYS A 24 9.862 6.537 6.884 1.00 0.00 H new ATOM 0 HG2 LYS A 24 11.514 8.239 6.219 1.00 0.00 H new ATOM 0 HG3 LYS A 24 10.742 7.518 4.822 1.00 0.00 H new ATOM 0 HD2 LYS A 24 9.175 9.474 4.721 1.00 0.00 H new ATOM 0 HD3 LYS A 24 10.039 10.203 6.060 1.00 0.00 H new ATOM 0 HE2 LYS A 24 11.325 9.430 3.413 1.00 0.00 H new ATOM 0 HE3 LYS A 24 10.736 11.038 3.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 12.996 11.103 4.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 12.299 10.937 5.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 13.006 9.594 5.005 1.00 0.00 H new ATOM 75 N TYR A 25 7.333 5.322 5.045 1.00 0.00 N ATOM 76 CA TYR A 25 6.984 3.898 5.013 1.00 0.00 C ATOM 77 C TYR A 25 5.585 3.622 5.558 1.00 0.00 C ATOM 78 O TYR A 25 5.399 2.776 6.449 1.00 0.00 O ATOM 79 CB TYR A 25 8.057 3.039 5.742 1.00 0.00 C ATOM 80 CG TYR A 25 9.448 3.071 5.112 1.00 0.00 C ATOM 81 CD1 TYR A 25 10.139 4.266 4.943 1.00 0.00 C ATOM 82 CD2 TYR A 25 10.066 1.907 4.708 1.00 0.00 C ATOM 83 CE1 TYR A 25 11.390 4.308 4.399 1.00 0.00 C ATOM 84 CE2 TYR A 25 11.325 1.929 4.148 1.00 0.00 C ATOM 85 CZ TYR A 25 11.988 3.140 3.996 1.00 0.00 C ATOM 86 OH TYR A 25 13.257 3.181 3.482 1.00 0.00 O ATOM 0 H TYR A 25 7.382 5.748 4.119 1.00 0.00 H new ATOM 0 HA TYR A 25 6.970 3.603 3.964 1.00 0.00 H new ATOM 0 HB2 TYR A 25 8.134 3.381 6.774 1.00 0.00 H new ATOM 0 HB3 TYR A 25 7.713 2.005 5.774 1.00 0.00 H new ATOM 0 HD1 TYR A 25 9.671 5.189 5.252 1.00 0.00 H new ATOM 0 HD2 TYR A 25 9.556 0.963 4.832 1.00 0.00 H new ATOM 0 HE1 TYR A 25 11.904 5.251 4.287 1.00 0.00 H new ATOM 0 HE2 TYR A 25 11.794 1.010 3.829 1.00 0.00 H new ATOM 0 HH TYR A 25 13.344 2.511 2.772 1.00 0.00 H new ATOM 96 N CYS A 26 4.614 4.313 5.020 1.00 0.00 N ATOM 97 CA CYS A 26 3.240 4.118 5.411 1.00 0.00 C ATOM 98 C CYS A 26 2.421 3.825 4.165 1.00 0.00 C ATOM 99 O CYS A 26 2.827 4.178 3.061 1.00 0.00 O ATOM 100 CB CYS A 26 2.674 5.390 6.038 1.00 0.00 C ATOM 101 SG CYS A 26 3.726 6.217 7.260 1.00 0.00 S ATOM 0 H CYS A 26 4.751 5.024 4.302 1.00 0.00 H new ATOM 0 HA CYS A 26 3.194 3.299 6.129 1.00 0.00 H new ATOM 0 HB2 CYS A 26 2.456 6.098 5.239 1.00 0.00 H new ATOM 0 HB3 CYS A 26 1.725 5.144 6.514 1.00 0.00 H new ATOM 106 N LEU A 27 1.331 3.149 4.340 1.00 0.00 N ATOM 107 CA LEU A 27 0.364 2.942 3.295 1.00 0.00 C ATOM 108 C LEU A 27 -0.863 3.707 3.696 1.00 0.00 C ATOM 109 O LEU A 27 -1.373 3.508 4.803 1.00 0.00 O ATOM 110 CB LEU A 27 0.032 1.454 3.157 1.00 0.00 C ATOM 111 CG LEU A 27 -0.982 1.045 2.090 1.00 0.00 C ATOM 112 CD1 LEU A 27 -0.550 1.477 0.711 1.00 0.00 C ATOM 113 CD2 LEU A 27 -1.166 -0.432 2.115 1.00 0.00 C ATOM 0 H LEU A 27 1.078 2.715 5.228 1.00 0.00 H new ATOM 0 HA LEU A 27 0.750 3.281 2.333 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.961 0.921 2.957 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.336 1.102 4.121 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.924 1.544 2.317 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.298 1.167 -0.018 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.446 2.562 0.685 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.407 1.015 0.468 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.890 -0.721 1.353 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.213 -0.921 1.914 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.531 -0.737 3.096 1.00 0.00 H new ATOM 125 N GLN A 28 -1.305 4.608 2.872 1.00 0.00 N ATOM 126 CA GLN A 28 -2.472 5.369 3.206 1.00 0.00 C ATOM 127 C GLN A 28 -3.561 5.075 2.232 1.00 0.00 C ATOM 128 O GLN A 28 -3.382 5.190 1.005 1.00 0.00 O ATOM 129 CB GLN A 28 -2.158 6.853 3.222 1.00 0.00 C ATOM 130 CG GLN A 28 -1.201 7.261 4.334 1.00 0.00 C ATOM 131 CD GLN A 28 -0.771 8.716 4.243 1.00 0.00 C ATOM 132 OE1 GLN A 28 -1.495 9.565 3.719 1.00 0.00 O ATOM 133 NE2 GLN A 28 0.375 9.034 4.794 1.00 0.00 N ATOM 0 H GLN A 28 -0.881 4.833 1.972 1.00 0.00 H new ATOM 0 HA GLN A 28 -2.803 5.084 4.205 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -1.727 7.135 2.261 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -3.088 7.412 3.331 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -1.679 7.089 5.298 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -0.317 6.624 4.298 1.00 0.00 H new ATOM 0 HE21 GLN A 28 0.954 8.311 5.221 1.00 0.00 H new ATOM 0 HE22 GLN A 28 0.688 10.005 4.796 1.00 0.00 H new ATOM 142 N LEU A 29 -4.671 4.676 2.752 1.00 0.00 N ATOM 143 CA LEU A 29 -5.792 4.380 1.941 1.00 0.00 C ATOM 144 C LEU A 29 -6.835 5.429 2.146 1.00 0.00 C ATOM 145 O LEU A 29 -7.214 5.702 3.283 1.00 0.00 O ATOM 146 CB LEU A 29 -6.317 2.979 2.212 1.00 0.00 C ATOM 147 CG LEU A 29 -5.264 1.866 2.089 1.00 0.00 C ATOM 148 CD1 LEU A 29 -4.688 1.462 3.439 1.00 0.00 C ATOM 149 CD2 LEU A 29 -5.810 0.683 1.358 1.00 0.00 C ATOM 0 H LEU A 29 -4.823 4.547 3.752 1.00 0.00 H new ATOM 0 HA LEU A 29 -5.495 4.392 0.892 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -6.740 2.952 3.216 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -7.131 2.770 1.518 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.440 2.274 1.504 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -3.949 0.673 3.298 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -4.213 2.325 3.905 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -5.489 1.098 4.082 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.042 -0.087 1.287 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -6.671 0.288 1.897 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -6.116 0.984 0.356 1.00 0.00 H new ATOM 161 N TYR A 30 -7.273 6.023 1.076 1.00 0.00 N ATOM 162 CA TYR A 30 -8.218 7.105 1.130 1.00 0.00 C ATOM 163 C TYR A 30 -9.612 6.603 0.963 1.00 0.00 C ATOM 164 O TYR A 30 -9.854 5.625 0.249 1.00 0.00 O ATOM 165 CB TYR A 30 -7.906 8.146 0.073 1.00 0.00 C ATOM 166 CG TYR A 30 -6.583 8.829 0.292 1.00 0.00 C ATOM 167 CD1 TYR A 30 -6.478 9.938 1.122 1.00 0.00 C ATOM 168 CD2 TYR A 30 -5.433 8.351 -0.312 1.00 0.00 C ATOM 169 CE1 TYR A 30 -5.259 10.547 1.344 1.00 0.00 C ATOM 170 CE2 TYR A 30 -4.217 8.954 -0.099 1.00 0.00 C ATOM 171 CZ TYR A 30 -4.131 10.047 0.730 1.00 0.00 C ATOM 172 OH TYR A 30 -2.906 10.643 0.943 1.00 0.00 O ATOM 0 H TYR A 30 -6.983 5.770 0.131 1.00 0.00 H new ATOM 0 HA TYR A 30 -8.135 7.572 2.112 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -7.905 7.671 -0.908 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -8.698 8.895 0.064 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -7.363 10.330 1.601 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -5.493 7.490 -0.961 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -5.190 11.407 1.993 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -3.331 8.570 -0.582 1.00 0.00 H new ATOM 0 HH TYR A 30 -2.523 10.313 1.783 1.00 0.00 H new ATOM 182 N ASP A 31 -10.525 7.271 1.599 1.00 0.00 N ATOM 183 CA ASP A 31 -11.913 6.879 1.585 1.00 0.00 C ATOM 184 C ASP A 31 -12.566 7.153 0.246 1.00 0.00 C ATOM 185 O ASP A 31 -13.369 6.349 -0.247 1.00 0.00 O ATOM 186 CB ASP A 31 -12.687 7.551 2.715 1.00 0.00 C ATOM 187 CG ASP A 31 -14.149 7.194 2.699 1.00 0.00 C ATOM 188 OD1 ASP A 31 -14.501 6.050 3.068 1.00 0.00 O ATOM 189 OD2 ASP A 31 -14.976 8.050 2.347 1.00 0.00 O ATOM 0 H ASP A 31 -10.333 8.109 2.147 1.00 0.00 H new ATOM 0 HA ASP A 31 -11.942 5.801 1.746 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -12.255 7.259 3.672 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -12.579 8.633 2.633 1.00 0.00 H new ATOM 194 N GLU A 32 -12.217 8.252 -0.348 1.00 0.00 N ATOM 195 CA GLU A 32 -12.752 8.626 -1.625 1.00 0.00 C ATOM 196 C GLU A 32 -11.674 8.510 -2.668 1.00 0.00 C ATOM 197 O GLU A 32 -10.539 8.137 -2.348 1.00 0.00 O ATOM 198 CB GLU A 32 -13.347 10.029 -1.587 1.00 0.00 C ATOM 199 CG GLU A 32 -14.533 10.151 -0.646 1.00 0.00 C ATOM 200 CD GLU A 32 -15.150 11.520 -0.644 1.00 0.00 C ATOM 201 OE1 GLU A 32 -14.928 12.288 0.310 1.00 0.00 O ATOM 202 OE2 GLU A 32 -15.881 11.851 -1.598 1.00 0.00 O ATOM 0 H GLU A 32 -11.550 8.920 0.039 1.00 0.00 H new ATOM 0 HA GLU A 32 -13.566 7.948 -1.883 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -12.575 10.736 -1.282 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -13.659 10.312 -2.592 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -15.290 9.419 -0.929 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -14.212 9.903 0.366 1.00 0.00 H new ATOM 209 N THR A 33 -12.006 8.779 -3.896 1.00 0.00 N ATOM 210 CA THR A 33 -11.066 8.682 -4.958 1.00 0.00 C ATOM 211 C THR A 33 -10.155 9.905 -4.996 1.00 0.00 C ATOM 212 O THR A 33 -10.364 10.859 -4.231 1.00 0.00 O ATOM 213 CB THR A 33 -11.810 8.512 -6.286 1.00 0.00 C ATOM 214 OG1 THR A 33 -12.938 9.393 -6.314 1.00 0.00 O ATOM 215 CG2 THR A 33 -12.294 7.105 -6.453 1.00 0.00 C ATOM 0 H THR A 33 -12.940 9.072 -4.184 1.00 0.00 H new ATOM 0 HA THR A 33 -10.434 7.810 -4.791 1.00 0.00 H new ATOM 0 HB THR A 33 -11.121 8.747 -7.097 1.00 0.00 H new ATOM 0 HG1 THR A 33 -12.635 10.307 -6.493 1.00 0.00 H new ATOM 0 HG21 THR A 33 -12.819 7.011 -7.404 1.00 0.00 H new ATOM 0 HG22 THR A 33 -11.443 6.424 -6.439 1.00 0.00 H new ATOM 0 HG23 THR A 33 -12.973 6.855 -5.638 1.00 0.00 H new ATOM 223 N TYR A 34 -9.128 9.852 -5.863 1.00 0.00 N ATOM 224 CA TYR A 34 -8.170 10.957 -6.104 1.00 0.00 C ATOM 225 C TYR A 34 -7.618 11.615 -4.820 1.00 0.00 C ATOM 226 O TYR A 34 -7.513 12.851 -4.735 1.00 0.00 O ATOM 227 CB TYR A 34 -8.677 11.990 -7.183 1.00 0.00 C ATOM 228 CG TYR A 34 -10.055 12.577 -6.935 1.00 0.00 C ATOM 229 CD1 TYR A 34 -10.214 13.796 -6.313 1.00 0.00 C ATOM 230 CD2 TYR A 34 -11.191 11.878 -7.297 1.00 0.00 C ATOM 231 CE1 TYR A 34 -11.466 14.309 -6.054 1.00 0.00 C ATOM 232 CE2 TYR A 34 -12.444 12.367 -7.049 1.00 0.00 C ATOM 233 CZ TYR A 34 -12.586 13.588 -6.422 1.00 0.00 C ATOM 234 OH TYR A 34 -13.844 14.088 -6.163 1.00 0.00 O ATOM 0 H TYR A 34 -8.933 9.026 -6.429 1.00 0.00 H new ATOM 0 HA TYR A 34 -7.297 10.478 -6.547 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -7.959 12.808 -7.242 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -8.681 11.499 -8.156 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -9.340 14.360 -6.023 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -11.087 10.922 -7.788 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -11.571 15.267 -5.567 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -13.316 11.801 -7.342 1.00 0.00 H new ATOM 0 HH TYR A 34 -14.520 13.457 -6.487 1.00 0.00 H new ATOM 244 N GLU A 35 -7.281 10.763 -3.819 1.00 0.00 N ATOM 245 CA GLU A 35 -6.664 11.189 -2.542 1.00 0.00 C ATOM 246 C GLU A 35 -7.623 12.017 -1.662 1.00 0.00 C ATOM 247 O GLU A 35 -7.184 12.828 -0.840 1.00 0.00 O ATOM 248 CB GLU A 35 -5.347 11.962 -2.796 1.00 0.00 C ATOM 249 CG GLU A 35 -4.235 11.128 -3.431 1.00 0.00 C ATOM 250 CD GLU A 35 -3.019 11.956 -3.788 1.00 0.00 C ATOM 251 OE1 GLU A 35 -2.177 12.242 -2.894 1.00 0.00 O ATOM 252 OE2 GLU A 35 -2.879 12.339 -4.970 1.00 0.00 O ATOM 0 H GLU A 35 -7.432 9.756 -3.878 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.436 10.279 -1.987 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.559 12.814 -3.442 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -4.987 12.363 -1.848 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.941 10.336 -2.742 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.617 10.644 -4.330 1.00 0.00 H new ATOM 259 N ARG A 36 -8.915 11.772 -1.789 1.00 0.00 N ATOM 260 CA ARG A 36 -9.915 12.509 -1.015 1.00 0.00 C ATOM 261 C ARG A 36 -10.533 11.657 0.091 1.00 0.00 C ATOM 262 O ARG A 36 -10.324 10.433 0.162 1.00 0.00 O ATOM 263 CB ARG A 36 -11.002 13.073 -1.933 1.00 0.00 C ATOM 264 CG ARG A 36 -10.461 14.031 -2.968 1.00 0.00 C ATOM 265 CD ARG A 36 -9.976 15.320 -2.357 1.00 0.00 C ATOM 266 NE ARG A 36 -9.120 16.090 -3.266 1.00 0.00 N ATOM 267 CZ ARG A 36 -8.756 17.366 -3.080 1.00 0.00 C ATOM 268 NH1 ARG A 36 -9.332 18.097 -2.135 1.00 0.00 N ATOM 269 NH2 ARG A 36 -7.827 17.906 -3.860 1.00 0.00 N ATOM 0 H ARG A 36 -9.303 11.070 -2.419 1.00 0.00 H new ATOM 0 HA ARG A 36 -9.398 13.338 -0.531 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -11.508 12.249 -2.437 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -11.751 13.585 -1.329 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -9.641 13.556 -3.506 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -11.239 14.249 -3.700 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -10.835 15.928 -2.071 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -9.423 15.099 -1.444 1.00 0.00 H new ATOM 0 HE ARG A 36 -8.776 15.619 -4.103 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -10.057 17.688 -1.545 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -9.050 19.068 -1.998 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -7.394 17.350 -4.597 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.547 18.877 -3.722 1.00 0.00 H new ATOM 283 N GLY A 37 -11.319 12.303 0.925 1.00 0.00 N ATOM 284 CA GLY A 37 -11.929 11.660 2.056 1.00 0.00 C ATOM 285 C GLY A 37 -10.960 11.602 3.196 1.00 0.00 C ATOM 286 O GLY A 37 -10.004 12.391 3.240 1.00 0.00 O ATOM 0 H GLY A 37 -11.550 13.292 0.833 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -12.824 12.205 2.356 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -12.245 10.653 1.785 1.00 0.00 H new ATOM 290 N SER A 38 -11.192 10.723 4.128 1.00 0.00 N ATOM 291 CA SER A 38 -10.235 10.504 5.169 1.00 0.00 C ATOM 292 C SER A 38 -9.290 9.421 4.689 1.00 0.00 C ATOM 293 O SER A 38 -9.457 8.897 3.578 1.00 0.00 O ATOM 294 CB SER A 38 -10.918 10.059 6.452 1.00 0.00 C ATOM 295 OG SER A 38 -11.952 10.956 6.827 1.00 0.00 O ATOM 0 H SER A 38 -12.033 10.149 4.187 1.00 0.00 H new ATOM 0 HA SER A 38 -9.700 11.429 5.386 1.00 0.00 H new ATOM 0 HB2 SER A 38 -11.332 9.060 6.318 1.00 0.00 H new ATOM 0 HB3 SER A 38 -10.182 9.994 7.254 1.00 0.00 H new ATOM 0 HG SER A 38 -12.373 10.642 7.654 1.00 0.00 H new ATOM 301 N TYR A 39 -8.333 9.073 5.484 1.00 0.00 N ATOM 302 CA TYR A 39 -7.397 8.069 5.108 1.00 0.00 C ATOM 303 C TYR A 39 -6.939 7.364 6.346 1.00 0.00 C ATOM 304 O TYR A 39 -7.123 7.878 7.455 1.00 0.00 O ATOM 305 CB TYR A 39 -6.197 8.690 4.373 1.00 0.00 C ATOM 306 CG TYR A 39 -5.339 9.583 5.231 1.00 0.00 C ATOM 307 CD1 TYR A 39 -4.110 9.148 5.674 1.00 0.00 C ATOM 308 CD2 TYR A 39 -5.767 10.848 5.612 1.00 0.00 C ATOM 309 CE1 TYR A 39 -3.322 9.933 6.468 1.00 0.00 C ATOM 310 CE2 TYR A 39 -4.989 11.649 6.410 1.00 0.00 C ATOM 311 CZ TYR A 39 -3.760 11.186 6.840 1.00 0.00 C ATOM 312 OH TYR A 39 -2.963 11.977 7.641 1.00 0.00 O ATOM 0 H TYR A 39 -8.179 9.475 6.409 1.00 0.00 H new ATOM 0 HA TYR A 39 -7.872 7.362 4.428 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -5.578 7.888 3.971 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -6.564 9.266 3.524 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -3.762 8.166 5.388 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -6.728 11.207 5.275 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -2.360 9.573 6.803 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -5.334 12.631 6.699 1.00 0.00 H new ATOM 0 HH TYR A 39 -3.415 12.830 7.812 1.00 0.00 H new ATOM 322 N ILE A 40 -6.366 6.227 6.175 1.00 0.00 N ATOM 323 CA ILE A 40 -5.840 5.468 7.272 1.00 0.00 C ATOM 324 C ILE A 40 -4.345 5.325 7.060 1.00 0.00 C ATOM 325 O ILE A 40 -3.881 5.377 5.914 1.00 0.00 O ATOM 326 CB ILE A 40 -6.506 4.057 7.338 1.00 0.00 C ATOM 327 CG1 ILE A 40 -6.114 3.315 8.631 1.00 0.00 C ATOM 328 CG2 ILE A 40 -6.129 3.235 6.106 1.00 0.00 C ATOM 329 CD1 ILE A 40 -6.789 1.973 8.814 1.00 0.00 C ATOM 0 H ILE A 40 -6.244 5.785 5.264 1.00 0.00 H new ATOM 0 HA ILE A 40 -6.050 5.979 8.212 1.00 0.00 H new ATOM 0 HB ILE A 40 -7.588 4.192 7.349 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -5.034 3.168 8.637 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -6.355 3.948 9.485 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -6.600 2.254 6.165 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -6.471 3.748 5.207 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -5.046 3.116 6.066 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -6.455 1.522 9.749 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -7.870 2.110 8.843 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -6.529 1.318 7.982 1.00 0.00 H new ATOM 341 N GLU A 41 -3.603 5.192 8.116 1.00 0.00 N ATOM 342 CA GLU A 41 -2.202 4.953 8.004 1.00 0.00 C ATOM 343 C GLU A 41 -1.924 3.526 8.381 1.00 0.00 C ATOM 344 O GLU A 41 -2.323 3.065 9.446 1.00 0.00 O ATOM 345 CB GLU A 41 -1.423 5.868 8.929 1.00 0.00 C ATOM 346 CG GLU A 41 -1.445 7.330 8.554 1.00 0.00 C ATOM 347 CD GLU A 41 -0.743 8.156 9.583 1.00 0.00 C ATOM 348 OE1 GLU A 41 0.473 8.021 9.730 1.00 0.00 O ATOM 349 OE2 GLU A 41 -1.405 8.931 10.294 1.00 0.00 O ATOM 0 H GLU A 41 -3.951 5.246 9.073 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.892 5.149 6.978 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.821 5.762 9.938 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.386 5.532 8.958 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.968 7.468 7.584 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.476 7.668 8.453 1.00 0.00 H new ATOM 356 N VAL A 42 -1.274 2.836 7.513 1.00 0.00 N ATOM 357 CA VAL A 42 -0.868 1.483 7.741 1.00 0.00 C ATOM 358 C VAL A 42 0.631 1.448 7.702 1.00 0.00 C ATOM 359 O VAL A 42 1.245 2.061 6.829 1.00 0.00 O ATOM 360 CB VAL A 42 -1.466 0.540 6.673 1.00 0.00 C ATOM 361 CG1 VAL A 42 -0.965 -0.880 6.830 1.00 0.00 C ATOM 362 CG2 VAL A 42 -2.977 0.573 6.717 1.00 0.00 C ATOM 0 H VAL A 42 -1.000 3.200 6.600 1.00 0.00 H new ATOM 0 HA VAL A 42 -1.231 1.138 8.709 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.134 0.901 5.700 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -1.410 -1.510 6.060 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.120 -0.896 6.730 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.244 -1.258 7.814 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.378 -0.098 5.957 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.319 0.253 7.701 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.325 1.588 6.525 1.00 0.00 H new ATOM 372 N TYR A 43 1.219 0.787 8.651 1.00 0.00 N ATOM 373 CA TYR A 43 2.651 0.751 8.751 1.00 0.00 C ATOM 374 C TYR A 43 3.153 -0.667 8.592 1.00 0.00 C ATOM 375 O TYR A 43 4.255 -0.897 8.096 1.00 0.00 O ATOM 376 CB TYR A 43 3.080 1.283 10.105 1.00 0.00 C ATOM 377 CG TYR A 43 2.442 2.602 10.486 1.00 0.00 C ATOM 378 CD1 TYR A 43 2.918 3.806 9.991 1.00 0.00 C ATOM 379 CD2 TYR A 43 1.369 2.634 11.362 1.00 0.00 C ATOM 380 CE1 TYR A 43 2.350 5.007 10.365 1.00 0.00 C ATOM 381 CE2 TYR A 43 0.791 3.825 11.733 1.00 0.00 C ATOM 382 CZ TYR A 43 1.287 5.009 11.237 1.00 0.00 C ATOM 383 OH TYR A 43 0.724 6.204 11.638 1.00 0.00 O ATOM 0 H TYR A 43 0.728 0.261 9.374 1.00 0.00 H new ATOM 0 HA TYR A 43 3.073 1.370 7.959 1.00 0.00 H new ATOM 0 HB2 TYR A 43 2.838 0.542 10.867 1.00 0.00 H new ATOM 0 HB3 TYR A 43 4.163 1.402 10.109 1.00 0.00 H new ATOM 0 HD1 TYR A 43 3.748 3.804 9.300 1.00 0.00 H new ATOM 0 HD2 TYR A 43 0.980 1.708 11.760 1.00 0.00 H new ATOM 0 HE1 TYR A 43 2.737 5.937 9.976 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -0.049 3.831 12.411 1.00 0.00 H new ATOM 0 HH TYR A 43 1.001 6.918 11.026 1.00 0.00 H new ATOM 393 N LYS A 44 2.342 -1.611 8.986 1.00 0.00 N ATOM 394 CA LYS A 44 2.725 -2.995 8.939 1.00 0.00 C ATOM 395 C LYS A 44 1.658 -3.855 8.281 1.00 0.00 C ATOM 396 O LYS A 44 0.474 -3.486 8.267 1.00 0.00 O ATOM 397 CB LYS A 44 3.172 -3.514 10.340 1.00 0.00 C ATOM 398 CG LYS A 44 2.300 -3.122 11.521 1.00 0.00 C ATOM 399 CD LYS A 44 0.926 -3.724 11.496 1.00 0.00 C ATOM 400 CE LYS A 44 0.161 -3.213 12.677 1.00 0.00 C ATOM 401 NZ LYS A 44 -1.232 -3.704 12.731 1.00 0.00 N ATOM 0 H LYS A 44 1.403 -1.444 9.347 1.00 0.00 H new ATOM 0 HA LYS A 44 3.602 -3.078 8.298 1.00 0.00 H new ATOM 0 HB2 LYS A 44 3.222 -4.602 10.300 1.00 0.00 H new ATOM 0 HB3 LYS A 44 4.184 -3.155 10.529 1.00 0.00 H new ATOM 0 HG2 LYS A 44 2.799 -3.422 12.442 1.00 0.00 H new ATOM 0 HG3 LYS A 44 2.209 -2.036 11.546 1.00 0.00 H new ATOM 0 HD2 LYS A 44 0.414 -3.461 10.570 1.00 0.00 H new ATOM 0 HD3 LYS A 44 0.989 -4.812 11.527 1.00 0.00 H new ATOM 0 HE2 LYS A 44 0.678 -3.507 13.590 1.00 0.00 H new ATOM 0 HE3 LYS A 44 0.154 -2.123 12.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -1.705 -3.314 13.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -1.740 -3.402 11.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -1.232 -4.743 12.785 1.00 0.00 H new ATOM 415 N SER A 45 2.082 -4.969 7.737 1.00 0.00 N ATOM 416 CA SER A 45 1.218 -5.891 7.017 1.00 0.00 C ATOM 417 C SER A 45 0.088 -6.437 7.910 1.00 0.00 C ATOM 418 O SER A 45 0.264 -6.636 9.119 1.00 0.00 O ATOM 419 CB SER A 45 2.067 -7.056 6.497 1.00 0.00 C ATOM 420 OG SER A 45 3.192 -6.586 5.766 1.00 0.00 O ATOM 0 H SER A 45 3.055 -5.272 7.779 1.00 0.00 H new ATOM 0 HA SER A 45 0.753 -5.352 6.192 1.00 0.00 H new ATOM 0 HB2 SER A 45 2.404 -7.666 7.335 1.00 0.00 H new ATOM 0 HB3 SER A 45 1.458 -7.697 5.860 1.00 0.00 H new ATOM 0 HG SER A 45 3.709 -7.350 5.434 1.00 0.00 H new ATOM 426 N VAL A 46 -1.052 -6.660 7.311 1.00 0.00 N ATOM 427 CA VAL A 46 -2.182 -7.234 7.987 1.00 0.00 C ATOM 428 C VAL A 46 -2.544 -8.517 7.253 1.00 0.00 C ATOM 429 O VAL A 46 -2.483 -8.565 6.020 1.00 0.00 O ATOM 430 CB VAL A 46 -3.406 -6.258 8.037 1.00 0.00 C ATOM 431 CG1 VAL A 46 -3.952 -5.952 6.658 1.00 0.00 C ATOM 432 CG2 VAL A 46 -4.491 -6.794 8.949 1.00 0.00 C ATOM 0 H VAL A 46 -1.222 -6.445 6.329 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.920 -7.437 9.025 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.047 -5.316 8.451 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.799 -5.272 6.745 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.173 -5.487 6.053 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.277 -6.877 6.182 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.329 -6.097 8.966 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.831 -7.762 8.580 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.094 -6.909 9.958 1.00 0.00 H new ATOM 442 N GLY A 47 -2.873 -9.548 7.972 1.00 0.00 N ATOM 443 CA GLY A 47 -3.156 -10.804 7.327 1.00 0.00 C ATOM 444 C GLY A 47 -4.624 -11.001 7.051 1.00 0.00 C ATOM 445 O GLY A 47 -5.002 -11.787 6.170 1.00 0.00 O ATOM 0 H GLY A 47 -2.953 -9.551 8.989 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.604 -10.858 6.389 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.797 -11.619 7.955 1.00 0.00 H new ATOM 449 N SER A 48 -5.446 -10.274 7.758 1.00 0.00 N ATOM 450 CA SER A 48 -6.865 -10.419 7.653 1.00 0.00 C ATOM 451 C SER A 48 -7.594 -9.172 8.115 1.00 0.00 C ATOM 452 O SER A 48 -7.288 -8.613 9.169 1.00 0.00 O ATOM 453 CB SER A 48 -7.308 -11.637 8.462 1.00 0.00 C ATOM 454 OG SER A 48 -6.709 -11.648 9.768 1.00 0.00 O ATOM 0 H SER A 48 -5.145 -9.563 8.424 1.00 0.00 H new ATOM 0 HA SER A 48 -7.121 -10.565 6.604 1.00 0.00 H new ATOM 0 HB2 SER A 48 -8.394 -11.636 8.559 1.00 0.00 H new ATOM 0 HB3 SER A 48 -7.037 -12.548 7.928 1.00 0.00 H new ATOM 0 HG SER A 48 -7.014 -12.438 10.261 1.00 0.00 H new ATOM 460 N LEU A 49 -8.512 -8.727 7.309 1.00 0.00 N ATOM 461 CA LEU A 49 -9.367 -7.614 7.619 1.00 0.00 C ATOM 462 C LEU A 49 -10.797 -8.078 7.483 1.00 0.00 C ATOM 463 O LEU A 49 -11.207 -8.507 6.402 1.00 0.00 O ATOM 464 CB LEU A 49 -9.098 -6.505 6.596 1.00 0.00 C ATOM 465 CG LEU A 49 -7.693 -5.909 6.627 1.00 0.00 C ATOM 466 CD1 LEU A 49 -7.448 -5.043 5.416 1.00 0.00 C ATOM 467 CD2 LEU A 49 -7.506 -5.094 7.881 1.00 0.00 C ATOM 0 H LEU A 49 -8.694 -9.137 6.393 1.00 0.00 H new ATOM 0 HA LEU A 49 -9.184 -7.243 8.627 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -9.283 -6.903 5.598 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -9.818 -5.703 6.758 1.00 0.00 H new ATOM 0 HG LEU A 49 -6.975 -6.729 6.617 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -6.440 -4.630 5.462 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -7.554 -5.643 4.512 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -8.173 -4.229 5.398 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -6.501 -4.673 7.895 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -8.238 -4.287 7.903 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -7.644 -5.732 8.754 1.00 0.00 H new ATOM 479 N SER A 50 -11.536 -8.056 8.562 1.00 0.00 N ATOM 480 CA SER A 50 -12.926 -8.403 8.501 1.00 0.00 C ATOM 481 C SER A 50 -13.769 -7.374 9.269 1.00 0.00 C ATOM 482 O SER A 50 -13.665 -7.273 10.503 1.00 0.00 O ATOM 483 CB SER A 50 -13.171 -9.835 8.980 1.00 0.00 C ATOM 484 OG SER A 50 -14.502 -10.259 8.699 1.00 0.00 O ATOM 0 H SER A 50 -11.197 -7.802 9.490 1.00 0.00 H new ATOM 0 HA SER A 50 -13.243 -8.374 7.459 1.00 0.00 H new ATOM 0 HB2 SER A 50 -12.464 -10.508 8.495 1.00 0.00 H new ATOM 0 HB3 SER A 50 -12.987 -9.898 10.053 1.00 0.00 H new ATOM 0 HG SER A 50 -14.626 -11.178 9.016 1.00 0.00 H new ATOM 490 N PRO A 51 -14.605 -6.596 8.576 1.00 0.00 N ATOM 491 CA PRO A 51 -14.750 -6.672 7.130 1.00 0.00 C ATOM 492 C PRO A 51 -13.558 -6.017 6.417 1.00 0.00 C ATOM 493 O PRO A 51 -12.793 -5.256 7.041 1.00 0.00 O ATOM 494 CB PRO A 51 -16.035 -5.868 6.853 1.00 0.00 C ATOM 495 CG PRO A 51 -16.630 -5.601 8.192 1.00 0.00 C ATOM 496 CD PRO A 51 -15.476 -5.573 9.134 1.00 0.00 C ATOM 0 HA PRO A 51 -14.793 -7.700 6.771 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -15.812 -4.938 6.330 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -16.723 -6.431 6.223 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -17.169 -4.654 8.201 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -17.344 -6.377 8.467 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -14.994 -4.596 9.159 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -15.777 -5.806 10.155 1.00 0.00 H new ATOM 504 N PRO A 52 -13.359 -6.341 5.136 1.00 0.00 N ATOM 505 CA PRO A 52 -12.289 -5.764 4.327 1.00 0.00 C ATOM 506 C PRO A 52 -12.447 -4.258 4.195 1.00 0.00 C ATOM 507 O PRO A 52 -13.556 -3.712 4.345 1.00 0.00 O ATOM 508 CB PRO A 52 -12.464 -6.433 2.951 1.00 0.00 C ATOM 509 CG PRO A 52 -13.850 -6.948 2.948 1.00 0.00 C ATOM 510 CD PRO A 52 -14.154 -7.309 4.368 1.00 0.00 C ATOM 0 HA PRO A 52 -11.306 -5.931 4.768 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -12.307 -5.719 2.142 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -11.744 -7.239 2.810 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -14.546 -6.195 2.578 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -13.943 -7.816 2.295 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -15.218 -7.221 4.587 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -13.866 -8.336 4.593 1.00 0.00 H new ATOM 518 N TRP A 53 -11.381 -3.596 3.883 1.00 0.00 N ATOM 519 CA TRP A 53 -11.419 -2.171 3.747 1.00 0.00 C ATOM 520 C TRP A 53 -11.781 -1.852 2.339 1.00 0.00 C ATOM 521 O TRP A 53 -11.286 -2.493 1.420 1.00 0.00 O ATOM 522 CB TRP A 53 -10.058 -1.549 4.039 1.00 0.00 C ATOM 523 CG TRP A 53 -9.602 -1.657 5.461 1.00 0.00 C ATOM 524 CD1 TRP A 53 -10.379 -1.826 6.574 1.00 0.00 C ATOM 525 CD2 TRP A 53 -8.256 -1.571 5.922 1.00 0.00 C ATOM 526 NE1 TRP A 53 -9.589 -1.852 7.693 1.00 0.00 N ATOM 527 CE2 TRP A 53 -8.284 -1.694 7.318 1.00 0.00 C ATOM 528 CE3 TRP A 53 -7.024 -1.406 5.288 1.00 0.00 C ATOM 529 CZ2 TRP A 53 -7.128 -1.651 8.088 1.00 0.00 C ATOM 530 CZ3 TRP A 53 -5.884 -1.370 6.058 1.00 0.00 C ATOM 531 CH2 TRP A 53 -5.943 -1.492 7.442 1.00 0.00 C ATOM 0 H TRP A 53 -10.468 -4.019 3.716 1.00 0.00 H new ATOM 0 HA TRP A 53 -12.145 -1.771 4.455 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -9.314 -2.023 3.398 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -10.091 -0.495 3.763 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -11.455 -1.924 6.571 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -9.921 -1.970 8.650 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -6.966 -1.308 4.214 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -7.170 -1.741 9.163 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -4.925 -1.245 5.578 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -5.028 -1.460 8.015 1.00 0.00 H new ATOM 542 N THR A 54 -12.634 -0.898 2.160 1.00 0.00 N ATOM 543 CA THR A 54 -13.058 -0.503 0.854 1.00 0.00 C ATOM 544 C THR A 54 -12.667 0.963 0.547 1.00 0.00 C ATOM 545 O THR A 54 -13.504 1.882 0.645 1.00 0.00 O ATOM 546 CB THR A 54 -14.579 -0.734 0.690 1.00 0.00 C ATOM 547 OG1 THR A 54 -15.263 -0.321 1.895 1.00 0.00 O ATOM 548 CG2 THR A 54 -14.879 -2.201 0.414 1.00 0.00 C ATOM 0 H THR A 54 -13.060 -0.366 2.919 1.00 0.00 H new ATOM 0 HA THR A 54 -12.540 -1.126 0.125 1.00 0.00 H new ATOM 0 HB THR A 54 -14.929 -0.144 -0.157 1.00 0.00 H new ATOM 0 HG1 THR A 54 -16.227 -0.466 1.790 1.00 0.00 H new ATOM 0 HG21 THR A 54 -15.955 -2.338 0.303 1.00 0.00 H new ATOM 0 HG22 THR A 54 -14.377 -2.509 -0.503 1.00 0.00 H new ATOM 0 HG23 THR A 54 -14.520 -2.808 1.245 1.00 0.00 H new ATOM 556 N PRO A 55 -11.365 1.221 0.254 1.00 0.00 N ATOM 557 CA PRO A 55 -10.877 2.554 -0.067 1.00 0.00 C ATOM 558 C PRO A 55 -11.281 3.014 -1.472 1.00 0.00 C ATOM 559 O PRO A 55 -11.601 2.200 -2.352 1.00 0.00 O ATOM 560 CB PRO A 55 -9.359 2.406 0.018 1.00 0.00 C ATOM 561 CG PRO A 55 -9.107 0.990 -0.312 1.00 0.00 C ATOM 562 CD PRO A 55 -10.265 0.233 0.250 1.00 0.00 C ATOM 0 HA PRO A 55 -11.292 3.304 0.607 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -8.855 3.072 -0.682 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -8.991 2.653 1.014 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -9.031 0.846 -1.390 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -8.168 0.648 0.122 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -10.510 -0.635 -0.362 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -10.053 -0.134 1.254 1.00 0.00 H new ATOM 570 N GLY A 56 -11.283 4.306 -1.666 1.00 0.00 N ATOM 571 CA GLY A 56 -11.604 4.871 -2.947 1.00 0.00 C ATOM 572 C GLY A 56 -10.353 5.052 -3.766 1.00 0.00 C ATOM 573 O GLY A 56 -10.378 4.975 -4.995 1.00 0.00 O ATOM 0 H GLY A 56 -11.063 4.992 -0.944 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -12.301 4.220 -3.475 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -12.102 5.831 -2.814 1.00 0.00 H new ATOM 577 N SER A 57 -9.250 5.253 -3.083 1.00 0.00 N ATOM 578 CA SER A 57 -7.976 5.438 -3.702 1.00 0.00 C ATOM 579 C SER A 57 -6.908 5.055 -2.706 1.00 0.00 C ATOM 580 O SER A 57 -7.138 5.114 -1.502 1.00 0.00 O ATOM 581 CB SER A 57 -7.806 6.895 -4.208 1.00 0.00 C ATOM 582 OG SER A 57 -8.035 7.856 -3.197 1.00 0.00 O ATOM 0 H SER A 57 -9.222 5.292 -2.064 1.00 0.00 H new ATOM 0 HA SER A 57 -7.890 4.800 -4.582 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.798 7.022 -4.603 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.496 7.071 -5.033 1.00 0.00 H new ATOM 0 HG SER A 57 -8.920 7.710 -2.801 1.00 0.00 H new ATOM 588 N VAL A 58 -5.783 4.611 -3.181 1.00 0.00 N ATOM 589 CA VAL A 58 -4.706 4.207 -2.305 1.00 0.00 C ATOM 590 C VAL A 58 -3.464 4.922 -2.757 1.00 0.00 C ATOM 591 O VAL A 58 -3.279 5.105 -3.955 1.00 0.00 O ATOM 592 CB VAL A 58 -4.450 2.670 -2.399 1.00 0.00 C ATOM 593 CG1 VAL A 58 -3.379 2.228 -1.415 1.00 0.00 C ATOM 594 CG2 VAL A 58 -5.731 1.873 -2.204 1.00 0.00 C ATOM 0 H VAL A 58 -5.579 4.516 -4.176 1.00 0.00 H new ATOM 0 HA VAL A 58 -4.968 4.451 -1.275 1.00 0.00 H new ATOM 0 HB VAL A 58 -4.087 2.465 -3.406 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.224 1.153 -1.505 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.447 2.749 -1.634 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -3.697 2.465 -0.400 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -5.511 0.808 -2.276 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -6.149 2.091 -1.221 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -6.451 2.148 -2.974 1.00 0.00 H new ATOM 604 N CYS A 59 -2.634 5.343 -1.846 1.00 0.00 N ATOM 605 CA CYS A 59 -1.407 5.971 -2.232 1.00 0.00 C ATOM 606 C CYS A 59 -0.314 5.638 -1.254 1.00 0.00 C ATOM 607 O CYS A 59 -0.572 5.378 -0.062 1.00 0.00 O ATOM 608 CB CYS A 59 -1.550 7.493 -2.371 1.00 0.00 C ATOM 609 SG CYS A 59 -0.071 8.281 -3.100 1.00 0.00 S ATOM 0 H CYS A 59 -2.784 5.263 -0.840 1.00 0.00 H new ATOM 0 HA CYS A 59 -1.142 5.579 -3.214 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -2.418 7.716 -2.991 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -1.740 7.926 -1.389 1.00 0.00 H new ATOM 614 N VAL A 60 0.882 5.605 -1.752 1.00 0.00 N ATOM 615 CA VAL A 60 2.037 5.402 -0.939 1.00 0.00 C ATOM 616 C VAL A 60 2.841 6.687 -0.984 1.00 0.00 C ATOM 617 O VAL A 60 3.153 7.173 -2.076 1.00 0.00 O ATOM 618 CB VAL A 60 2.907 4.223 -1.449 1.00 0.00 C ATOM 619 CG1 VAL A 60 4.124 4.012 -0.556 1.00 0.00 C ATOM 620 CG2 VAL A 60 2.084 2.952 -1.520 1.00 0.00 C ATOM 0 H VAL A 60 1.085 5.720 -2.745 1.00 0.00 H new ATOM 0 HA VAL A 60 1.729 5.151 0.076 1.00 0.00 H new ATOM 0 HB VAL A 60 3.259 4.473 -2.450 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.715 3.180 -0.937 1.00 0.00 H new ATOM 0 HG12 VAL A 60 4.732 4.916 -0.550 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.796 3.789 0.459 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.708 2.134 -1.879 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.703 2.709 -0.528 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.248 3.098 -2.204 1.00 0.00 H new ATOM 630 N PRO A 61 3.123 7.291 0.176 1.00 0.00 N ATOM 631 CA PRO A 61 3.914 8.518 0.252 1.00 0.00 C ATOM 632 C PRO A 61 5.291 8.338 -0.389 1.00 0.00 C ATOM 633 O PRO A 61 5.920 7.269 -0.263 1.00 0.00 O ATOM 634 CB PRO A 61 4.039 8.795 1.759 1.00 0.00 C ATOM 635 CG PRO A 61 3.600 7.542 2.439 1.00 0.00 C ATOM 636 CD PRO A 61 2.681 6.836 1.493 1.00 0.00 C ATOM 0 HA PRO A 61 3.447 9.342 -0.288 1.00 0.00 H new ATOM 0 HB2 PRO A 61 5.065 9.047 2.027 1.00 0.00 H new ATOM 0 HB3 PRO A 61 3.416 9.639 2.055 1.00 0.00 H new ATOM 0 HG2 PRO A 61 4.457 6.915 2.685 1.00 0.00 H new ATOM 0 HG3 PRO A 61 3.091 7.769 3.376 1.00 0.00 H new ATOM 0 HD2 PRO A 61 2.761 5.753 1.590 1.00 0.00 H new ATOM 0 HD3 PRO A 61 1.639 7.097 1.678 1.00 0.00 H new ATOM 644 N PHE A 62 5.745 9.351 -1.090 1.00 0.00 N ATOM 645 CA PHE A 62 6.999 9.277 -1.782 1.00 0.00 C ATOM 646 C PHE A 62 8.143 9.364 -0.816 1.00 0.00 C ATOM 647 O PHE A 62 8.402 10.410 -0.222 1.00 0.00 O ATOM 648 CB PHE A 62 7.130 10.356 -2.854 1.00 0.00 C ATOM 649 CG PHE A 62 8.418 10.257 -3.639 1.00 0.00 C ATOM 650 CD1 PHE A 62 9.435 11.180 -3.459 1.00 0.00 C ATOM 651 CD2 PHE A 62 8.611 9.230 -4.548 1.00 0.00 C ATOM 652 CE1 PHE A 62 10.612 11.080 -4.176 1.00 0.00 C ATOM 653 CE2 PHE A 62 9.783 9.127 -5.263 1.00 0.00 C ATOM 654 CZ PHE A 62 10.784 10.053 -5.079 1.00 0.00 C ATOM 0 H PHE A 62 5.256 10.240 -1.193 1.00 0.00 H new ATOM 0 HA PHE A 62 7.030 8.310 -2.285 1.00 0.00 H new ATOM 0 HB2 PHE A 62 6.286 10.283 -3.540 1.00 0.00 H new ATOM 0 HB3 PHE A 62 7.073 11.337 -2.383 1.00 0.00 H new ATOM 0 HD1 PHE A 62 9.307 11.986 -2.751 1.00 0.00 H new ATOM 0 HD2 PHE A 62 7.830 8.499 -4.698 1.00 0.00 H new ATOM 0 HE1 PHE A 62 11.397 11.807 -4.029 1.00 0.00 H new ATOM 0 HE2 PHE A 62 9.917 8.320 -5.968 1.00 0.00 H new ATOM 0 HZ PHE A 62 11.703 9.975 -5.641 1.00 0.00 H new ATOM 664 N VAL A 63 8.812 8.275 -0.648 1.00 0.00 N ATOM 665 CA VAL A 63 9.929 8.241 0.208 1.00 0.00 C ATOM 666 C VAL A 63 11.172 8.480 -0.611 1.00 0.00 C ATOM 667 O VAL A 63 11.512 7.685 -1.481 1.00 0.00 O ATOM 668 CB VAL A 63 10.044 6.866 0.927 1.00 0.00 C ATOM 669 CG1 VAL A 63 11.208 6.844 1.895 1.00 0.00 C ATOM 670 CG2 VAL A 63 8.746 6.511 1.637 1.00 0.00 C ATOM 0 H VAL A 63 8.594 7.389 -1.103 1.00 0.00 H new ATOM 0 HA VAL A 63 9.813 9.014 0.968 1.00 0.00 H new ATOM 0 HB VAL A 63 10.232 6.112 0.163 1.00 0.00 H new ATOM 0 HG11 VAL A 63 11.259 5.869 2.380 1.00 0.00 H new ATOM 0 HG12 VAL A 63 12.135 7.029 1.353 1.00 0.00 H new ATOM 0 HG13 VAL A 63 11.068 7.618 2.650 1.00 0.00 H new ATOM 0 HG21 VAL A 63 8.854 5.545 2.131 1.00 0.00 H new ATOM 0 HG22 VAL A 63 8.517 7.275 2.380 1.00 0.00 H new ATOM 0 HG23 VAL A 63 7.936 6.458 0.909 1.00 0.00 H new ATOM 680 N ASN A 64 11.807 9.586 -0.352 1.00 0.00 N ATOM 681 CA ASN A 64 13.092 9.896 -0.919 1.00 0.00 C ATOM 682 C ASN A 64 14.055 9.886 0.218 1.00 0.00 C ATOM 683 O ASN A 64 14.214 10.879 0.945 1.00 0.00 O ATOM 684 CB ASN A 64 13.096 11.250 -1.633 1.00 0.00 C ATOM 685 CG ASN A 64 14.472 11.636 -2.159 1.00 0.00 C ATOM 686 OD1 ASN A 64 15.241 12.320 -1.476 1.00 0.00 O ATOM 687 ND2 ASN A 64 14.803 11.181 -3.338 1.00 0.00 N ATOM 0 H ASN A 64 11.443 10.310 0.268 1.00 0.00 H new ATOM 0 HA ASN A 64 13.362 9.165 -1.681 1.00 0.00 H new ATOM 0 HB2 ASN A 64 12.390 11.220 -2.463 1.00 0.00 H new ATOM 0 HB3 ASN A 64 12.746 12.019 -0.945 1.00 0.00 H new ATOM 0 HD21 ASN A 64 15.724 11.388 -3.724 1.00 0.00 H new ATOM 0 HD22 ASN A 64 14.140 10.619 -3.872 1.00 0.00 H new ATOM 694 N ASP A 65 14.584 8.742 0.468 1.00 0.00 N ATOM 695 CA ASP A 65 15.392 8.537 1.628 1.00 0.00 C ATOM 696 C ASP A 65 16.723 7.939 1.249 1.00 0.00 C ATOM 697 O ASP A 65 16.807 7.193 0.261 1.00 0.00 O ATOM 698 CB ASP A 65 14.664 7.664 2.647 1.00 0.00 C ATOM 699 CG ASP A 65 15.104 7.959 4.050 1.00 0.00 C ATOM 700 OD1 ASP A 65 16.241 7.647 4.408 1.00 0.00 O ATOM 701 OD2 ASP A 65 14.316 8.561 4.811 1.00 0.00 O ATOM 0 H ASP A 65 14.472 7.918 -0.123 1.00 0.00 H new ATOM 0 HA ASP A 65 15.579 9.505 2.093 1.00 0.00 H new ATOM 0 HB2 ASP A 65 13.589 7.825 2.562 1.00 0.00 H new ATOM 0 HB3 ASP A 65 14.847 6.613 2.422 1.00 0.00 H new ATOM 706 N THR A 66 17.766 8.316 1.979 1.00 0.00 N ATOM 707 CA THR A 66 19.124 7.801 1.809 1.00 0.00 C ATOM 708 C THR A 66 19.186 6.260 2.100 1.00 0.00 C ATOM 709 O THR A 66 20.235 5.615 1.960 1.00 0.00 O ATOM 710 CB THR A 66 20.063 8.562 2.767 1.00 0.00 C ATOM 711 OG1 THR A 66 19.791 9.970 2.651 1.00 0.00 O ATOM 712 CG2 THR A 66 21.533 8.326 2.426 1.00 0.00 C ATOM 0 H THR A 66 17.691 9.007 2.726 1.00 0.00 H new ATOM 0 HA THR A 66 19.438 7.953 0.776 1.00 0.00 H new ATOM 0 HB THR A 66 19.883 8.200 3.779 1.00 0.00 H new ATOM 0 HG1 THR A 66 20.380 10.468 3.256 1.00 0.00 H new ATOM 0 HG21 THR A 66 22.162 8.879 3.124 1.00 0.00 H new ATOM 0 HG22 THR A 66 21.757 7.262 2.500 1.00 0.00 H new ATOM 0 HG23 THR A 66 21.730 8.668 1.410 1.00 0.00 H new ATOM 720 N LYS A 67 18.084 5.705 2.578 1.00 0.00 N ATOM 721 CA LYS A 67 17.931 4.267 2.734 1.00 0.00 C ATOM 722 C LYS A 67 18.051 3.613 1.355 1.00 0.00 C ATOM 723 O LYS A 67 17.784 4.258 0.345 1.00 0.00 O ATOM 724 CB LYS A 67 16.559 3.963 3.337 1.00 0.00 C ATOM 725 CG LYS A 67 16.360 4.521 4.731 1.00 0.00 C ATOM 726 CD LYS A 67 17.294 3.873 5.733 1.00 0.00 C ATOM 727 CE LYS A 67 17.100 4.454 7.116 1.00 0.00 C ATOM 728 NZ LYS A 67 18.001 3.833 8.105 1.00 0.00 N ATOM 0 H LYS A 67 17.267 6.241 2.870 1.00 0.00 H new ATOM 0 HA LYS A 67 18.702 3.875 3.397 1.00 0.00 H new ATOM 0 HB2 LYS A 67 15.788 4.368 2.681 1.00 0.00 H new ATOM 0 HB3 LYS A 67 16.418 2.883 3.366 1.00 0.00 H new ATOM 0 HG2 LYS A 67 16.529 5.598 4.719 1.00 0.00 H new ATOM 0 HG3 LYS A 67 15.327 4.364 5.042 1.00 0.00 H new ATOM 0 HD2 LYS A 67 17.115 2.798 5.759 1.00 0.00 H new ATOM 0 HD3 LYS A 67 18.327 4.017 5.417 1.00 0.00 H new ATOM 0 HE2 LYS A 67 17.279 5.529 7.087 1.00 0.00 H new ATOM 0 HE3 LYS A 67 16.065 4.311 7.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 17.837 4.259 9.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 17.813 2.811 8.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 18.989 3.991 7.822 1.00 0.00 H new ATOM 742 N ARG A 68 18.458 2.370 1.298 1.00 0.00 N ATOM 743 CA ARG A 68 18.647 1.734 0.002 1.00 0.00 C ATOM 744 C ARG A 68 17.362 1.088 -0.439 1.00 0.00 C ATOM 745 O ARG A 68 17.091 0.965 -1.623 1.00 0.00 O ATOM 746 CB ARG A 68 19.710 0.657 0.059 1.00 0.00 C ATOM 747 CG ARG A 68 21.029 1.065 0.652 1.00 0.00 C ATOM 748 CD ARG A 68 22.022 -0.077 0.556 1.00 0.00 C ATOM 749 NE ARG A 68 21.518 -1.335 1.160 1.00 0.00 N ATOM 750 CZ ARG A 68 22.299 -2.361 1.546 1.00 0.00 C ATOM 751 NH1 ARG A 68 23.626 -2.276 1.434 1.00 0.00 N ATOM 752 NH2 ARG A 68 21.753 -3.455 2.056 1.00 0.00 N ATOM 0 H ARG A 68 18.663 1.784 2.107 1.00 0.00 H new ATOM 0 HA ARG A 68 18.958 2.510 -0.698 1.00 0.00 H new ATOM 0 HB2 ARG A 68 19.319 -0.182 0.635 1.00 0.00 H new ATOM 0 HB3 ARG A 68 19.886 0.294 -0.954 1.00 0.00 H new ATOM 0 HG2 ARG A 68 21.417 1.939 0.128 1.00 0.00 H new ATOM 0 HG3 ARG A 68 20.894 1.352 1.695 1.00 0.00 H new ATOM 0 HD2 ARG A 68 22.263 -0.255 -0.492 1.00 0.00 H new ATOM 0 HD3 ARG A 68 22.949 0.212 1.052 1.00 0.00 H new ATOM 0 HE ARG A 68 20.511 -1.429 1.292 1.00 0.00 H new ATOM 0 HH11 ARG A 68 24.053 -1.431 1.055 1.00 0.00 H new ATOM 0 HH12 ARG A 68 24.214 -3.056 1.728 1.00 0.00 H new ATOM 0 HH21 ARG A 68 20.740 -3.520 2.156 1.00 0.00 H new ATOM 0 HH22 ARG A 68 22.346 -4.232 2.348 1.00 0.00 H new ATOM 766 N GLU A 69 16.571 0.686 0.522 1.00 0.00 N ATOM 767 CA GLU A 69 15.342 0.015 0.240 1.00 0.00 C ATOM 768 C GLU A 69 14.184 0.962 0.480 1.00 0.00 C ATOM 769 O GLU A 69 14.098 1.601 1.527 1.00 0.00 O ATOM 770 CB GLU A 69 15.152 -1.259 1.105 1.00 0.00 C ATOM 771 CG GLU A 69 16.225 -2.365 0.974 1.00 0.00 C ATOM 772 CD GLU A 69 17.559 -2.004 1.592 1.00 0.00 C ATOM 773 OE1 GLU A 69 17.589 -1.709 2.798 1.00 0.00 O ATOM 774 OE2 GLU A 69 18.593 -2.045 0.901 1.00 0.00 O ATOM 0 H GLU A 69 16.765 0.817 1.515 1.00 0.00 H new ATOM 0 HA GLU A 69 15.372 -0.298 -0.804 1.00 0.00 H new ATOM 0 HB2 GLU A 69 15.106 -0.954 2.151 1.00 0.00 H new ATOM 0 HB3 GLU A 69 14.184 -1.695 0.857 1.00 0.00 H new ATOM 0 HG2 GLU A 69 15.853 -3.276 1.444 1.00 0.00 H new ATOM 0 HG3 GLU A 69 16.374 -2.589 -0.082 1.00 0.00 H new ATOM 781 N ARG A 70 13.327 1.071 -0.479 1.00 0.00 N ATOM 782 CA ARG A 70 12.136 1.876 -0.369 1.00 0.00 C ATOM 783 C ARG A 70 10.951 0.966 -0.121 1.00 0.00 C ATOM 784 O ARG A 70 10.996 -0.199 -0.469 1.00 0.00 O ATOM 785 CB ARG A 70 11.917 2.749 -1.617 1.00 0.00 C ATOM 786 CG ARG A 70 12.481 4.170 -1.511 1.00 0.00 C ATOM 787 CD ARG A 70 13.985 4.204 -1.321 1.00 0.00 C ATOM 788 NE ARG A 70 14.700 3.629 -2.462 1.00 0.00 N ATOM 789 CZ ARG A 70 15.930 3.980 -2.860 1.00 0.00 C ATOM 790 NH1 ARG A 70 16.651 4.845 -2.158 1.00 0.00 N ATOM 791 NH2 ARG A 70 16.446 3.439 -3.951 1.00 0.00 N ATOM 0 H ARG A 70 13.427 0.600 -1.378 1.00 0.00 H new ATOM 0 HA ARG A 70 12.250 2.562 0.470 1.00 0.00 H new ATOM 0 HB2 ARG A 70 12.374 2.254 -2.474 1.00 0.00 H new ATOM 0 HB3 ARG A 70 10.847 2.811 -1.817 1.00 0.00 H new ATOM 0 HG2 ARG A 70 12.223 4.724 -2.413 1.00 0.00 H new ATOM 0 HG3 ARG A 70 12.004 4.682 -0.675 1.00 0.00 H new ATOM 0 HD2 ARG A 70 14.308 5.235 -1.174 1.00 0.00 H new ATOM 0 HD3 ARG A 70 14.248 3.656 -0.416 1.00 0.00 H new ATOM 0 HE ARG A 70 14.223 2.903 -2.997 1.00 0.00 H new ATOM 0 HH11 ARG A 70 16.270 5.252 -1.304 1.00 0.00 H new ATOM 0 HH12 ARG A 70 17.586 5.103 -2.473 1.00 0.00 H new ATOM 0 HH21 ARG A 70 15.908 2.757 -4.486 1.00 0.00 H new ATOM 0 HH22 ARG A 70 17.382 3.703 -4.258 1.00 0.00 H new ATOM 805 N PRO A 71 9.895 1.452 0.511 1.00 0.00 N ATOM 806 CA PRO A 71 8.747 0.620 0.818 1.00 0.00 C ATOM 807 C PRO A 71 7.810 0.445 -0.386 1.00 0.00 C ATOM 808 O PRO A 71 7.585 1.381 -1.167 1.00 0.00 O ATOM 809 CB PRO A 71 8.082 1.385 1.953 1.00 0.00 C ATOM 810 CG PRO A 71 8.362 2.815 1.647 1.00 0.00 C ATOM 811 CD PRO A 71 9.712 2.841 0.979 1.00 0.00 C ATOM 0 HA PRO A 71 9.019 -0.402 1.083 1.00 0.00 H new ATOM 0 HB2 PRO A 71 7.010 1.189 1.991 1.00 0.00 H new ATOM 0 HB3 PRO A 71 8.493 1.098 2.921 1.00 0.00 H new ATOM 0 HG2 PRO A 71 7.595 3.231 0.993 1.00 0.00 H new ATOM 0 HG3 PRO A 71 8.365 3.415 2.557 1.00 0.00 H new ATOM 0 HD2 PRO A 71 9.736 3.549 0.151 1.00 0.00 H new ATOM 0 HD3 PRO A 71 10.498 3.137 1.674 1.00 0.00 H new ATOM 819 N TYR A 72 7.284 -0.748 -0.527 1.00 0.00 N ATOM 820 CA TYR A 72 6.393 -1.090 -1.608 1.00 0.00 C ATOM 821 C TYR A 72 5.216 -1.827 -0.974 1.00 0.00 C ATOM 822 O TYR A 72 5.414 -2.637 -0.081 1.00 0.00 O ATOM 823 CB TYR A 72 7.138 -1.994 -2.608 1.00 0.00 C ATOM 824 CG TYR A 72 6.485 -2.113 -3.967 1.00 0.00 C ATOM 825 CD1 TYR A 72 6.923 -1.334 -5.029 1.00 0.00 C ATOM 826 CD2 TYR A 72 5.438 -2.990 -4.191 1.00 0.00 C ATOM 827 CE1 TYR A 72 6.335 -1.427 -6.272 1.00 0.00 C ATOM 828 CE2 TYR A 72 4.846 -3.088 -5.430 1.00 0.00 C ATOM 829 CZ TYR A 72 5.297 -2.307 -6.467 1.00 0.00 C ATOM 830 OH TYR A 72 4.697 -2.397 -7.706 1.00 0.00 O ATOM 0 H TYR A 72 7.466 -1.519 0.115 1.00 0.00 H new ATOM 0 HA TYR A 72 6.044 -0.212 -2.152 1.00 0.00 H new ATOM 0 HB2 TYR A 72 8.149 -1.610 -2.739 1.00 0.00 H new ATOM 0 HB3 TYR A 72 7.229 -2.991 -2.176 1.00 0.00 H new ATOM 0 HD1 TYR A 72 7.739 -0.643 -4.879 1.00 0.00 H new ATOM 0 HD2 TYR A 72 5.080 -3.607 -3.381 1.00 0.00 H new ATOM 0 HE1 TYR A 72 6.687 -0.813 -7.087 1.00 0.00 H new ATOM 0 HE2 TYR A 72 4.029 -3.777 -5.587 1.00 0.00 H new ATOM 0 HH TYR A 72 3.982 -3.066 -7.675 1.00 0.00 H new ATOM 840 N TRP A 73 4.022 -1.553 -1.393 1.00 0.00 N ATOM 841 CA TRP A 73 2.875 -2.104 -0.735 1.00 0.00 C ATOM 842 C TRP A 73 2.032 -2.949 -1.663 1.00 0.00 C ATOM 843 O TRP A 73 1.818 -2.595 -2.821 1.00 0.00 O ATOM 844 CB TRP A 73 2.064 -0.977 -0.116 1.00 0.00 C ATOM 845 CG TRP A 73 2.791 -0.275 1.000 1.00 0.00 C ATOM 846 CD1 TRP A 73 3.698 0.740 0.898 1.00 0.00 C ATOM 847 CD2 TRP A 73 2.656 -0.545 2.384 1.00 0.00 C ATOM 848 NE1 TRP A 73 4.127 1.113 2.145 1.00 0.00 N ATOM 849 CE2 TRP A 73 3.496 0.341 3.076 1.00 0.00 C ATOM 850 CE3 TRP A 73 1.894 -1.448 3.102 1.00 0.00 C ATOM 851 CZ2 TRP A 73 3.590 0.343 4.463 1.00 0.00 C ATOM 852 CZ3 TRP A 73 1.976 -1.450 4.470 1.00 0.00 C ATOM 853 CH2 TRP A 73 2.818 -0.557 5.143 1.00 0.00 C ATOM 0 H TRP A 73 3.813 -0.950 -2.189 1.00 0.00 H new ATOM 0 HA TRP A 73 3.218 -2.775 0.053 1.00 0.00 H new ATOM 0 HB2 TRP A 73 1.810 -0.252 -0.889 1.00 0.00 H new ATOM 0 HB3 TRP A 73 1.125 -1.379 0.265 1.00 0.00 H new ATOM 0 HD1 TRP A 73 4.029 1.184 -0.029 1.00 0.00 H new ATOM 0 HE1 TRP A 73 4.806 1.847 2.344 1.00 0.00 H new ATOM 0 HE3 TRP A 73 1.243 -2.142 2.592 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 4.246 1.027 4.982 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 1.382 -2.151 5.037 1.00 0.00 H new ATOM 0 HH2 TRP A 73 2.859 -0.580 6.222 1.00 0.00 H new ATOM 864 N TYR A 74 1.599 -4.073 -1.164 1.00 0.00 N ATOM 865 CA TYR A 74 0.737 -4.975 -1.886 1.00 0.00 C ATOM 866 C TYR A 74 -0.596 -5.108 -1.192 1.00 0.00 C ATOM 867 O TYR A 74 -0.665 -5.158 0.038 1.00 0.00 O ATOM 868 CB TYR A 74 1.380 -6.342 -2.055 1.00 0.00 C ATOM 869 CG TYR A 74 2.373 -6.428 -3.190 1.00 0.00 C ATOM 870 CD1 TYR A 74 1.944 -6.645 -4.493 1.00 0.00 C ATOM 871 CD2 TYR A 74 3.723 -6.318 -2.964 1.00 0.00 C ATOM 872 CE1 TYR A 74 2.838 -6.750 -5.534 1.00 0.00 C ATOM 873 CE2 TYR A 74 4.630 -6.415 -3.996 1.00 0.00 C ATOM 874 CZ TYR A 74 4.186 -6.635 -5.280 1.00 0.00 C ATOM 875 OH TYR A 74 5.101 -6.755 -6.311 1.00 0.00 O ATOM 0 H TYR A 74 1.838 -4.397 -0.227 1.00 0.00 H new ATOM 0 HA TYR A 74 0.577 -4.553 -2.878 1.00 0.00 H new ATOM 0 HB2 TYR A 74 1.884 -6.610 -1.126 1.00 0.00 H new ATOM 0 HB3 TYR A 74 0.596 -7.081 -2.218 1.00 0.00 H new ATOM 0 HD1 TYR A 74 0.886 -6.733 -4.694 1.00 0.00 H new ATOM 0 HD2 TYR A 74 4.080 -6.152 -1.958 1.00 0.00 H new ATOM 0 HE1 TYR A 74 2.485 -6.921 -6.540 1.00 0.00 H new ATOM 0 HE2 TYR A 74 5.687 -6.319 -3.798 1.00 0.00 H new ATOM 0 HH TYR A 74 6.008 -6.646 -5.957 1.00 0.00 H new ATOM 885 N LEU A 75 -1.636 -5.218 -1.973 1.00 0.00 N ATOM 886 CA LEU A 75 -2.988 -5.270 -1.468 1.00 0.00 C ATOM 887 C LEU A 75 -3.627 -6.515 -2.035 1.00 0.00 C ATOM 888 O LEU A 75 -3.334 -6.891 -3.182 1.00 0.00 O ATOM 889 CB LEU A 75 -3.768 -4.039 -1.981 1.00 0.00 C ATOM 890 CG LEU A 75 -3.038 -2.683 -1.901 1.00 0.00 C ATOM 891 CD1 LEU A 75 -3.888 -1.567 -2.462 1.00 0.00 C ATOM 892 CD2 LEU A 75 -2.628 -2.355 -0.487 1.00 0.00 C ATOM 0 H LEU A 75 -1.572 -5.275 -2.989 1.00 0.00 H new ATOM 0 HA LEU A 75 -2.996 -5.278 -0.378 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.044 -4.218 -3.020 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -4.696 -3.962 -1.414 1.00 0.00 H new ATOM 0 HG LEU A 75 -2.137 -2.774 -2.507 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.345 -0.625 -2.391 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.118 -1.775 -3.507 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -4.815 -1.495 -1.894 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.117 -1.393 -0.470 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.514 -2.306 0.147 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.957 -3.129 -0.114 1.00 0.00 H new ATOM 904 N PHE A 76 -4.449 -7.171 -1.239 1.00 0.00 N ATOM 905 CA PHE A 76 -5.088 -8.416 -1.635 1.00 0.00 C ATOM 906 C PHE A 76 -6.558 -8.374 -1.290 1.00 0.00 C ATOM 907 O PHE A 76 -6.946 -7.855 -0.228 1.00 0.00 O ATOM 908 CB PHE A 76 -4.432 -9.603 -0.918 1.00 0.00 C ATOM 909 CG PHE A 76 -2.969 -9.736 -1.190 1.00 0.00 C ATOM 910 CD1 PHE A 76 -2.512 -10.545 -2.209 1.00 0.00 C ATOM 911 CD2 PHE A 76 -2.047 -9.034 -0.432 1.00 0.00 C ATOM 912 CE1 PHE A 76 -1.172 -10.648 -2.466 1.00 0.00 C ATOM 913 CE2 PHE A 76 -0.707 -9.137 -0.689 1.00 0.00 C ATOM 914 CZ PHE A 76 -0.269 -9.943 -1.708 1.00 0.00 C ATOM 0 H PHE A 76 -4.694 -6.858 -0.300 1.00 0.00 H new ATOM 0 HA PHE A 76 -4.970 -8.538 -2.712 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -4.584 -9.496 0.156 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -4.934 -10.522 -1.222 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -3.217 -11.101 -2.809 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -2.389 -8.398 0.371 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -0.824 -11.285 -3.266 1.00 0.00 H new ATOM 0 HE2 PHE A 76 0.003 -8.585 -0.091 1.00 0.00 H new ATOM 0 HZ PHE A 76 0.788 -10.024 -1.915 1.00 0.00 H new ATOM 924 N ASP A 77 -7.376 -8.925 -2.157 1.00 0.00 N ATOM 925 CA ASP A 77 -8.832 -8.908 -1.957 1.00 0.00 C ATOM 926 C ASP A 77 -9.291 -10.039 -1.081 1.00 0.00 C ATOM 927 O ASP A 77 -10.462 -10.089 -0.696 1.00 0.00 O ATOM 928 CB ASP A 77 -9.622 -8.913 -3.274 1.00 0.00 C ATOM 929 CG ASP A 77 -9.942 -10.293 -3.830 1.00 0.00 C ATOM 930 OD1 ASP A 77 -11.130 -10.710 -3.772 1.00 0.00 O ATOM 931 OD2 ASP A 77 -9.041 -10.964 -4.343 1.00 0.00 O ATOM 0 H ASP A 77 -7.072 -9.393 -3.011 1.00 0.00 H new ATOM 0 HA ASP A 77 -9.042 -7.965 -1.453 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -10.557 -8.374 -3.121 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -9.054 -8.360 -4.022 1.00 0.00 H new ATOM 936 N ASN A 78 -8.393 -10.918 -0.720 1.00 0.00 N ATOM 937 CA ASN A 78 -8.728 -11.968 0.178 1.00 0.00 C ATOM 938 C ASN A 78 -7.676 -12.033 1.256 1.00 0.00 C ATOM 939 O ASN A 78 -6.609 -11.444 1.103 1.00 0.00 O ATOM 940 CB ASN A 78 -8.920 -13.309 -0.515 1.00 0.00 C ATOM 941 CG ASN A 78 -9.716 -14.211 0.382 1.00 0.00 C ATOM 942 OD1 ASN A 78 -9.182 -15.041 1.113 1.00 0.00 O ATOM 943 ND2 ASN A 78 -10.982 -13.977 0.410 1.00 0.00 N ATOM 0 H ASN A 78 -7.425 -10.919 -1.040 1.00 0.00 H new ATOM 0 HA ASN A 78 -9.697 -11.745 0.625 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -9.436 -13.172 -1.465 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -7.953 -13.759 -0.740 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -11.581 -14.490 1.057 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -11.386 -13.279 -0.215 1.00 0.00 H new ATOM 950 N VAL A 79 -7.983 -12.681 2.357 1.00 0.00 N ATOM 951 CA VAL A 79 -7.094 -12.743 3.490 1.00 0.00 C ATOM 952 C VAL A 79 -5.921 -13.664 3.205 1.00 0.00 C ATOM 953 O VAL A 79 -5.925 -14.393 2.200 1.00 0.00 O ATOM 954 CB VAL A 79 -7.826 -13.203 4.775 1.00 0.00 C ATOM 955 CG1 VAL A 79 -8.982 -12.265 5.090 1.00 0.00 C ATOM 956 CG2 VAL A 79 -8.317 -14.642 4.644 1.00 0.00 C ATOM 0 H VAL A 79 -8.862 -13.182 2.490 1.00 0.00 H new ATOM 0 HA VAL A 79 -6.722 -11.732 3.659 1.00 0.00 H new ATOM 0 HB VAL A 79 -7.116 -13.169 5.601 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -9.487 -12.601 5.996 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -8.600 -11.255 5.241 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -9.688 -12.266 4.259 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -8.827 -14.937 5.561 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -9.008 -14.716 3.805 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -7.467 -15.302 4.473 1.00 0.00 H new ATOM 966 N ASN A 80 -4.912 -13.599 4.063 1.00 0.00 N ATOM 967 CA ASN A 80 -3.696 -14.420 3.955 1.00 0.00 C ATOM 968 C ASN A 80 -2.994 -14.220 2.630 1.00 0.00 C ATOM 969 O ASN A 80 -2.286 -15.106 2.150 1.00 0.00 O ATOM 970 CB ASN A 80 -3.993 -15.913 4.196 1.00 0.00 C ATOM 971 CG ASN A 80 -4.246 -16.231 5.649 1.00 0.00 C ATOM 972 OD1 ASN A 80 -3.313 -16.488 6.416 1.00 0.00 O ATOM 973 ND2 ASN A 80 -5.477 -16.246 6.038 1.00 0.00 N ATOM 0 H ASN A 80 -4.907 -12.970 4.866 1.00 0.00 H new ATOM 0 HA ASN A 80 -3.021 -14.081 4.741 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -4.863 -16.205 3.608 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -3.152 -16.508 3.839 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -5.703 -16.475 7.006 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -6.223 -16.029 5.378 1.00 0.00 H new ATOM 980 N TYR A 81 -3.141 -13.010 2.092 1.00 0.00 N ATOM 981 CA TYR A 81 -2.495 -12.572 0.860 1.00 0.00 C ATOM 982 C TYR A 81 -2.902 -13.445 -0.328 1.00 0.00 C ATOM 983 O TYR A 81 -2.090 -13.742 -1.205 1.00 0.00 O ATOM 984 CB TYR A 81 -0.958 -12.528 1.040 1.00 0.00 C ATOM 985 CG TYR A 81 -0.535 -11.817 2.316 1.00 0.00 C ATOM 986 CD1 TYR A 81 0.396 -12.380 3.185 1.00 0.00 C ATOM 987 CD2 TYR A 81 -1.106 -10.612 2.675 1.00 0.00 C ATOM 988 CE1 TYR A 81 0.737 -11.752 4.361 1.00 0.00 C ATOM 989 CE2 TYR A 81 -0.763 -9.985 3.837 1.00 0.00 C ATOM 990 CZ TYR A 81 0.153 -10.555 4.679 1.00 0.00 C ATOM 991 OH TYR A 81 0.484 -9.922 5.842 1.00 0.00 O ATOM 0 H TYR A 81 -3.728 -12.290 2.513 1.00 0.00 H new ATOM 0 HA TYR A 81 -2.836 -11.560 0.639 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -0.569 -13.546 1.050 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -0.511 -12.024 0.183 1.00 0.00 H new ATOM 0 HD1 TYR A 81 0.857 -13.323 2.932 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -1.838 -10.157 2.024 1.00 0.00 H new ATOM 0 HE1 TYR A 81 1.459 -12.200 5.028 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -1.215 -9.038 4.093 1.00 0.00 H new ATOM 0 HH TYR A 81 1.409 -10.141 6.082 1.00 0.00 H new ATOM 1001 N THR A 82 -4.165 -13.805 -0.380 1.00 0.00 N ATOM 1002 CA THR A 82 -4.656 -14.612 -1.467 1.00 0.00 C ATOM 1003 C THR A 82 -5.610 -13.795 -2.332 1.00 0.00 C ATOM 1004 O THR A 82 -5.989 -12.662 -1.965 1.00 0.00 O ATOM 1005 CB THR A 82 -5.370 -15.905 -0.964 1.00 0.00 C ATOM 1006 OG1 THR A 82 -6.488 -15.583 -0.117 1.00 0.00 O ATOM 1007 CG2 THR A 82 -4.414 -16.790 -0.197 1.00 0.00 C ATOM 0 H THR A 82 -4.866 -13.551 0.316 1.00 0.00 H new ATOM 0 HA THR A 82 -3.795 -14.922 -2.059 1.00 0.00 H new ATOM 0 HB THR A 82 -5.727 -16.437 -1.846 1.00 0.00 H new ATOM 0 HG1 THR A 82 -6.171 -15.096 0.672 1.00 0.00 H new ATOM 0 HG21 THR A 82 -4.938 -17.684 0.142 1.00 0.00 H new ATOM 0 HG22 THR A 82 -3.586 -17.078 -0.845 1.00 0.00 H new ATOM 0 HG23 THR A 82 -4.028 -16.247 0.666 1.00 0.00 H new ATOM 1015 N GLY A 83 -5.992 -14.352 -3.455 1.00 0.00 N ATOM 1016 CA GLY A 83 -6.901 -13.686 -4.331 1.00 0.00 C ATOM 1017 C GLY A 83 -6.192 -12.804 -5.316 1.00 0.00 C ATOM 1018 O GLY A 83 -5.181 -13.205 -5.912 1.00 0.00 O ATOM 0 H GLY A 83 -5.682 -15.269 -3.777 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -7.493 -14.426 -4.869 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -7.597 -13.087 -3.744 1.00 0.00 H new ATOM 1022 N ARG A 84 -6.708 -11.629 -5.495 1.00 0.00 N ATOM 1023 CA ARG A 84 -6.152 -10.655 -6.407 1.00 0.00 C ATOM 1024 C ARG A 84 -5.026 -9.900 -5.722 1.00 0.00 C ATOM 1025 O ARG A 84 -5.013 -9.792 -4.495 1.00 0.00 O ATOM 1026 CB ARG A 84 -7.245 -9.697 -6.832 1.00 0.00 C ATOM 1027 CG ARG A 84 -8.357 -10.347 -7.624 1.00 0.00 C ATOM 1028 CD ARG A 84 -9.511 -9.394 -7.818 1.00 0.00 C ATOM 1029 NE ARG A 84 -10.562 -9.982 -8.642 1.00 0.00 N ATOM 1030 CZ ARG A 84 -11.880 -9.874 -8.437 1.00 0.00 C ATOM 1031 NH1 ARG A 84 -12.358 -9.295 -7.329 1.00 0.00 N ATOM 1032 NH2 ARG A 84 -12.709 -10.384 -9.326 1.00 0.00 N ATOM 0 H ARG A 84 -7.543 -11.305 -5.007 1.00 0.00 H new ATOM 0 HA ARG A 84 -5.751 -11.156 -7.288 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -7.670 -9.230 -5.944 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -6.804 -8.900 -7.431 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -7.978 -10.667 -8.595 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -8.703 -11.242 -7.106 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -9.922 -9.117 -6.847 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -9.152 -8.477 -8.286 1.00 0.00 H new ATOM 0 HE ARG A 84 -10.264 -10.527 -9.451 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -11.715 -8.929 -6.627 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -13.365 -9.220 -7.187 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -12.343 -10.852 -10.155 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -13.717 -10.310 -9.185 1.00 0.00 H new ATOM 1046 N ILE A 85 -4.112 -9.360 -6.497 1.00 0.00 N ATOM 1047 CA ILE A 85 -2.960 -8.701 -5.937 1.00 0.00 C ATOM 1048 C ILE A 85 -2.762 -7.336 -6.600 1.00 0.00 C ATOM 1049 O ILE A 85 -2.966 -7.173 -7.807 1.00 0.00 O ATOM 1050 CB ILE A 85 -1.673 -9.583 -6.101 1.00 0.00 C ATOM 1051 CG1 ILE A 85 -0.498 -8.985 -5.333 1.00 0.00 C ATOM 1052 CG2 ILE A 85 -1.291 -9.720 -7.571 1.00 0.00 C ATOM 1053 CD1 ILE A 85 0.747 -9.856 -5.343 1.00 0.00 C ATOM 0 H ILE A 85 -4.147 -9.366 -7.516 1.00 0.00 H new ATOM 0 HA ILE A 85 -3.133 -8.554 -4.871 1.00 0.00 H new ATOM 0 HB ILE A 85 -1.901 -10.568 -5.695 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -0.253 -8.013 -5.761 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -0.801 -8.812 -4.300 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -0.396 -10.336 -7.658 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -2.109 -10.189 -8.117 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -1.095 -8.733 -7.989 1.00 0.00 H new ATOM 0 HD11 ILE A 85 1.539 -9.365 -4.777 1.00 0.00 H new ATOM 0 HD12 ILE A 85 0.520 -10.820 -4.888 1.00 0.00 H new ATOM 0 HD13 ILE A 85 1.076 -10.008 -6.371 1.00 0.00 H new ATOM 1065 N THR A 86 -2.472 -6.355 -5.818 1.00 0.00 N ATOM 1066 CA THR A 86 -2.178 -5.045 -6.338 1.00 0.00 C ATOM 1067 C THR A 86 -0.912 -4.495 -5.701 1.00 0.00 C ATOM 1068 O THR A 86 -0.787 -4.509 -4.487 1.00 0.00 O ATOM 1069 CB THR A 86 -3.390 -4.095 -6.179 1.00 0.00 C ATOM 1070 OG1 THR A 86 -4.480 -4.612 -6.958 1.00 0.00 O ATOM 1071 CG2 THR A 86 -3.069 -2.686 -6.648 1.00 0.00 C ATOM 0 H THR A 86 -2.429 -6.427 -4.801 1.00 0.00 H new ATOM 0 HA THR A 86 -1.991 -5.125 -7.409 1.00 0.00 H new ATOM 0 HB THR A 86 -3.651 -4.044 -5.122 1.00 0.00 H new ATOM 0 HG1 THR A 86 -5.097 -5.100 -6.374 1.00 0.00 H new ATOM 0 HG21 THR A 86 -3.946 -2.051 -6.520 1.00 0.00 H new ATOM 0 HG22 THR A 86 -2.242 -2.286 -6.060 1.00 0.00 H new ATOM 0 HG23 THR A 86 -2.788 -2.708 -7.701 1.00 0.00 H new ATOM 1079 N GLY A 87 0.025 -4.064 -6.516 1.00 0.00 N ATOM 1080 CA GLY A 87 1.258 -3.524 -6.007 1.00 0.00 C ATOM 1081 C GLY A 87 1.391 -2.035 -6.249 1.00 0.00 C ATOM 1082 O GLY A 87 1.287 -1.569 -7.394 1.00 0.00 O ATOM 0 H GLY A 87 -0.047 -4.078 -7.533 1.00 0.00 H new ATOM 0 HA2 GLY A 87 1.321 -3.721 -4.937 1.00 0.00 H new ATOM 0 HA3 GLY A 87 2.096 -4.040 -6.476 1.00 0.00 H new ATOM 1086 N LEU A 88 1.615 -1.294 -5.185 1.00 0.00 N ATOM 1087 CA LEU A 88 1.814 0.149 -5.235 1.00 0.00 C ATOM 1088 C LEU A 88 3.195 0.514 -4.736 1.00 0.00 C ATOM 1089 O LEU A 88 3.728 -0.130 -3.821 1.00 0.00 O ATOM 1090 CB LEU A 88 0.729 0.899 -4.429 1.00 0.00 C ATOM 1091 CG LEU A 88 -0.443 1.489 -5.236 1.00 0.00 C ATOM 1092 CD1 LEU A 88 0.028 2.653 -6.089 1.00 0.00 C ATOM 1093 CD2 LEU A 88 -1.075 0.426 -6.111 1.00 0.00 C ATOM 0 H LEU A 88 1.666 -1.679 -4.242 1.00 0.00 H new ATOM 0 HA LEU A 88 1.727 0.459 -6.276 1.00 0.00 H new ATOM 0 HB2 LEU A 88 0.321 0.213 -3.687 1.00 0.00 H new ATOM 0 HB3 LEU A 88 1.210 1.711 -3.883 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.191 1.853 -4.532 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.814 3.056 -6.651 1.00 0.00 H new ATOM 0 HD12 LEU A 88 0.441 3.431 -5.447 1.00 0.00 H new ATOM 0 HD13 LEU A 88 0.796 2.309 -6.782 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -1.901 0.861 -6.673 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -0.330 0.035 -6.804 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -1.449 -0.385 -5.486 1.00 0.00 H new ATOM 1105 N GLY A 89 3.766 1.535 -5.325 1.00 0.00 N ATOM 1106 CA GLY A 89 5.086 1.959 -4.962 1.00 0.00 C ATOM 1107 C GLY A 89 5.093 3.353 -4.401 1.00 0.00 C ATOM 1108 O GLY A 89 4.084 4.071 -4.490 1.00 0.00 O ATOM 0 H GLY A 89 3.330 2.088 -6.063 1.00 0.00 H new ATOM 0 HA2 GLY A 89 5.499 1.269 -4.226 1.00 0.00 H new ATOM 0 HA3 GLY A 89 5.734 1.917 -5.837 1.00 0.00 H new ATOM 1112 N HIS A 90 6.220 3.742 -3.840 1.00 0.00 N ATOM 1113 CA HIS A 90 6.379 5.046 -3.207 1.00 0.00 C ATOM 1114 C HIS A 90 6.167 6.201 -4.192 1.00 0.00 C ATOM 1115 O HIS A 90 6.829 6.292 -5.230 1.00 0.00 O ATOM 1116 CB HIS A 90 7.753 5.170 -2.480 1.00 0.00 C ATOM 1117 CG HIS A 90 8.981 5.033 -3.362 1.00 0.00 C ATOM 1118 ND1 HIS A 90 9.878 6.057 -3.629 1.00 0.00 N ATOM 1119 CD2 HIS A 90 9.450 3.956 -4.026 1.00 0.00 C ATOM 1120 CE1 HIS A 90 10.828 5.574 -4.433 1.00 0.00 C ATOM 1121 NE2 HIS A 90 10.614 4.300 -4.703 1.00 0.00 N ATOM 0 H HIS A 90 7.059 3.163 -3.808 1.00 0.00 H new ATOM 0 HA HIS A 90 5.596 5.122 -2.453 1.00 0.00 H new ATOM 0 HB2 HIS A 90 7.793 6.138 -1.981 1.00 0.00 H new ATOM 0 HB3 HIS A 90 7.801 4.409 -1.702 1.00 0.00 H new ATOM 0 HD2 HIS A 90 8.992 2.978 -4.031 1.00 0.00 H new ATOM 0 HE1 HIS A 90 11.660 6.149 -4.812 1.00 0.00 H new ATOM 0 HE2 HIS A 90 11.186 3.692 -5.289 1.00 0.00 H new ATOM 1129 N GLY A 91 5.223 7.052 -3.873 1.00 0.00 N ATOM 1130 CA GLY A 91 4.943 8.210 -4.682 1.00 0.00 C ATOM 1131 C GLY A 91 3.890 7.947 -5.720 1.00 0.00 C ATOM 1132 O GLY A 91 3.526 8.842 -6.486 1.00 0.00 O ATOM 0 H GLY A 91 4.630 6.961 -3.048 1.00 0.00 H new ATOM 0 HA2 GLY A 91 4.618 9.028 -4.039 1.00 0.00 H new ATOM 0 HA3 GLY A 91 5.860 8.536 -5.174 1.00 0.00 H new ATOM 1136 N THR A 92 3.409 6.739 -5.773 1.00 0.00 N ATOM 1137 CA THR A 92 2.403 6.398 -6.722 1.00 0.00 C ATOM 1138 C THR A 92 1.078 6.224 -5.990 1.00 0.00 C ATOM 1139 O THR A 92 1.045 5.761 -4.828 1.00 0.00 O ATOM 1140 CB THR A 92 2.795 5.094 -7.447 1.00 0.00 C ATOM 1141 OG1 THR A 92 4.158 5.209 -7.903 1.00 0.00 O ATOM 1142 CG2 THR A 92 1.901 4.837 -8.657 1.00 0.00 C ATOM 0 H THR A 92 3.702 5.974 -5.165 1.00 0.00 H new ATOM 0 HA THR A 92 2.303 7.189 -7.465 1.00 0.00 H new ATOM 0 HB THR A 92 2.680 4.266 -6.748 1.00 0.00 H new ATOM 0 HG1 THR A 92 4.419 4.385 -8.364 1.00 0.00 H new ATOM 0 HG21 THR A 92 2.205 3.910 -9.144 1.00 0.00 H new ATOM 0 HG22 THR A 92 0.864 4.753 -8.332 1.00 0.00 H new ATOM 0 HG23 THR A 92 1.994 5.664 -9.361 1.00 0.00 H new ATOM 1150 N CYS A 93 0.006 6.582 -6.640 1.00 0.00 N ATOM 1151 CA CYS A 93 -1.293 6.471 -6.053 1.00 0.00 C ATOM 1152 C CYS A 93 -2.247 5.932 -7.091 1.00 0.00 C ATOM 1153 O CYS A 93 -2.014 6.084 -8.287 1.00 0.00 O ATOM 1154 CB CYS A 93 -1.841 7.830 -5.632 1.00 0.00 C ATOM 1155 SG CYS A 93 -0.668 9.040 -4.888 1.00 0.00 S ATOM 0 H CYS A 93 0.011 6.957 -7.588 1.00 0.00 H new ATOM 0 HA CYS A 93 -1.205 5.822 -5.181 1.00 0.00 H new ATOM 0 HB2 CYS A 93 -2.290 8.296 -6.509 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -2.644 7.659 -4.915 1.00 0.00 H new ATOM 1160 N ILE A 94 -3.291 5.298 -6.642 1.00 0.00 N ATOM 1161 CA ILE A 94 -4.354 4.849 -7.506 1.00 0.00 C ATOM 1162 C ILE A 94 -5.399 5.933 -7.512 1.00 0.00 C ATOM 1163 O ILE A 94 -5.807 6.375 -6.440 1.00 0.00 O ATOM 1164 CB ILE A 94 -5.004 3.562 -6.974 1.00 0.00 C ATOM 1165 CG1 ILE A 94 -3.937 2.520 -6.752 1.00 0.00 C ATOM 1166 CG2 ILE A 94 -6.060 3.042 -7.962 1.00 0.00 C ATOM 1167 CD1 ILE A 94 -4.461 1.210 -6.202 1.00 0.00 C ATOM 0 H ILE A 94 -3.434 5.074 -5.657 1.00 0.00 H new ATOM 0 HA ILE A 94 -3.954 4.644 -8.499 1.00 0.00 H new ATOM 0 HB ILE A 94 -5.502 3.778 -6.029 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -3.429 2.328 -7.697 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -3.191 2.919 -6.064 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -6.509 2.130 -7.568 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -6.833 3.798 -8.099 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -5.587 2.829 -8.921 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -3.633 0.513 -6.070 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -4.944 1.386 -5.241 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -5.184 0.786 -6.899 1.00 0.00 H new ATOM 1179 N ASP A 95 -5.807 6.373 -8.670 1.00 0.00 N ATOM 1180 CA ASP A 95 -6.825 7.434 -8.758 1.00 0.00 C ATOM 1181 C ASP A 95 -8.183 6.917 -8.342 1.00 0.00 C ATOM 1182 O ASP A 95 -8.872 7.524 -7.507 1.00 0.00 O ATOM 1183 CB ASP A 95 -6.916 8.028 -10.167 1.00 0.00 C ATOM 1184 CG ASP A 95 -5.731 8.878 -10.544 1.00 0.00 C ATOM 1185 OD1 ASP A 95 -5.781 10.113 -10.323 1.00 0.00 O ATOM 1186 OD2 ASP A 95 -4.745 8.337 -11.098 1.00 0.00 O ATOM 0 H ASP A 95 -5.467 6.031 -9.569 1.00 0.00 H new ATOM 0 HA ASP A 95 -6.513 8.223 -8.074 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -7.014 7.216 -10.888 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -7.822 8.630 -10.240 1.00 0.00 H new ATOM 1191 N ASP A 96 -8.543 5.773 -8.877 1.00 0.00 N ATOM 1192 CA ASP A 96 -9.806 5.150 -8.577 1.00 0.00 C ATOM 1193 C ASP A 96 -9.624 3.693 -8.262 1.00 0.00 C ATOM 1194 O ASP A 96 -9.672 2.838 -9.159 1.00 0.00 O ATOM 1195 CB ASP A 96 -10.809 5.223 -9.719 1.00 0.00 C ATOM 1196 CG ASP A 96 -11.394 6.573 -10.067 1.00 0.00 C ATOM 1197 OD1 ASP A 96 -10.716 7.391 -10.711 1.00 0.00 O ATOM 1198 OD2 ASP A 96 -12.602 6.794 -9.789 1.00 0.00 O ATOM 0 H ASP A 96 -7.965 5.249 -9.534 1.00 0.00 H new ATOM 0 HA ASP A 96 -10.192 5.708 -7.724 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -10.326 4.828 -10.613 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -11.635 4.553 -9.481 1.00 0.00 H new ATOM 1203 N PHE A 97 -9.392 3.387 -7.020 1.00 0.00 N ATOM 1204 CA PHE A 97 -9.273 2.003 -6.596 1.00 0.00 C ATOM 1205 C PHE A 97 -10.615 1.292 -6.777 1.00 0.00 C ATOM 1206 O PHE A 97 -10.681 0.127 -7.104 1.00 0.00 O ATOM 1207 CB PHE A 97 -8.784 1.919 -5.154 1.00 0.00 C ATOM 1208 CG PHE A 97 -8.476 0.526 -4.708 1.00 0.00 C ATOM 1209 CD1 PHE A 97 -7.456 -0.181 -5.305 1.00 0.00 C ATOM 1210 CD2 PHE A 97 -9.185 -0.065 -3.693 1.00 0.00 C ATOM 1211 CE1 PHE A 97 -7.143 -1.455 -4.902 1.00 0.00 C ATOM 1212 CE2 PHE A 97 -8.881 -1.344 -3.281 1.00 0.00 C ATOM 1213 CZ PHE A 97 -7.857 -2.039 -3.889 1.00 0.00 C ATOM 0 H PHE A 97 -9.279 4.072 -6.272 1.00 0.00 H new ATOM 0 HA PHE A 97 -8.532 1.500 -7.217 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -7.890 2.533 -5.046 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -9.543 2.343 -4.496 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -6.892 0.276 -6.105 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -9.987 0.476 -3.214 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -6.339 -1.994 -5.381 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -9.445 -1.802 -2.482 1.00 0.00 H new ATOM 0 HZ PHE A 97 -7.618 -3.042 -3.567 1.00 0.00 H new ATOM 1223 N THR A 98 -11.671 2.062 -6.648 1.00 0.00 N ATOM 1224 CA THR A 98 -13.032 1.566 -6.747 1.00 0.00 C ATOM 1225 C THR A 98 -13.357 1.082 -8.186 1.00 0.00 C ATOM 1226 O THR A 98 -14.214 0.220 -8.389 1.00 0.00 O ATOM 1227 CB THR A 98 -14.040 2.669 -6.278 1.00 0.00 C ATOM 1228 OG1 THR A 98 -15.400 2.227 -6.391 1.00 0.00 O ATOM 1229 CG2 THR A 98 -13.852 3.950 -7.076 1.00 0.00 C ATOM 0 H THR A 98 -11.612 3.064 -6.469 1.00 0.00 H new ATOM 0 HA THR A 98 -13.131 0.702 -6.089 1.00 0.00 H new ATOM 0 HB THR A 98 -13.830 2.867 -5.227 1.00 0.00 H new ATOM 0 HG1 THR A 98 -16.002 2.939 -6.089 1.00 0.00 H new ATOM 0 HG21 THR A 98 -14.563 4.701 -6.732 1.00 0.00 H new ATOM 0 HG22 THR A 98 -12.837 4.321 -6.935 1.00 0.00 H new ATOM 0 HG23 THR A 98 -14.021 3.748 -8.134 1.00 0.00 H new ATOM 1237 N LYS A 99 -12.641 1.609 -9.170 1.00 0.00 N ATOM 1238 CA LYS A 99 -12.875 1.251 -10.563 1.00 0.00 C ATOM 1239 C LYS A 99 -11.944 0.123 -10.968 1.00 0.00 C ATOM 1240 O LYS A 99 -12.060 -0.428 -12.064 1.00 0.00 O ATOM 1241 CB LYS A 99 -12.640 2.459 -11.474 1.00 0.00 C ATOM 1242 CG LYS A 99 -13.376 3.715 -11.045 1.00 0.00 C ATOM 1243 CD LYS A 99 -14.863 3.602 -11.094 1.00 0.00 C ATOM 1244 CE LYS A 99 -15.507 4.847 -10.474 1.00 0.00 C ATOM 1245 NZ LYS A 99 -14.966 6.116 -11.037 1.00 0.00 N ATOM 0 H LYS A 99 -11.892 2.287 -9.029 1.00 0.00 H new ATOM 0 HA LYS A 99 -13.910 0.926 -10.668 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -11.571 2.671 -11.508 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -12.946 2.200 -12.488 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -13.076 3.969 -10.028 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -13.065 4.541 -11.685 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -15.193 3.488 -12.127 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -15.186 2.710 -10.556 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -16.584 4.813 -10.636 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -15.347 4.835 -9.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -15.659 6.879 -10.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -14.080 6.362 -10.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -14.781 5.994 -12.053 1.00 0.00 H new ATOM 1259 N SER A 100 -11.030 -0.224 -10.081 1.00 0.00 N ATOM 1260 CA SER A 100 -10.078 -1.275 -10.339 1.00 0.00 C ATOM 1261 C SER A 100 -10.747 -2.648 -10.107 1.00 0.00 C ATOM 1262 O SER A 100 -11.976 -2.715 -9.916 1.00 0.00 O ATOM 1263 CB SER A 100 -8.858 -1.069 -9.437 1.00 0.00 C ATOM 1264 OG SER A 100 -8.309 0.248 -9.635 1.00 0.00 O ATOM 0 H SER A 100 -10.931 0.216 -9.166 1.00 0.00 H new ATOM 0 HA SER A 100 -9.743 -1.247 -11.376 1.00 0.00 H new ATOM 0 HB2 SER A 100 -9.143 -1.199 -8.393 1.00 0.00 H new ATOM 0 HB3 SER A 100 -8.102 -1.823 -9.658 1.00 0.00 H new ATOM 0 HG SER A 100 -8.938 0.919 -9.296 1.00 0.00 H new ATOM 1270 N GLY A 101 -9.962 -3.719 -10.140 1.00 0.00 N ATOM 1271 CA GLY A 101 -10.492 -5.057 -9.970 1.00 0.00 C ATOM 1272 C GLY A 101 -11.226 -5.213 -8.668 1.00 0.00 C ATOM 1273 O GLY A 101 -12.444 -5.445 -8.646 1.00 0.00 O ATOM 0 H GLY A 101 -8.953 -3.681 -10.284 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -11.166 -5.287 -10.795 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -9.676 -5.778 -10.014 1.00 0.00 H new ATOM 1277 N PHE A 102 -10.517 -5.097 -7.595 1.00 0.00 N ATOM 1278 CA PHE A 102 -11.124 -5.170 -6.305 1.00 0.00 C ATOM 1279 C PHE A 102 -11.084 -3.827 -5.637 1.00 0.00 C ATOM 1280 O PHE A 102 -10.169 -3.056 -5.869 1.00 0.00 O ATOM 1281 CB PHE A 102 -10.489 -6.259 -5.432 1.00 0.00 C ATOM 1282 CG PHE A 102 -9.013 -6.108 -5.134 1.00 0.00 C ATOM 1283 CD1 PHE A 102 -8.577 -5.619 -3.913 1.00 0.00 C ATOM 1284 CD2 PHE A 102 -8.069 -6.493 -6.059 1.00 0.00 C ATOM 1285 CE1 PHE A 102 -7.229 -5.522 -3.637 1.00 0.00 C ATOM 1286 CE2 PHE A 102 -6.726 -6.391 -5.787 1.00 0.00 C ATOM 1287 CZ PHE A 102 -6.305 -5.907 -4.575 1.00 0.00 C ATOM 0 H PHE A 102 -9.508 -4.950 -7.585 1.00 0.00 H new ATOM 0 HA PHE A 102 -12.168 -5.454 -6.439 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -11.027 -6.294 -4.485 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -10.642 -7.221 -5.921 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -9.299 -5.311 -3.171 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -8.389 -6.882 -7.014 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -6.900 -5.142 -2.681 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -6.001 -6.692 -6.529 1.00 0.00 H new ATOM 0 HZ PHE A 102 -5.250 -5.829 -4.360 1.00 0.00 H new ATOM 1297 N LYS A 103 -12.089 -3.532 -4.854 1.00 0.00 N ATOM 1298 CA LYS A 103 -12.097 -2.294 -4.094 1.00 0.00 C ATOM 1299 C LYS A 103 -12.006 -2.634 -2.605 1.00 0.00 C ATOM 1300 O LYS A 103 -11.887 -1.760 -1.761 1.00 0.00 O ATOM 1301 CB LYS A 103 -13.368 -1.426 -4.379 1.00 0.00 C ATOM 1302 CG LYS A 103 -14.637 -1.815 -3.597 1.00 0.00 C ATOM 1303 CD LYS A 103 -15.078 -3.231 -3.869 1.00 0.00 C ATOM 1304 CE LYS A 103 -16.125 -3.686 -2.881 1.00 0.00 C ATOM 1305 NZ LYS A 103 -16.507 -5.094 -3.119 1.00 0.00 N ATOM 0 H LYS A 103 -12.910 -4.122 -4.721 1.00 0.00 H new ATOM 0 HA LYS A 103 -11.239 -1.697 -4.402 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -13.131 -0.386 -4.156 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -13.590 -1.481 -5.445 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -14.452 -1.695 -2.530 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -15.444 -1.131 -3.859 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -15.477 -3.300 -4.881 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -14.216 -3.897 -3.820 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -15.743 -3.576 -1.866 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -17.006 -3.049 -2.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -17.228 -5.380 -2.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -16.893 -5.191 -4.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -15.670 -5.703 -3.019 1.00 0.00 H new ATOM 1319 N GLY A 104 -12.077 -3.923 -2.307 1.00 0.00 N ATOM 1320 CA GLY A 104 -12.067 -4.375 -0.949 1.00 0.00 C ATOM 1321 C GLY A 104 -10.818 -5.131 -0.634 1.00 0.00 C ATOM 1322 O GLY A 104 -10.531 -6.152 -1.256 1.00 0.00 O ATOM 0 H GLY A 104 -12.142 -4.668 -3.001 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -12.155 -3.520 -0.279 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -12.934 -5.011 -0.770 1.00 0.00 H new ATOM 1326 N ILE A 105 -10.070 -4.634 0.304 1.00 0.00 N ATOM 1327 CA ILE A 105 -8.823 -5.242 0.684 1.00 0.00 C ATOM 1328 C ILE A 105 -9.002 -5.984 1.951 1.00 0.00 C ATOM 1329 O ILE A 105 -9.348 -5.435 2.991 1.00 0.00 O ATOM 1330 CB ILE A 105 -7.734 -4.158 0.828 1.00 0.00 C ATOM 1331 CG1 ILE A 105 -7.608 -3.409 -0.485 1.00 0.00 C ATOM 1332 CG2 ILE A 105 -6.397 -4.769 1.213 1.00 0.00 C ATOM 1333 CD1 ILE A 105 -6.846 -2.119 -0.384 1.00 0.00 C ATOM 0 H ILE A 105 -10.305 -3.793 0.831 1.00 0.00 H new ATOM 0 HA ILE A 105 -8.505 -5.943 -0.087 1.00 0.00 H new ATOM 0 HB ILE A 105 -8.024 -3.470 1.623 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -7.115 -4.054 -1.213 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -8.606 -3.200 -0.869 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -5.650 -3.981 1.307 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -6.496 -5.290 2.165 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -6.085 -5.475 0.444 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -6.801 -1.645 -1.365 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -7.349 -1.453 0.318 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -5.834 -2.321 -0.032 1.00 0.00 H new ATOM 1345 N SER A 106 -8.833 -7.233 1.802 1.00 0.00 N ATOM 1346 CA SER A 106 -8.892 -8.191 2.813 1.00 0.00 C ATOM 1347 C SER A 106 -7.562 -8.388 3.569 1.00 0.00 C ATOM 1348 O SER A 106 -7.560 -8.801 4.720 1.00 0.00 O ATOM 1349 CB SER A 106 -9.396 -9.434 2.203 1.00 0.00 C ATOM 1350 OG SER A 106 -10.770 -9.362 1.882 1.00 0.00 O ATOM 0 H SER A 106 -8.633 -7.643 0.890 1.00 0.00 H new ATOM 0 HA SER A 106 -9.570 -7.849 3.595 1.00 0.00 H new ATOM 0 HB2 SER A 106 -8.826 -9.648 1.299 1.00 0.00 H new ATOM 0 HB3 SER A 106 -9.230 -10.265 2.889 1.00 0.00 H new ATOM 0 HG SER A 106 -10.919 -9.748 0.994 1.00 0.00 H new ATOM 1356 N SER A 107 -6.434 -8.166 2.901 1.00 0.00 N ATOM 1357 CA SER A 107 -5.141 -8.286 3.551 1.00 0.00 C ATOM 1358 C SER A 107 -4.119 -7.405 2.843 1.00 0.00 C ATOM 1359 O SER A 107 -4.288 -7.093 1.658 1.00 0.00 O ATOM 1360 CB SER A 107 -4.679 -9.761 3.631 1.00 0.00 C ATOM 1361 OG SER A 107 -4.542 -10.371 2.359 1.00 0.00 O ATOM 0 H SER A 107 -6.393 -7.904 1.916 1.00 0.00 H new ATOM 0 HA SER A 107 -5.235 -7.937 4.579 1.00 0.00 H new ATOM 0 HB2 SER A 107 -3.724 -9.808 4.155 1.00 0.00 H new ATOM 0 HB3 SER A 107 -5.396 -10.328 4.224 1.00 0.00 H new ATOM 0 HG SER A 107 -5.430 -10.564 1.991 1.00 0.00 H new ATOM 1367 N ILE A 108 -3.087 -6.990 3.551 1.00 0.00 N ATOM 1368 CA ILE A 108 -2.089 -6.085 2.998 1.00 0.00 C ATOM 1369 C ILE A 108 -0.720 -6.612 3.330 1.00 0.00 C ATOM 1370 O ILE A 108 -0.460 -6.939 4.489 1.00 0.00 O ATOM 1371 CB ILE A 108 -2.193 -4.654 3.605 1.00 0.00 C ATOM 1372 CG1 ILE A 108 -3.599 -4.088 3.463 1.00 0.00 C ATOM 1373 CG2 ILE A 108 -1.177 -3.720 2.962 1.00 0.00 C ATOM 1374 CD1 ILE A 108 -3.720 -2.703 4.007 1.00 0.00 C ATOM 0 H ILE A 108 -2.914 -7.266 4.518 1.00 0.00 H new ATOM 0 HA ILE A 108 -2.261 -6.027 1.923 1.00 0.00 H new ATOM 0 HB ILE A 108 -1.970 -4.732 4.669 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -3.881 -4.086 2.410 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -4.303 -4.740 3.980 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -1.267 -2.726 3.401 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -0.171 -4.103 3.134 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -1.364 -3.661 1.890 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -4.743 -2.350 3.879 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -3.467 -2.705 5.067 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -3.038 -2.041 3.472 1.00 0.00 H new ATOM 1386 N LYS A 109 0.147 -6.682 2.354 1.00 0.00 N ATOM 1387 CA LYS A 109 1.489 -7.143 2.583 1.00 0.00 C ATOM 1388 C LYS A 109 2.443 -6.015 2.259 1.00 0.00 C ATOM 1389 O LYS A 109 2.354 -5.403 1.191 1.00 0.00 O ATOM 1390 CB LYS A 109 1.831 -8.367 1.720 1.00 0.00 C ATOM 1391 CG LYS A 109 3.151 -9.030 2.110 1.00 0.00 C ATOM 1392 CD LYS A 109 3.577 -10.145 1.155 1.00 0.00 C ATOM 1393 CE LYS A 109 2.532 -11.221 0.995 1.00 0.00 C ATOM 1394 NZ LYS A 109 3.003 -12.323 0.146 1.00 0.00 N ATOM 0 H LYS A 109 -0.055 -6.424 1.388 1.00 0.00 H new ATOM 0 HA LYS A 109 1.579 -7.444 3.627 1.00 0.00 H new ATOM 0 HB2 LYS A 109 1.027 -9.098 1.803 1.00 0.00 H new ATOM 0 HB3 LYS A 109 1.880 -8.064 0.674 1.00 0.00 H new ATOM 0 HG2 LYS A 109 3.934 -8.272 2.143 1.00 0.00 H new ATOM 0 HG3 LYS A 109 3.060 -9.439 3.116 1.00 0.00 H new ATOM 0 HD2 LYS A 109 3.798 -9.714 0.179 1.00 0.00 H new ATOM 0 HD3 LYS A 109 4.500 -10.595 1.521 1.00 0.00 H new ATOM 0 HE2 LYS A 109 2.259 -11.610 1.976 1.00 0.00 H new ATOM 0 HE3 LYS A 109 1.630 -10.789 0.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 2.910 -13.222 0.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 2.432 -12.360 -0.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 4.001 -12.168 -0.102 1.00 0.00 H new ATOM 1408 N ARG A 110 3.311 -5.722 3.168 1.00 0.00 N ATOM 1409 CA ARG A 110 4.286 -4.692 2.971 1.00 0.00 C ATOM 1410 C ARG A 110 5.576 -5.309 2.482 1.00 0.00 C ATOM 1411 O ARG A 110 6.093 -6.259 3.086 1.00 0.00 O ATOM 1412 CB ARG A 110 4.565 -3.949 4.268 1.00 0.00 C ATOM 1413 CG ARG A 110 5.554 -2.806 4.108 1.00 0.00 C ATOM 1414 CD ARG A 110 6.081 -2.336 5.449 1.00 0.00 C ATOM 1415 NE ARG A 110 6.867 -3.392 6.112 1.00 0.00 N ATOM 1416 CZ ARG A 110 7.967 -3.204 6.856 1.00 0.00 C ATOM 1417 NH1 ARG A 110 8.381 -1.973 7.156 1.00 0.00 N ATOM 1418 NH2 ARG A 110 8.632 -4.258 7.322 1.00 0.00 N ATOM 0 H ARG A 110 3.368 -6.189 4.073 1.00 0.00 H new ATOM 0 HA ARG A 110 3.894 -3.988 2.237 1.00 0.00 H new ATOM 0 HB2 ARG A 110 3.628 -3.556 4.662 1.00 0.00 H new ATOM 0 HB3 ARG A 110 4.951 -4.653 5.006 1.00 0.00 H new ATOM 0 HG2 ARG A 110 6.386 -3.128 3.482 1.00 0.00 H new ATOM 0 HG3 ARG A 110 5.071 -1.975 3.594 1.00 0.00 H new ATOM 0 HD2 ARG A 110 6.701 -1.451 5.309 1.00 0.00 H new ATOM 0 HD3 ARG A 110 5.248 -2.044 6.088 1.00 0.00 H new ATOM 0 HE ARG A 110 6.545 -4.353 5.994 1.00 0.00 H new ATOM 0 HH11 ARG A 110 7.860 -1.163 6.819 1.00 0.00 H new ATOM 0 HH12 ARG A 110 9.219 -1.841 7.723 1.00 0.00 H new ATOM 0 HH21 ARG A 110 8.304 -5.201 7.113 1.00 0.00 H new ATOM 0 HH22 ARG A 110 9.469 -4.123 7.888 1.00 0.00 H new ATOM 1432 N CYS A 111 6.089 -4.771 1.435 1.00 0.00 N ATOM 1433 CA CYS A 111 7.304 -5.213 0.862 1.00 0.00 C ATOM 1434 C CYS A 111 8.276 -4.067 0.809 1.00 0.00 C ATOM 1435 O CYS A 111 7.932 -2.914 1.118 1.00 0.00 O ATOM 1436 CB CYS A 111 7.037 -5.723 -0.534 1.00 0.00 C ATOM 1437 SG CYS A 111 5.834 -7.073 -0.608 1.00 0.00 S ATOM 0 H CYS A 111 5.661 -3.988 0.940 1.00 0.00 H new ATOM 0 HA CYS A 111 7.728 -6.015 1.466 1.00 0.00 H new ATOM 0 HB2 CYS A 111 6.679 -4.897 -1.149 1.00 0.00 H new ATOM 0 HB3 CYS A 111 7.976 -6.063 -0.971 1.00 0.00 H new ATOM 1442 N ILE A 112 9.472 -4.369 0.464 1.00 0.00 N ATOM 1443 CA ILE A 112 10.485 -3.385 0.308 1.00 0.00 C ATOM 1444 C ILE A 112 11.146 -3.578 -1.028 1.00 0.00 C ATOM 1445 O ILE A 112 11.382 -4.707 -1.457 1.00 0.00 O ATOM 1446 CB ILE A 112 11.548 -3.453 1.421 1.00 0.00 C ATOM 1447 CG1 ILE A 112 11.995 -4.896 1.627 1.00 0.00 C ATOM 1448 CG2 ILE A 112 11.017 -2.854 2.720 1.00 0.00 C ATOM 1449 CD1 ILE A 112 13.300 -5.022 2.338 1.00 0.00 C ATOM 0 H ILE A 112 9.784 -5.322 0.278 1.00 0.00 H new ATOM 0 HA ILE A 112 10.013 -2.405 0.372 1.00 0.00 H new ATOM 0 HB ILE A 112 12.411 -2.862 1.115 1.00 0.00 H new ATOM 0 HG12 ILE A 112 11.230 -5.427 2.193 1.00 0.00 H new ATOM 0 HG13 ILE A 112 12.071 -5.386 0.656 1.00 0.00 H new ATOM 0 HG21 ILE A 112 11.786 -2.914 3.490 1.00 0.00 H new ATOM 0 HG22 ILE A 112 10.748 -1.810 2.556 1.00 0.00 H new ATOM 0 HG23 ILE A 112 10.136 -3.409 3.043 1.00 0.00 H new ATOM 0 HD11 ILE A 112 13.554 -6.076 2.449 1.00 0.00 H new ATOM 0 HD12 ILE A 112 14.078 -4.520 1.763 1.00 0.00 H new ATOM 0 HD13 ILE A 112 13.224 -4.562 3.323 1.00 0.00 H new ATOM 1461 N GLN A 113 11.420 -2.517 -1.677 1.00 0.00 N ATOM 1462 CA GLN A 113 12.043 -2.562 -2.947 1.00 0.00 C ATOM 1463 C GLN A 113 13.424 -2.030 -2.791 1.00 0.00 C ATOM 1464 O GLN A 113 13.627 -0.889 -2.381 1.00 0.00 O ATOM 1465 CB GLN A 113 11.253 -1.788 -3.999 1.00 0.00 C ATOM 1466 CG GLN A 113 11.792 -1.963 -5.419 1.00 0.00 C ATOM 1467 CD GLN A 113 10.906 -1.332 -6.470 1.00 0.00 C ATOM 1468 OE1 GLN A 113 10.236 -0.325 -6.229 1.00 0.00 O ATOM 1469 NE2 GLN A 113 10.875 -1.927 -7.627 1.00 0.00 N ATOM 0 H GLN A 113 11.217 -1.576 -1.341 1.00 0.00 H new ATOM 0 HA GLN A 113 12.077 -3.591 -3.306 1.00 0.00 H new ATOM 0 HB2 GLN A 113 10.213 -2.112 -3.972 1.00 0.00 H new ATOM 0 HB3 GLN A 113 11.264 -0.729 -3.743 1.00 0.00 H new ATOM 0 HG2 GLN A 113 12.788 -1.524 -5.480 1.00 0.00 H new ATOM 0 HG3 GLN A 113 11.899 -3.027 -5.633 1.00 0.00 H new ATOM 0 HE21 GLN A 113 11.444 -2.758 -7.788 1.00 0.00 H new ATOM 0 HE22 GLN A 113 10.282 -1.562 -8.372 1.00 0.00 H new ATOM 1478 N THR A 114 14.351 -2.865 -3.084 1.00 0.00 N ATOM 1479 CA THR A 114 15.744 -2.584 -2.931 1.00 0.00 C ATOM 1480 C THR A 114 16.189 -1.538 -3.940 1.00 0.00 C ATOM 1481 O THR A 114 15.439 -1.206 -4.883 1.00 0.00 O ATOM 1482 CB THR A 114 16.530 -3.879 -3.169 1.00 0.00 C ATOM 1483 OG1 THR A 114 16.233 -4.350 -4.491 1.00 0.00 O ATOM 1484 CG2 THR A 114 16.115 -4.952 -2.176 1.00 0.00 C ATOM 0 H THR A 114 14.162 -3.798 -3.450 1.00 0.00 H new ATOM 0 HA THR A 114 15.928 -2.201 -1.927 1.00 0.00 H new ATOM 0 HB THR A 114 17.594 -3.675 -3.048 1.00 0.00 H new ATOM 0 HG1 THR A 114 15.357 -4.790 -4.493 1.00 0.00 H new ATOM 0 HG21 THR A 114 16.685 -5.862 -2.364 1.00 0.00 H new ATOM 0 HG22 THR A 114 16.310 -4.604 -1.162 1.00 0.00 H new ATOM 0 HG23 THR A 114 15.051 -5.161 -2.289 1.00 0.00 H new ATOM 1492 N LYS A 115 17.402 -1.039 -3.782 1.00 0.00 N ATOM 1493 CA LYS A 115 17.953 -0.094 -4.729 1.00 0.00 C ATOM 1494 C LYS A 115 18.176 -0.793 -6.066 1.00 0.00 C ATOM 1495 O LYS A 115 18.318 -0.156 -7.114 1.00 0.00 O ATOM 1496 CB LYS A 115 19.288 0.439 -4.266 1.00 0.00 C ATOM 1497 CG LYS A 115 19.689 1.672 -5.044 1.00 0.00 C ATOM 1498 CD LYS A 115 21.172 1.768 -5.246 1.00 0.00 C ATOM 1499 CE LYS A 115 21.635 0.841 -6.368 1.00 0.00 C ATOM 1500 NZ LYS A 115 20.995 1.187 -7.672 1.00 0.00 N ATOM 0 H LYS A 115 18.022 -1.274 -3.007 1.00 0.00 H new ATOM 0 HA LYS A 115 17.247 0.731 -4.821 1.00 0.00 H new ATOM 0 HB2 LYS A 115 19.238 0.678 -3.204 1.00 0.00 H new ATOM 0 HB3 LYS A 115 20.050 -0.331 -4.384 1.00 0.00 H new ATOM 0 HG2 LYS A 115 19.193 1.662 -6.015 1.00 0.00 H new ATOM 0 HG3 LYS A 115 19.339 2.560 -4.517 1.00 0.00 H new ATOM 0 HD2 LYS A 115 21.444 2.796 -5.484 1.00 0.00 H new ATOM 0 HD3 LYS A 115 21.686 1.509 -4.320 1.00 0.00 H new ATOM 0 HE2 LYS A 115 22.719 0.903 -6.467 1.00 0.00 H new ATOM 0 HE3 LYS A 115 21.397 -0.191 -6.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 21.584 0.833 -8.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 20.053 0.749 -7.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 20.902 2.220 -7.750 1.00 0.00 H new ATOM 1514 N ASP A 116 18.231 -2.105 -6.011 1.00 0.00 N ATOM 1515 CA ASP A 116 18.491 -2.905 -7.176 1.00 0.00 C ATOM 1516 C ASP A 116 17.181 -3.158 -7.934 1.00 0.00 C ATOM 1517 O ASP A 116 17.175 -3.653 -9.057 1.00 0.00 O ATOM 1518 CB ASP A 116 19.123 -4.220 -6.732 1.00 0.00 C ATOM 1519 CG ASP A 116 19.692 -5.042 -7.863 1.00 0.00 C ATOM 1520 OD1 ASP A 116 20.838 -4.763 -8.276 1.00 0.00 O ATOM 1521 OD2 ASP A 116 19.048 -6.013 -8.316 1.00 0.00 O ATOM 0 H ASP A 116 18.096 -2.643 -5.155 1.00 0.00 H new ATOM 0 HA ASP A 116 19.175 -2.386 -7.847 1.00 0.00 H new ATOM 0 HB2 ASP A 116 19.917 -4.006 -6.017 1.00 0.00 H new ATOM 0 HB3 ASP A 116 18.373 -4.812 -6.208 1.00 0.00 H new ATOM 1526 N GLY A 117 16.077 -2.766 -7.321 1.00 0.00 N ATOM 1527 CA GLY A 117 14.784 -2.848 -7.963 1.00 0.00 C ATOM 1528 C GLY A 117 13.988 -4.078 -7.594 1.00 0.00 C ATOM 1529 O GLY A 117 12.791 -4.169 -7.914 1.00 0.00 O ATOM 0 H GLY A 117 16.055 -2.386 -6.375 1.00 0.00 H new ATOM 0 HA2 GLY A 117 14.205 -1.962 -7.703 1.00 0.00 H new ATOM 0 HA3 GLY A 117 14.925 -2.831 -9.044 1.00 0.00 H new ATOM 1533 N LYS A 118 14.610 -5.029 -6.925 1.00 0.00 N ATOM 1534 CA LYS A 118 13.880 -6.218 -6.532 1.00 0.00 C ATOM 1535 C LYS A 118 13.027 -5.921 -5.312 1.00 0.00 C ATOM 1536 O LYS A 118 13.470 -5.205 -4.390 1.00 0.00 O ATOM 1537 CB LYS A 118 14.793 -7.434 -6.294 1.00 0.00 C ATOM 1538 CG LYS A 118 15.724 -7.358 -5.104 1.00 0.00 C ATOM 1539 CD LYS A 118 16.511 -8.646 -4.953 1.00 0.00 C ATOM 1540 CE LYS A 118 17.464 -8.592 -3.771 1.00 0.00 C ATOM 1541 NZ LYS A 118 18.257 -9.829 -3.655 1.00 0.00 N ATOM 0 H LYS A 118 15.591 -5.006 -6.648 1.00 0.00 H new ATOM 0 HA LYS A 118 13.232 -6.492 -7.365 1.00 0.00 H new ATOM 0 HB2 LYS A 118 14.163 -8.316 -6.178 1.00 0.00 H new ATOM 0 HB3 LYS A 118 15.396 -7.588 -7.189 1.00 0.00 H new ATOM 0 HG2 LYS A 118 16.410 -6.520 -5.226 1.00 0.00 H new ATOM 0 HG3 LYS A 118 15.148 -7.170 -4.198 1.00 0.00 H new ATOM 0 HD2 LYS A 118 15.821 -9.480 -4.825 1.00 0.00 H new ATOM 0 HD3 LYS A 118 17.075 -8.836 -5.866 1.00 0.00 H new ATOM 0 HE2 LYS A 118 18.134 -7.739 -3.882 1.00 0.00 H new ATOM 0 HE3 LYS A 118 16.897 -8.435 -2.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 18.896 -9.756 -2.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 17.619 -10.640 -3.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 18.817 -9.965 -4.521 1.00 0.00 H new ATOM 1555 N VAL A 119 11.824 -6.427 -5.318 1.00 0.00 N ATOM 1556 CA VAL A 119 10.890 -6.204 -4.248 1.00 0.00 C ATOM 1557 C VAL A 119 10.846 -7.443 -3.379 1.00 0.00 C ATOM 1558 O VAL A 119 10.424 -8.519 -3.827 1.00 0.00 O ATOM 1559 CB VAL A 119 9.456 -5.890 -4.776 1.00 0.00 C ATOM 1560 CG1 VAL A 119 8.542 -5.461 -3.647 1.00 0.00 C ATOM 1561 CG2 VAL A 119 9.479 -4.823 -5.848 1.00 0.00 C ATOM 0 H VAL A 119 11.461 -7.011 -6.072 1.00 0.00 H new ATOM 0 HA VAL A 119 11.225 -5.338 -3.677 1.00 0.00 H new ATOM 0 HB VAL A 119 9.069 -6.810 -5.214 1.00 0.00 H new ATOM 0 HG11 VAL A 119 7.549 -5.248 -4.043 1.00 0.00 H new ATOM 0 HG12 VAL A 119 8.475 -6.261 -2.910 1.00 0.00 H new ATOM 0 HG13 VAL A 119 8.944 -4.565 -3.174 1.00 0.00 H new ATOM 0 HG21 VAL A 119 8.463 -4.631 -6.192 1.00 0.00 H new ATOM 0 HG22 VAL A 119 9.904 -3.906 -5.440 1.00 0.00 H new ATOM 0 HG23 VAL A 119 10.087 -5.162 -6.686 1.00 0.00 H new ATOM 1571 N GLU A 120 11.306 -7.302 -2.178 1.00 0.00 N ATOM 1572 CA GLU A 120 11.335 -8.376 -1.240 1.00 0.00 C ATOM 1573 C GLU A 120 10.119 -8.318 -0.366 1.00 0.00 C ATOM 1574 O GLU A 120 9.771 -7.256 0.178 1.00 0.00 O ATOM 1575 CB GLU A 120 12.602 -8.299 -0.404 1.00 0.00 C ATOM 1576 CG GLU A 120 13.854 -8.608 -1.192 1.00 0.00 C ATOM 1577 CD GLU A 120 13.946 -10.070 -1.549 1.00 0.00 C ATOM 1578 OE1 GLU A 120 14.733 -10.796 -0.891 1.00 0.00 O ATOM 1579 OE2 GLU A 120 13.236 -10.540 -2.457 1.00 0.00 O ATOM 0 H GLU A 120 11.678 -6.424 -1.816 1.00 0.00 H new ATOM 0 HA GLU A 120 11.333 -9.325 -1.776 1.00 0.00 H new ATOM 0 HB2 GLU A 120 12.687 -7.300 0.024 1.00 0.00 H new ATOM 0 HB3 GLU A 120 12.523 -8.997 0.429 1.00 0.00 H new ATOM 0 HG2 GLU A 120 13.866 -8.010 -2.103 1.00 0.00 H new ATOM 0 HG3 GLU A 120 14.730 -8.320 -0.610 1.00 0.00 H new ATOM 1586 N CYS A 121 9.510 -9.439 -0.194 1.00 0.00 N ATOM 1587 CA CYS A 121 8.306 -9.555 0.573 1.00 0.00 C ATOM 1588 C CYS A 121 8.422 -10.764 1.419 1.00 0.00 C ATOM 1589 O CYS A 121 9.235 -11.652 1.120 1.00 0.00 O ATOM 1590 CB CYS A 121 7.103 -9.768 -0.355 1.00 0.00 C ATOM 1591 SG CYS A 121 6.834 -8.497 -1.615 1.00 0.00 S ATOM 0 H CYS A 121 9.836 -10.322 -0.588 1.00 0.00 H new ATOM 0 HA CYS A 121 8.166 -8.649 1.162 1.00 0.00 H new ATOM 0 HB2 CYS A 121 7.223 -10.728 -0.857 1.00 0.00 H new ATOM 0 HB3 CYS A 121 6.205 -9.838 0.258 1.00 0.00 H new ATOM 1596 N ILE A 122 7.657 -10.814 2.478 1.00 0.00 N ATOM 1597 CA ILE A 122 7.576 -12.019 3.227 1.00 0.00 C ATOM 1598 C ILE A 122 6.738 -12.984 2.398 1.00 0.00 C ATOM 1599 O ILE A 122 5.581 -12.681 2.028 1.00 0.00 O ATOM 1600 CB ILE A 122 6.968 -11.806 4.647 1.00 0.00 C ATOM 1601 CG1 ILE A 122 6.917 -13.126 5.417 1.00 0.00 C ATOM 1602 CG2 ILE A 122 5.595 -11.121 4.614 1.00 0.00 C ATOM 1603 CD1 ILE A 122 8.280 -13.685 5.765 1.00 0.00 C ATOM 0 H ILE A 122 7.092 -10.041 2.830 1.00 0.00 H new ATOM 0 HA ILE A 122 8.575 -12.416 3.409 1.00 0.00 H new ATOM 0 HB ILE A 122 7.632 -11.123 5.176 1.00 0.00 H new ATOM 0 HG12 ILE A 122 6.350 -12.978 6.336 1.00 0.00 H new ATOM 0 HG13 ILE A 122 6.374 -13.861 4.823 1.00 0.00 H new ATOM 0 HG21 ILE A 122 5.224 -11.001 5.632 1.00 0.00 H new ATOM 0 HG22 ILE A 122 5.688 -10.142 4.143 1.00 0.00 H new ATOM 0 HG23 ILE A 122 4.897 -11.733 4.043 1.00 0.00 H new ATOM 0 HD11 ILE A 122 8.161 -14.621 6.310 1.00 0.00 H new ATOM 0 HD12 ILE A 122 8.843 -13.867 4.850 1.00 0.00 H new ATOM 0 HD13 ILE A 122 8.819 -12.970 6.386 1.00 0.00 H new ATOM 1615 N ASN A 123 7.319 -14.084 2.026 1.00 0.00 N ATOM 1616 CA ASN A 123 6.620 -14.985 1.159 1.00 0.00 C ATOM 1617 C ASN A 123 5.664 -15.834 1.945 1.00 0.00 C ATOM 1618 O ASN A 123 6.066 -16.742 2.673 1.00 0.00 O ATOM 1619 CB ASN A 123 7.568 -15.842 0.329 1.00 0.00 C ATOM 1620 CG ASN A 123 6.837 -16.579 -0.784 1.00 0.00 C ATOM 1621 OD1 ASN A 123 6.688 -16.059 -1.890 1.00 0.00 O ATOM 1622 ND2 ASN A 123 6.371 -17.768 -0.513 1.00 0.00 N ATOM 0 H ASN A 123 8.256 -14.376 2.302 1.00 0.00 H new ATOM 0 HA ASN A 123 6.049 -14.382 0.453 1.00 0.00 H new ATOM 0 HB2 ASN A 123 8.345 -15.211 -0.102 1.00 0.00 H new ATOM 0 HB3 ASN A 123 8.066 -16.564 0.976 1.00 0.00 H new ATOM 0 HD21 ASN A 123 5.867 -18.293 -1.228 1.00 0.00 H new ATOM 0 HD22 ASN A 123 6.511 -18.172 0.413 1.00 0.00 H new ATOM 1629 N GLN A 124 4.416 -15.486 1.814 1.00 0.00 N ATOM 1630 CA GLN A 124 3.290 -16.123 2.421 1.00 0.00 C ATOM 1631 C GLN A 124 2.174 -15.873 1.463 1.00 0.00 C ATOM 1632 O GLN A 124 1.485 -16.824 1.051 1.00 0.00 O ATOM 1633 CB GLN A 124 2.914 -15.503 3.781 1.00 0.00 C ATOM 1634 CG GLN A 124 3.977 -15.590 4.866 1.00 0.00 C ATOM 1635 CD GLN A 124 3.513 -15.017 6.199 1.00 0.00 C ATOM 1636 OE1 GLN A 124 3.957 -15.441 7.265 1.00 0.00 O ATOM 1637 NE2 GLN A 124 2.611 -14.064 6.159 1.00 0.00 N ATOM 1638 OXT GLN A 124 2.080 -14.706 1.001 1.00 0.00 O ATOM 0 H GLN A 124 4.143 -14.691 1.237 1.00 0.00 H new ATOM 0 HA GLN A 124 3.501 -17.175 2.612 1.00 0.00 H new ATOM 0 HB2 GLN A 124 2.667 -14.453 3.624 1.00 0.00 H new ATOM 0 HB3 GLN A 124 2.010 -15.992 4.144 1.00 0.00 H new ATOM 0 HG2 GLN A 124 4.263 -16.633 5.004 1.00 0.00 H new ATOM 0 HG3 GLN A 124 4.869 -15.056 4.538 1.00 0.00 H new ATOM 0 HE21 GLN A 124 2.260 -13.731 5.261 1.00 0.00 H new ATOM 0 HE22 GLN A 124 2.261 -13.656 7.026 1.00 0.00 H new TER 1647 GLN A 124