USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 606 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 0 MET CE :methyl 141:sc= 0 (180deg=-0.186) USER MOD Set 1.2: A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET N :NH3+ -123:sc= 0.869 (180deg=-0.112) USER MOD Single : A 2 LYS NZ :NH3+ -114:sc= 1.21 (180deg=-0.288) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= 0.803 K(o=0.8,f=0) USER MOD Single : A 7 THR OG1 : rot 95:sc= -0.0343 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.149 K(o=-0.15,f=-2.1!) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HE2:sc= -0.208 K(o=-0.21,f=-3.8) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= 0.052 K(o=0.052,f=-1) USER MOD Single : A 36 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0139) USER MOD Single : A 43 LYS NZ :NH3+ -140:sc= 0.0353 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot -80:sc= 1.28 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 0:sc= 1.12 USER MOD Single : A 76 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 10.571 3.470 7.995 1.00 0.00 N ATOM 2 CA MET A 0 10.652 2.971 6.607 1.00 0.00 C ATOM 3 C MET A 0 11.311 1.594 6.641 1.00 0.00 C ATOM 4 O MET A 0 10.829 0.757 7.405 1.00 0.00 O ATOM 5 CB MET A 0 11.214 4.003 5.605 1.00 0.00 C ATOM 6 CG MET A 0 12.628 4.526 5.889 1.00 0.00 C ATOM 7 SD MET A 0 12.699 5.792 7.178 1.00 0.00 S ATOM 8 CE MET A 0 14.419 5.568 7.712 1.00 0.00 C ATOM 0 H1 MET A 0 9.581 3.683 8.230 1.00 0.00 H new ATOM 0 H2 MET A 0 10.933 2.744 8.646 1.00 0.00 H new ATOM 0 H3 MET A 0 11.143 4.334 8.087 1.00 0.00 H new ATOM 0 HA MET A 0 9.656 2.831 6.186 1.00 0.00 H new ATOM 0 HB2 MET A 0 11.208 3.554 4.612 1.00 0.00 H new ATOM 0 HB3 MET A 0 10.534 4.854 5.573 1.00 0.00 H new ATOM 0 HG2 MET A 0 13.262 3.689 6.181 1.00 0.00 H new ATOM 0 HG3 MET A 0 13.044 4.935 4.969 1.00 0.00 H new ATOM 0 HE1 MET A 0 14.865 6.541 7.920 1.00 0.00 H new ATOM 0 HE2 MET A 0 14.443 4.957 8.615 1.00 0.00 H new ATOM 0 HE3 MET A 0 14.983 5.071 6.923 1.00 0.00 H new ATOM 18 N GLY A 1 12.350 1.291 5.847 1.00 0.00 N ATOM 19 CA GLY A 1 12.995 -0.031 5.845 1.00 0.00 C ATOM 20 C GLY A 1 12.051 -1.151 5.385 1.00 0.00 C ATOM 21 O GLY A 1 12.344 -2.340 5.545 1.00 0.00 O ATOM 0 H GLY A 1 12.765 1.953 5.191 1.00 0.00 H new ATOM 0 HA2 GLY A 1 13.866 -0.004 5.191 1.00 0.00 H new ATOM 0 HA3 GLY A 1 13.357 -0.256 6.848 1.00 0.00 H new ATOM 25 N LYS A 2 10.889 -0.779 4.863 1.00 0.00 N ATOM 26 CA LYS A 2 9.779 -1.622 4.489 1.00 0.00 C ATOM 27 C LYS A 2 9.338 -1.078 3.137 1.00 0.00 C ATOM 28 O LYS A 2 9.512 0.110 2.870 1.00 0.00 O ATOM 29 CB LYS A 2 8.712 -1.526 5.595 1.00 0.00 C ATOM 30 CG LYS A 2 7.490 -2.423 5.372 1.00 0.00 C ATOM 31 CD LYS A 2 7.787 -3.925 5.521 1.00 0.00 C ATOM 32 CE LYS A 2 6.513 -4.667 5.110 1.00 0.00 C ATOM 33 NZ LYS A 2 6.323 -5.974 5.766 1.00 0.00 N ATOM 0 H LYS A 2 10.690 0.204 4.678 1.00 0.00 H new ATOM 0 HA LYS A 2 10.005 -2.684 4.394 1.00 0.00 H new ATOM 0 HB2 LYS A 2 9.170 -1.787 6.549 1.00 0.00 H new ATOM 0 HB3 LYS A 2 8.379 -0.491 5.673 1.00 0.00 H new ATOM 0 HG2 LYS A 2 6.712 -2.144 6.082 1.00 0.00 H new ATOM 0 HG3 LYS A 2 7.092 -2.238 4.374 1.00 0.00 H new ATOM 0 HD2 LYS A 2 8.626 -4.218 4.890 1.00 0.00 H new ATOM 0 HD3 LYS A 2 8.061 -4.166 6.548 1.00 0.00 H new ATOM 0 HE2 LYS A 2 5.653 -4.035 5.333 1.00 0.00 H new ATOM 0 HE3 LYS A 2 6.528 -4.816 4.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 6.384 -6.731 5.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 7.062 -6.113 6.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 5.389 -6.001 6.222 1.00 0.00 H new ATOM 47 N ASP A 3 8.823 -1.954 2.289 1.00 0.00 N ATOM 48 CA ASP A 3 8.763 -1.739 0.850 1.00 0.00 C ATOM 49 C ASP A 3 7.318 -1.413 0.508 1.00 0.00 C ATOM 50 O ASP A 3 6.456 -2.290 0.591 1.00 0.00 O ATOM 51 CB ASP A 3 9.241 -3.037 0.195 1.00 0.00 C ATOM 52 CG ASP A 3 9.169 -3.046 -1.331 1.00 0.00 C ATOM 53 OD1 ASP A 3 8.101 -2.793 -1.917 1.00 0.00 O ATOM 54 OD2 ASP A 3 10.224 -3.415 -1.912 1.00 0.00 O ATOM 0 H ASP A 3 8.429 -2.847 2.584 1.00 0.00 H new ATOM 0 HA ASP A 3 9.389 -0.919 0.498 1.00 0.00 H new ATOM 0 HB2 ASP A 3 10.272 -3.223 0.498 1.00 0.00 H new ATOM 0 HB3 ASP A 3 8.642 -3.863 0.578 1.00 0.00 H new ATOM 59 N TYR A 4 6.999 -0.150 0.240 1.00 0.00 N ATOM 60 CA TYR A 4 5.610 0.298 0.314 1.00 0.00 C ATOM 61 C TYR A 4 4.829 -0.247 -0.882 1.00 0.00 C ATOM 62 O TYR A 4 3.637 -0.507 -0.748 1.00 0.00 O ATOM 63 CB TYR A 4 5.503 1.829 0.374 1.00 0.00 C ATOM 64 CG TYR A 4 6.001 2.481 1.662 1.00 0.00 C ATOM 65 CD1 TYR A 4 7.337 2.346 2.091 1.00 0.00 C ATOM 66 CD2 TYR A 4 5.108 3.228 2.455 1.00 0.00 C ATOM 67 CE1 TYR A 4 7.754 2.887 3.319 1.00 0.00 C ATOM 68 CE2 TYR A 4 5.515 3.781 3.682 1.00 0.00 C ATOM 69 CZ TYR A 4 6.843 3.599 4.129 1.00 0.00 C ATOM 70 OH TYR A 4 7.262 4.148 5.305 1.00 0.00 O ATOM 0 H TYR A 4 7.669 0.571 -0.026 1.00 0.00 H new ATOM 0 HA TYR A 4 5.180 -0.090 1.237 1.00 0.00 H new ATOM 0 HB2 TYR A 4 6.064 2.246 -0.462 1.00 0.00 H new ATOM 0 HB3 TYR A 4 4.459 2.107 0.228 1.00 0.00 H new ATOM 0 HD1 TYR A 4 8.047 1.821 1.469 1.00 0.00 H new ATOM 0 HD2 TYR A 4 4.094 3.378 2.115 1.00 0.00 H new ATOM 0 HE1 TYR A 4 8.776 2.758 3.644 1.00 0.00 H new ATOM 0 HE2 TYR A 4 4.814 4.343 4.281 1.00 0.00 H new ATOM 0 HH TYR A 4 6.511 4.604 5.739 1.00 0.00 H new ATOM 80 N TYR A 5 5.490 -0.482 -2.021 1.00 0.00 N ATOM 81 CA TYR A 5 4.903 -1.208 -3.133 1.00 0.00 C ATOM 82 C TYR A 5 4.456 -2.588 -2.653 1.00 0.00 C ATOM 83 O TYR A 5 3.267 -2.904 -2.692 1.00 0.00 O ATOM 84 CB TYR A 5 5.921 -1.311 -4.288 1.00 0.00 C ATOM 85 CG TYR A 5 5.939 -0.200 -5.330 1.00 0.00 C ATOM 86 CD1 TYR A 5 5.126 0.951 -5.239 1.00 0.00 C ATOM 87 CD2 TYR A 5 6.785 -0.352 -6.446 1.00 0.00 C ATOM 88 CE1 TYR A 5 5.111 1.892 -6.284 1.00 0.00 C ATOM 89 CE2 TYR A 5 6.784 0.589 -7.490 1.00 0.00 C ATOM 90 CZ TYR A 5 5.928 1.707 -7.423 1.00 0.00 C ATOM 91 OH TYR A 5 5.889 2.640 -8.413 1.00 0.00 O ATOM 0 H TYR A 5 6.447 -0.171 -2.190 1.00 0.00 H new ATOM 0 HA TYR A 5 4.029 -0.676 -3.509 1.00 0.00 H new ATOM 0 HB2 TYR A 5 6.917 -1.373 -3.850 1.00 0.00 H new ATOM 0 HB3 TYR A 5 5.742 -2.252 -4.807 1.00 0.00 H new ATOM 0 HD1 TYR A 5 4.513 1.109 -4.364 1.00 0.00 H new ATOM 0 HD2 TYR A 5 7.445 -1.205 -6.500 1.00 0.00 H new ATOM 0 HE1 TYR A 5 4.472 2.760 -6.216 1.00 0.00 H new ATOM 0 HE2 TYR A 5 7.437 0.456 -8.340 1.00 0.00 H new ATOM 0 HH TYR A 5 6.503 2.381 -9.131 1.00 0.00 H new ATOM 101 N GLN A 6 5.387 -3.440 -2.237 1.00 0.00 N ATOM 102 CA GLN A 6 5.103 -4.860 -2.093 1.00 0.00 C ATOM 103 C GLN A 6 4.402 -5.194 -0.780 1.00 0.00 C ATOM 104 O GLN A 6 3.659 -6.178 -0.732 1.00 0.00 O ATOM 105 CB GLN A 6 6.413 -5.625 -2.257 1.00 0.00 C ATOM 106 CG GLN A 6 6.165 -7.105 -2.573 1.00 0.00 C ATOM 107 CD GLN A 6 7.297 -7.698 -3.399 1.00 0.00 C ATOM 108 OE1 GLN A 6 8.157 -8.404 -2.873 1.00 0.00 O ATOM 109 NE2 GLN A 6 7.291 -7.481 -4.703 1.00 0.00 N ATOM 0 H GLN A 6 6.341 -3.172 -1.995 1.00 0.00 H new ATOM 0 HA GLN A 6 4.399 -5.163 -2.868 1.00 0.00 H new ATOM 0 HB2 GLN A 6 7.001 -5.175 -3.057 1.00 0.00 H new ATOM 0 HB3 GLN A 6 7.001 -5.541 -1.343 1.00 0.00 H new ATOM 0 HG2 GLN A 6 6.061 -7.664 -1.643 1.00 0.00 H new ATOM 0 HG3 GLN A 6 5.225 -7.210 -3.115 1.00 0.00 H new ATOM 0 HE21 GLN A 6 6.569 -6.893 -5.119 1.00 0.00 H new ATOM 0 HE22 GLN A 6 8.008 -7.902 -5.293 1.00 0.00 H new ATOM 118 N THR A 7 4.522 -4.345 0.241 1.00 0.00 N ATOM 119 CA THR A 7 3.689 -4.433 1.448 1.00 0.00 C ATOM 120 C THR A 7 2.205 -4.268 1.089 1.00 0.00 C ATOM 121 O THR A 7 1.320 -4.810 1.751 1.00 0.00 O ATOM 122 CB THR A 7 4.112 -3.350 2.461 1.00 0.00 C ATOM 123 OG1 THR A 7 5.502 -3.411 2.674 1.00 0.00 O ATOM 124 CG2 THR A 7 3.447 -3.496 3.831 1.00 0.00 C ATOM 0 H THR A 7 5.195 -3.579 0.258 1.00 0.00 H new ATOM 0 HA THR A 7 3.830 -5.416 1.898 1.00 0.00 H new ATOM 0 HB THR A 7 3.798 -2.403 2.022 1.00 0.00 H new ATOM 0 HG1 THR A 7 5.951 -2.768 2.087 1.00 0.00 H new ATOM 0 HG21 THR A 7 3.793 -2.700 4.490 1.00 0.00 H new ATOM 0 HG22 THR A 7 2.365 -3.430 3.719 1.00 0.00 H new ATOM 0 HG23 THR A 7 3.709 -4.463 4.261 1.00 0.00 H new ATOM 132 N LEU A 8 1.938 -3.578 -0.017 1.00 0.00 N ATOM 133 CA LEU A 8 0.628 -3.325 -0.589 1.00 0.00 C ATOM 134 C LEU A 8 0.413 -4.238 -1.809 1.00 0.00 C ATOM 135 O LEU A 8 -0.554 -4.082 -2.544 1.00 0.00 O ATOM 136 CB LEU A 8 0.590 -1.823 -0.904 1.00 0.00 C ATOM 137 CG LEU A 8 -0.754 -1.084 -0.999 1.00 0.00 C ATOM 138 CD1 LEU A 8 -1.462 -1.237 -2.343 1.00 0.00 C ATOM 139 CD2 LEU A 8 -1.710 -1.407 0.153 1.00 0.00 C ATOM 0 H LEU A 8 2.683 -3.155 -0.570 1.00 0.00 H new ATOM 0 HA LEU A 8 -0.196 -3.560 0.085 1.00 0.00 H new ATOM 0 HB2 LEU A 8 1.182 -1.318 -0.141 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.105 -1.679 -1.854 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.471 -0.035 -0.911 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -2.402 -0.685 -2.324 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.826 -0.844 -3.136 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -1.665 -2.292 -2.529 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -2.638 -0.851 0.022 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -1.925 -2.476 0.159 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -1.248 -1.124 1.099 1.00 0.00 H new ATOM 151 N GLY A 9 1.275 -5.237 -2.012 1.00 0.00 N ATOM 152 CA GLY A 9 1.098 -6.304 -2.981 1.00 0.00 C ATOM 153 C GLY A 9 1.790 -6.063 -4.321 1.00 0.00 C ATOM 154 O GLY A 9 1.689 -6.944 -5.177 1.00 0.00 O ATOM 0 H GLY A 9 2.144 -5.322 -1.484 1.00 0.00 H new ATOM 0 HA2 GLY A 9 1.476 -7.233 -2.553 1.00 0.00 H new ATOM 0 HA3 GLY A 9 0.032 -6.445 -3.157 1.00 0.00 H new ATOM 158 N LEU A 10 2.484 -4.939 -4.535 1.00 0.00 N ATOM 159 CA LEU A 10 3.065 -4.568 -5.829 1.00 0.00 C ATOM 160 C LEU A 10 4.539 -4.958 -5.981 1.00 0.00 C ATOM 161 O LEU A 10 5.114 -5.658 -5.151 1.00 0.00 O ATOM 162 CB LEU A 10 2.796 -3.083 -6.169 1.00 0.00 C ATOM 163 CG LEU A 10 1.345 -2.771 -6.581 1.00 0.00 C ATOM 164 CD1 LEU A 10 0.611 -3.925 -7.254 1.00 0.00 C ATOM 165 CD2 LEU A 10 0.507 -2.396 -5.390 1.00 0.00 C ATOM 0 H LEU A 10 2.660 -4.252 -3.802 1.00 0.00 H new ATOM 0 HA LEU A 10 2.545 -5.168 -6.576 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.053 -2.474 -5.303 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.462 -2.783 -6.978 1.00 0.00 H new ATOM 0 HG LEU A 10 1.456 -1.953 -7.293 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -0.402 -3.613 -7.508 1.00 0.00 H new ATOM 0 HD12 LEU A 10 1.141 -4.213 -8.162 1.00 0.00 H new ATOM 0 HD13 LEU A 10 0.569 -4.775 -6.574 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.511 -2.182 -5.715 1.00 0.00 H new ATOM 0 HD22 LEU A 10 0.495 -3.222 -4.679 1.00 0.00 H new ATOM 0 HD23 LEU A 10 0.929 -1.512 -4.912 1.00 0.00 H new ATOM 177 N ALA A 11 5.152 -4.530 -7.081 1.00 0.00 N ATOM 178 CA ALA A 11 6.578 -4.521 -7.350 1.00 0.00 C ATOM 179 C ALA A 11 6.857 -3.353 -8.281 1.00 0.00 C ATOM 180 O ALA A 11 5.931 -2.802 -8.887 1.00 0.00 O ATOM 181 CB ALA A 11 6.975 -5.773 -8.132 1.00 0.00 C ATOM 0 H ALA A 11 4.619 -4.152 -7.865 1.00 0.00 H new ATOM 0 HA ALA A 11 7.120 -4.464 -6.406 1.00 0.00 H new ATOM 0 HB1 ALA A 11 8.047 -5.755 -8.328 1.00 0.00 H new ATOM 0 HB2 ALA A 11 6.728 -6.660 -7.549 1.00 0.00 H new ATOM 0 HB3 ALA A 11 6.434 -5.798 -9.078 1.00 0.00 H new ATOM 187 N ARG A 12 8.140 -3.073 -8.505 1.00 0.00 N ATOM 188 CA ARG A 12 8.560 -2.328 -9.678 1.00 0.00 C ATOM 189 C ARG A 12 7.940 -2.984 -10.914 1.00 0.00 C ATOM 190 O ARG A 12 7.981 -4.202 -11.086 1.00 0.00 O ATOM 191 CB ARG A 12 10.093 -2.199 -9.758 1.00 0.00 C ATOM 192 CG ARG A 12 10.886 -3.380 -10.347 1.00 0.00 C ATOM 193 CD ARG A 12 10.642 -4.754 -9.691 1.00 0.00 C ATOM 194 NE ARG A 12 11.870 -5.401 -9.200 1.00 0.00 N ATOM 195 CZ ARG A 12 12.150 -6.709 -9.246 1.00 0.00 C ATOM 196 NH1 ARG A 12 11.471 -7.530 -10.043 1.00 0.00 N ATOM 197 NH2 ARG A 12 13.112 -7.202 -8.474 1.00 0.00 N ATOM 0 H ARG A 12 8.902 -3.353 -7.887 1.00 0.00 H new ATOM 0 HA ARG A 12 8.200 -1.301 -9.616 1.00 0.00 H new ATOM 0 HB2 ARG A 12 10.324 -1.313 -10.350 1.00 0.00 H new ATOM 0 HB3 ARG A 12 10.466 -2.015 -8.750 1.00 0.00 H new ATOM 0 HG2 ARG A 12 10.647 -3.459 -11.408 1.00 0.00 H new ATOM 0 HG3 ARG A 12 11.949 -3.149 -10.276 1.00 0.00 H new ATOM 0 HD2 ARG A 12 9.949 -4.632 -8.859 1.00 0.00 H new ATOM 0 HD3 ARG A 12 10.159 -5.412 -10.414 1.00 0.00 H new ATOM 0 HE ARG A 12 12.576 -4.793 -8.784 1.00 0.00 H new ATOM 0 HH11 ARG A 12 10.723 -7.165 -10.633 1.00 0.00 H new ATOM 0 HH12 ARG A 12 11.699 -8.524 -10.065 1.00 0.00 H new ATOM 0 HH21 ARG A 12 13.632 -6.585 -7.851 1.00 0.00 H new ATOM 0 HH22 ARG A 12 13.330 -8.198 -8.504 1.00 0.00 H new ATOM 211 N GLY A 13 7.308 -2.172 -11.735 1.00 0.00 N ATOM 212 CA GLY A 13 6.592 -2.556 -12.942 1.00 0.00 C ATOM 213 C GLY A 13 5.083 -2.545 -12.723 1.00 0.00 C ATOM 214 O GLY A 13 4.334 -2.643 -13.691 1.00 0.00 O ATOM 0 H GLY A 13 7.276 -1.166 -11.571 1.00 0.00 H new ATOM 0 HA2 GLY A 13 6.848 -1.873 -13.752 1.00 0.00 H new ATOM 0 HA3 GLY A 13 6.908 -3.552 -13.253 1.00 0.00 H new ATOM 218 N ALA A 14 4.610 -2.389 -11.479 1.00 0.00 N ATOM 219 CA ALA A 14 3.225 -2.030 -11.222 1.00 0.00 C ATOM 220 C ALA A 14 2.966 -0.595 -11.691 1.00 0.00 C ATOM 221 O ALA A 14 3.886 0.178 -11.960 1.00 0.00 O ATOM 222 CB ALA A 14 2.930 -2.156 -9.728 1.00 0.00 C ATOM 0 H ALA A 14 5.175 -2.508 -10.638 1.00 0.00 H new ATOM 0 HA ALA A 14 2.569 -2.705 -11.772 1.00 0.00 H new ATOM 0 HB1 ALA A 14 1.891 -1.886 -9.538 1.00 0.00 H new ATOM 0 HB2 ALA A 14 3.102 -3.184 -9.409 1.00 0.00 H new ATOM 0 HB3 ALA A 14 3.586 -1.488 -9.170 1.00 0.00 H new ATOM 228 N SER A 15 1.695 -0.226 -11.739 1.00 0.00 N ATOM 229 CA SER A 15 1.177 1.092 -12.065 1.00 0.00 C ATOM 230 C SER A 15 -0.050 1.341 -11.192 1.00 0.00 C ATOM 231 O SER A 15 -0.447 0.468 -10.417 1.00 0.00 O ATOM 232 CB SER A 15 0.903 1.155 -13.578 1.00 0.00 C ATOM 233 OG SER A 15 0.257 -0.014 -14.053 1.00 0.00 O ATOM 0 H SER A 15 0.946 -0.888 -11.536 1.00 0.00 H new ATOM 0 HA SER A 15 1.888 1.891 -11.853 1.00 0.00 H new ATOM 0 HB2 SER A 15 0.284 2.025 -13.798 1.00 0.00 H new ATOM 0 HB3 SER A 15 1.844 1.290 -14.111 1.00 0.00 H new ATOM 0 HG SER A 15 0.100 0.068 -15.017 1.00 0.00 H new ATOM 239 N ASP A 16 -0.659 2.521 -11.278 1.00 0.00 N ATOM 240 CA ASP A 16 -1.763 2.878 -10.388 1.00 0.00 C ATOM 241 C ASP A 16 -2.990 1.967 -10.558 1.00 0.00 C ATOM 242 O ASP A 16 -3.758 1.788 -9.618 1.00 0.00 O ATOM 243 CB ASP A 16 -2.151 4.356 -10.521 1.00 0.00 C ATOM 244 CG ASP A 16 -2.810 4.667 -11.860 1.00 0.00 C ATOM 245 OD1 ASP A 16 -2.085 4.954 -12.842 1.00 0.00 O ATOM 246 OD2 ASP A 16 -4.043 4.556 -11.994 1.00 0.00 O ATOM 0 H ASP A 16 -0.409 3.245 -11.952 1.00 0.00 H new ATOM 0 HA ASP A 16 -1.391 2.719 -9.376 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -2.832 4.624 -9.713 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.261 4.974 -10.405 1.00 0.00 H new ATOM 251 N GLU A 17 -3.148 1.315 -11.713 1.00 0.00 N ATOM 252 CA GLU A 17 -4.209 0.344 -11.963 1.00 0.00 C ATOM 253 C GLU A 17 -3.825 -1.063 -11.503 1.00 0.00 C ATOM 254 O GLU A 17 -4.657 -1.970 -11.543 1.00 0.00 O ATOM 255 CB GLU A 17 -4.613 0.409 -13.446 1.00 0.00 C ATOM 256 CG GLU A 17 -6.082 0.829 -13.592 1.00 0.00 C ATOM 257 CD GLU A 17 -6.578 0.663 -15.026 1.00 0.00 C ATOM 258 OE1 GLU A 17 -6.343 1.590 -15.834 1.00 0.00 O ATOM 259 OE2 GLU A 17 -7.162 -0.407 -15.320 1.00 0.00 O ATOM 0 H GLU A 17 -2.530 1.452 -12.513 1.00 0.00 H new ATOM 0 HA GLU A 17 -5.081 0.603 -11.363 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -3.973 1.118 -13.971 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -4.460 -0.564 -13.912 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -6.700 0.231 -12.922 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -6.195 1.869 -13.286 1.00 0.00 H new ATOM 266 N GLU A 18 -2.594 -1.270 -11.042 1.00 0.00 N ATOM 267 CA GLU A 18 -2.272 -2.406 -10.200 1.00 0.00 C ATOM 268 C GLU A 18 -2.625 -1.989 -8.765 1.00 0.00 C ATOM 269 O GLU A 18 -3.156 -2.806 -8.025 1.00 0.00 O ATOM 270 CB GLU A 18 -0.774 -2.726 -10.313 1.00 0.00 C ATOM 271 CG GLU A 18 -0.446 -4.167 -10.760 1.00 0.00 C ATOM 272 CD GLU A 18 -0.949 -5.316 -9.869 1.00 0.00 C ATOM 273 OE1 GLU A 18 -2.180 -5.513 -9.741 1.00 0.00 O ATOM 274 OE2 GLU A 18 -0.106 -6.101 -9.365 1.00 0.00 O ATOM 0 H GLU A 18 -1.803 -0.658 -11.242 1.00 0.00 H new ATOM 0 HA GLU A 18 -2.824 -3.298 -10.496 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -0.322 -2.031 -11.020 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -0.306 -2.546 -9.345 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.856 -4.311 -11.759 1.00 0.00 H new ATOM 0 HG3 GLU A 18 0.637 -4.255 -10.844 1.00 0.00 H new ATOM 281 N ILE A 19 -2.382 -0.725 -8.375 1.00 0.00 N ATOM 282 CA ILE A 19 -2.609 -0.206 -7.029 1.00 0.00 C ATOM 283 C ILE A 19 -4.092 -0.294 -6.701 1.00 0.00 C ATOM 284 O ILE A 19 -4.457 -1.062 -5.821 1.00 0.00 O ATOM 285 CB ILE A 19 -2.017 1.203 -6.824 1.00 0.00 C ATOM 286 CG1 ILE A 19 -0.480 1.103 -6.945 1.00 0.00 C ATOM 287 CG2 ILE A 19 -2.445 1.762 -5.454 1.00 0.00 C ATOM 288 CD1 ILE A 19 0.240 2.433 -6.749 1.00 0.00 C ATOM 0 H ILE A 19 -2.011 -0.021 -9.013 1.00 0.00 H new ATOM 0 HA ILE A 19 -2.068 -0.828 -6.316 1.00 0.00 H new ATOM 0 HB ILE A 19 -2.389 1.891 -7.583 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.112 0.389 -6.208 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.227 0.705 -7.928 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.022 2.757 -5.319 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -3.532 1.821 -5.409 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.084 1.104 -4.664 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.315 2.283 -6.848 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.098 3.144 -7.502 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.018 2.824 -5.756 1.00 0.00 H new ATOM 300 N LYS A 20 -4.961 0.446 -7.397 1.00 0.00 N ATOM 301 CA LYS A 20 -6.406 0.453 -7.148 1.00 0.00 C ATOM 302 C LYS A 20 -7.007 -0.951 -7.116 1.00 0.00 C ATOM 303 O LYS A 20 -8.042 -1.158 -6.483 1.00 0.00 O ATOM 304 CB LYS A 20 -7.120 1.287 -8.222 1.00 0.00 C ATOM 305 CG LYS A 20 -7.004 2.807 -8.047 1.00 0.00 C ATOM 306 CD LYS A 20 -7.709 3.321 -6.781 1.00 0.00 C ATOM 307 CE LYS A 20 -8.199 4.751 -7.025 1.00 0.00 C ATOM 308 NZ LYS A 20 -8.871 5.337 -5.847 1.00 0.00 N ATOM 0 H LYS A 20 -4.678 1.064 -8.158 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.554 0.895 -6.163 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -6.716 1.017 -9.198 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -8.176 1.017 -8.228 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.950 3.083 -8.007 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -7.430 3.301 -8.920 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -8.549 2.674 -6.529 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -7.024 3.298 -5.934 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -7.352 5.378 -7.303 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.888 4.754 -7.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -9.181 6.304 -6.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -9.697 4.758 -5.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -8.208 5.362 -5.046 1.00 0.00 H new ATOM 322 N ARG A 21 -6.377 -1.923 -7.772 1.00 0.00 N ATOM 323 CA ARG A 21 -6.714 -3.333 -7.669 1.00 0.00 C ATOM 324 C ARG A 21 -6.175 -3.913 -6.350 1.00 0.00 C ATOM 325 O ARG A 21 -6.963 -4.343 -5.507 1.00 0.00 O ATOM 326 CB ARG A 21 -6.191 -4.039 -8.938 1.00 0.00 C ATOM 327 CG ARG A 21 -7.320 -4.721 -9.738 1.00 0.00 C ATOM 328 CD ARG A 21 -8.067 -3.755 -10.670 1.00 0.00 C ATOM 329 NE ARG A 21 -7.164 -3.273 -11.723 1.00 0.00 N ATOM 330 CZ ARG A 21 -7.456 -2.702 -12.894 1.00 0.00 C ATOM 331 NH1 ARG A 21 -8.694 -2.379 -13.252 1.00 0.00 N ATOM 332 NH2 ARG A 21 -6.456 -2.446 -13.717 1.00 0.00 N ATOM 0 H ARG A 21 -5.598 -1.742 -8.405 1.00 0.00 H new ATOM 0 HA ARG A 21 -7.792 -3.492 -7.627 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -5.687 -3.311 -9.574 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -5.448 -4.785 -8.656 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -6.898 -5.534 -10.329 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -8.031 -5.168 -9.043 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -8.924 -4.258 -11.117 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -8.455 -2.912 -10.098 1.00 0.00 H new ATOM 0 HE ARG A 21 -6.169 -3.392 -11.532 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -9.473 -2.566 -12.620 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -8.866 -1.944 -14.158 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -5.501 -2.684 -13.449 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -6.638 -2.010 -14.621 1.00 0.00 H new ATOM 346 N ALA A 22 -4.853 -3.911 -6.170 1.00 0.00 N ATOM 347 CA ALA A 22 -4.104 -4.500 -5.063 1.00 0.00 C ATOM 348 C ALA A 22 -4.583 -3.987 -3.719 1.00 0.00 C ATOM 349 O ALA A 22 -4.979 -4.795 -2.898 1.00 0.00 O ATOM 350 CB ALA A 22 -2.603 -4.234 -5.223 1.00 0.00 C ATOM 0 H ALA A 22 -4.234 -3.464 -6.846 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.281 -5.575 -5.091 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -2.063 -4.681 -4.388 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.253 -4.673 -6.158 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -2.423 -3.159 -5.237 1.00 0.00 H new ATOM 356 N TYR A 23 -4.606 -2.674 -3.505 1.00 0.00 N ATOM 357 CA TYR A 23 -5.101 -2.007 -2.321 1.00 0.00 C ATOM 358 C TYR A 23 -6.408 -2.576 -1.791 1.00 0.00 C ATOM 359 O TYR A 23 -6.391 -3.146 -0.695 1.00 0.00 O ATOM 360 CB TYR A 23 -4.992 -0.503 -2.634 1.00 0.00 C ATOM 361 CG TYR A 23 -6.159 0.386 -2.329 1.00 0.00 C ATOM 362 CD1 TYR A 23 -7.178 0.382 -3.309 1.00 0.00 C ATOM 363 CD2 TYR A 23 -6.170 1.314 -1.290 1.00 0.00 C ATOM 364 CE1 TYR A 23 -8.251 1.272 -3.218 1.00 0.00 C ATOM 365 CE2 TYR A 23 -7.237 2.221 -1.196 1.00 0.00 C ATOM 366 CZ TYR A 23 -8.271 2.189 -2.160 1.00 0.00 C ATOM 367 OH TYR A 23 -9.341 3.012 -2.028 1.00 0.00 O ATOM 0 H TYR A 23 -4.257 -2.014 -4.200 1.00 0.00 H new ATOM 0 HA TYR A 23 -4.508 -2.195 -1.426 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -4.131 -0.115 -2.090 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -4.770 -0.403 -3.696 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -7.127 -0.314 -4.133 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -5.368 1.335 -0.567 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -9.047 1.253 -3.947 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -7.268 2.940 -0.391 1.00 0.00 H new ATOM 0 HH TYR A 23 -9.214 3.592 -1.248 1.00 0.00 H new ATOM 377 N ARG A 24 -7.512 -2.558 -2.535 1.00 0.00 N ATOM 378 CA ARG A 24 -8.752 -3.078 -1.971 1.00 0.00 C ATOM 379 C ARG A 24 -8.632 -4.563 -1.628 1.00 0.00 C ATOM 380 O ARG A 24 -9.043 -4.959 -0.537 1.00 0.00 O ATOM 381 CB ARG A 24 -9.967 -2.736 -2.838 1.00 0.00 C ATOM 382 CG ARG A 24 -9.902 -3.181 -4.305 1.00 0.00 C ATOM 383 CD ARG A 24 -11.278 -3.586 -4.843 1.00 0.00 C ATOM 384 NE ARG A 24 -11.739 -4.857 -4.263 1.00 0.00 N ATOM 385 CZ ARG A 24 -11.359 -6.082 -4.639 1.00 0.00 C ATOM 386 NH1 ARG A 24 -10.328 -6.245 -5.469 1.00 0.00 N ATOM 387 NH2 ARG A 24 -12.025 -7.124 -4.163 1.00 0.00 N ATOM 0 H ARG A 24 -7.574 -2.205 -3.490 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.928 -2.569 -1.023 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.850 -3.186 -2.383 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -10.111 -1.656 -2.814 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -9.499 -2.370 -4.912 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -9.214 -4.021 -4.399 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -12.001 -2.801 -4.620 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -11.231 -3.677 -5.928 1.00 0.00 H new ATOM 0 HE ARG A 24 -12.414 -4.798 -3.500 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -9.823 -5.432 -5.821 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -10.044 -7.183 -5.751 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -12.808 -6.981 -3.525 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -11.755 -8.069 -4.435 1.00 0.00 H new ATOM 401 N ARG A 25 -8.022 -5.392 -2.489 1.00 0.00 N ATOM 402 CA ARG A 25 -7.890 -6.815 -2.166 1.00 0.00 C ATOM 403 C ARG A 25 -6.888 -7.081 -1.035 1.00 0.00 C ATOM 404 O ARG A 25 -6.992 -8.119 -0.385 1.00 0.00 O ATOM 405 CB ARG A 25 -7.631 -7.692 -3.404 1.00 0.00 C ATOM 406 CG ARG A 25 -6.265 -7.541 -4.098 1.00 0.00 C ATOM 407 CD ARG A 25 -5.846 -8.840 -4.807 1.00 0.00 C ATOM 408 NE ARG A 25 -5.571 -9.916 -3.840 1.00 0.00 N ATOM 409 CZ ARG A 25 -4.527 -9.990 -3.002 1.00 0.00 C ATOM 410 NH1 ARG A 25 -3.453 -9.216 -3.151 1.00 0.00 N ATOM 411 NH2 ARG A 25 -4.587 -10.841 -1.985 1.00 0.00 N ATOM 0 H ARG A 25 -7.625 -5.111 -3.386 1.00 0.00 H new ATOM 0 HA ARG A 25 -8.864 -7.119 -1.783 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -7.747 -8.735 -3.110 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -8.408 -7.479 -4.138 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -6.312 -6.728 -4.823 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -5.510 -7.268 -3.361 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -6.636 -9.155 -5.489 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -4.958 -8.656 -5.411 1.00 0.00 H new ATOM 0 HE ARG A 25 -6.243 -10.683 -3.804 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -3.410 -8.545 -3.918 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -2.673 -9.294 -2.498 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -5.415 -11.421 -1.854 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -3.805 -10.914 -1.335 1.00 0.00 H new ATOM 425 N GLN A 26 -5.941 -6.178 -0.780 1.00 0.00 N ATOM 426 CA GLN A 26 -4.965 -6.259 0.295 1.00 0.00 C ATOM 427 C GLN A 26 -5.659 -6.028 1.629 1.00 0.00 C ATOM 428 O GLN A 26 -5.480 -6.842 2.530 1.00 0.00 O ATOM 429 CB GLN A 26 -3.846 -5.224 0.079 1.00 0.00 C ATOM 430 CG GLN A 26 -2.645 -5.740 -0.720 1.00 0.00 C ATOM 431 CD GLN A 26 -1.957 -6.976 -0.145 1.00 0.00 C ATOM 432 OE1 GLN A 26 -1.829 -7.994 -0.819 1.00 0.00 O ATOM 433 NE2 GLN A 26 -1.466 -6.926 1.084 1.00 0.00 N ATOM 0 H GLN A 26 -5.833 -5.335 -1.344 1.00 0.00 H new ATOM 0 HA GLN A 26 -4.513 -7.251 0.298 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -4.264 -4.359 -0.436 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -3.497 -4.878 1.052 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -2.975 -5.968 -1.733 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -1.910 -4.939 -0.797 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -1.574 -6.079 1.642 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -0.980 -7.734 1.472 1.00 0.00 H new ATOM 442 N ALA A 27 -6.488 -4.984 1.758 1.00 0.00 N ATOM 443 CA ALA A 27 -7.330 -4.847 2.944 1.00 0.00 C ATOM 444 C ALA A 27 -8.185 -6.106 3.071 1.00 0.00 C ATOM 445 O ALA A 27 -8.165 -6.769 4.107 1.00 0.00 O ATOM 446 CB ALA A 27 -8.220 -3.600 2.887 1.00 0.00 C ATOM 0 H ALA A 27 -6.590 -4.239 1.069 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.687 -4.728 3.816 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -8.826 -3.544 3.791 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.595 -2.710 2.813 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.873 -3.658 2.016 1.00 0.00 H new ATOM 452 N LEU A 28 -8.885 -6.476 1.993 1.00 0.00 N ATOM 453 CA LEU A 28 -9.793 -7.616 1.972 1.00 0.00 C ATOM 454 C LEU A 28 -9.107 -8.934 2.362 1.00 0.00 C ATOM 455 O LEU A 28 -9.797 -9.862 2.782 1.00 0.00 O ATOM 456 CB LEU A 28 -10.428 -7.741 0.579 1.00 0.00 C ATOM 457 CG LEU A 28 -11.703 -8.601 0.519 1.00 0.00 C ATOM 458 CD1 LEU A 28 -12.906 -7.867 1.120 1.00 0.00 C ATOM 459 CD2 LEU A 28 -11.992 -8.946 -0.941 1.00 0.00 C ATOM 0 H LEU A 28 -8.832 -5.982 1.102 1.00 0.00 H new ATOM 0 HA LEU A 28 -10.563 -7.432 2.721 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -10.665 -6.742 0.213 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -9.690 -8.164 -0.103 1.00 0.00 H new ATOM 0 HG LEU A 28 -11.540 -9.506 1.104 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -13.788 -8.505 1.060 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -12.702 -7.627 2.163 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -13.085 -6.947 0.564 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -12.894 -9.556 -0.999 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -12.138 -8.028 -1.510 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -11.151 -9.501 -1.357 1.00 0.00 H new ATOM 471 N ARG A 29 -7.780 -9.058 2.256 1.00 0.00 N ATOM 472 CA ARG A 29 -7.059 -10.268 2.613 1.00 0.00 C ATOM 473 C ARG A 29 -7.019 -10.487 4.126 1.00 0.00 C ATOM 474 O ARG A 29 -6.904 -11.643 4.531 1.00 0.00 O ATOM 475 CB ARG A 29 -5.650 -10.180 2.006 1.00 0.00 C ATOM 476 CG ARG A 29 -4.728 -11.340 2.383 1.00 0.00 C ATOM 477 CD ARG A 29 -5.221 -12.715 1.946 1.00 0.00 C ATOM 478 NE ARG A 29 -4.372 -13.777 2.506 1.00 0.00 N ATOM 479 CZ ARG A 29 -4.585 -14.455 3.643 1.00 0.00 C ATOM 480 NH1 ARG A 29 -5.553 -14.121 4.493 1.00 0.00 N ATOM 481 NH2 ARG A 29 -3.817 -15.495 3.917 1.00 0.00 N ATOM 0 H ARG A 29 -7.177 -8.309 1.916 1.00 0.00 H new ATOM 0 HA ARG A 29 -7.579 -11.136 2.208 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.737 -10.139 0.920 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -5.188 -9.246 2.325 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -3.747 -11.164 1.942 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -4.595 -11.344 3.465 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -6.251 -12.857 2.272 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -5.219 -12.778 0.858 1.00 0.00 H new ATOM 0 HE ARG A 29 -3.536 -14.023 1.976 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -6.160 -13.328 4.288 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -5.688 -14.659 5.349 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -3.079 -15.769 3.269 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -3.963 -16.024 4.777 1.00 0.00 H new ATOM 495 N TYR A 30 -7.097 -9.433 4.943 1.00 0.00 N ATOM 496 CA TYR A 30 -6.840 -9.527 6.387 1.00 0.00 C ATOM 497 C TYR A 30 -7.825 -8.735 7.261 1.00 0.00 C ATOM 498 O TYR A 30 -7.812 -8.917 8.475 1.00 0.00 O ATOM 499 CB TYR A 30 -5.414 -9.030 6.689 1.00 0.00 C ATOM 500 CG TYR A 30 -4.286 -9.689 5.913 1.00 0.00 C ATOM 501 CD1 TYR A 30 -3.730 -10.914 6.334 1.00 0.00 C ATOM 502 CD2 TYR A 30 -3.765 -9.044 4.778 1.00 0.00 C ATOM 503 CE1 TYR A 30 -2.653 -11.484 5.626 1.00 0.00 C ATOM 504 CE2 TYR A 30 -2.682 -9.599 4.075 1.00 0.00 C ATOM 505 CZ TYR A 30 -2.118 -10.821 4.496 1.00 0.00 C ATOM 506 OH TYR A 30 -1.092 -11.370 3.788 1.00 0.00 O ATOM 0 H TYR A 30 -7.339 -8.494 4.626 1.00 0.00 H new ATOM 0 HA TYR A 30 -6.968 -10.579 6.641 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -5.379 -7.958 6.497 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -5.223 -9.169 7.753 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -4.131 -11.417 7.202 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -4.201 -8.114 4.443 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -2.236 -12.427 5.946 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -2.281 -9.089 3.211 1.00 0.00 H new ATOM 0 HH TYR A 30 -0.854 -10.778 3.045 1.00 0.00 H new ATOM 516 N HIS A 31 -8.650 -7.847 6.696 1.00 0.00 N ATOM 517 CA HIS A 31 -9.370 -6.814 7.441 1.00 0.00 C ATOM 518 C HIS A 31 -10.148 -7.405 8.632 1.00 0.00 C ATOM 519 O HIS A 31 -11.056 -8.215 8.418 1.00 0.00 O ATOM 520 CB HIS A 31 -10.289 -6.036 6.491 1.00 0.00 C ATOM 521 CG HIS A 31 -10.970 -4.855 7.125 1.00 0.00 C ATOM 522 ND1 HIS A 31 -10.361 -3.854 7.851 1.00 0.00 N ATOM 523 CD2 HIS A 31 -12.290 -4.527 6.986 1.00 0.00 C ATOM 524 CE1 HIS A 31 -11.301 -2.955 8.170 1.00 0.00 C ATOM 525 NE2 HIS A 31 -12.483 -3.304 7.636 1.00 0.00 N ATOM 0 H HIS A 31 -8.838 -7.827 5.694 1.00 0.00 H new ATOM 0 HA HIS A 31 -8.642 -6.121 7.864 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -9.704 -5.690 5.639 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -11.049 -6.714 6.102 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -9.373 -3.807 8.100 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -13.043 -5.105 6.470 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -11.132 -2.074 8.772 1.00 0.00 H new ATOM 533 N PRO A 32 -9.832 -7.030 9.888 1.00 0.00 N ATOM 534 CA PRO A 32 -10.347 -7.713 11.075 1.00 0.00 C ATOM 535 C PRO A 32 -11.864 -7.579 11.237 1.00 0.00 C ATOM 536 O PRO A 32 -12.477 -8.418 11.891 1.00 0.00 O ATOM 537 CB PRO A 32 -9.599 -7.105 12.265 1.00 0.00 C ATOM 538 CG PRO A 32 -9.182 -5.726 11.757 1.00 0.00 C ATOM 539 CD PRO A 32 -8.889 -5.998 10.288 1.00 0.00 C ATOM 0 HA PRO A 32 -10.178 -8.787 10.994 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -10.237 -7.032 13.146 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -8.735 -7.707 12.546 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -9.975 -4.989 11.884 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -8.306 -5.346 12.283 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -9.017 -5.096 9.689 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -7.860 -6.331 10.148 1.00 0.00 H new ATOM 547 N ASP A 33 -12.485 -6.605 10.566 1.00 0.00 N ATOM 548 CA ASP A 33 -13.915 -6.331 10.695 1.00 0.00 C ATOM 549 C ASP A 33 -14.728 -7.271 9.792 1.00 0.00 C ATOM 550 O ASP A 33 -15.956 -7.343 9.876 1.00 0.00 O ATOM 551 CB ASP A 33 -14.170 -4.873 10.272 1.00 0.00 C ATOM 552 CG ASP A 33 -15.277 -4.215 11.090 1.00 0.00 C ATOM 553 OD1 ASP A 33 -16.468 -4.271 10.716 1.00 0.00 O ATOM 554 OD2 ASP A 33 -14.941 -3.598 12.130 1.00 0.00 O ATOM 0 H ASP A 33 -12.006 -5.983 9.915 1.00 0.00 H new ATOM 0 HA ASP A 33 -14.223 -6.492 11.728 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -13.250 -4.299 10.383 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -14.437 -4.846 9.216 1.00 0.00 H new ATOM 559 N LYS A 34 -14.037 -8.006 8.912 1.00 0.00 N ATOM 560 CA LYS A 34 -14.597 -8.765 7.798 1.00 0.00 C ATOM 561 C LYS A 34 -13.989 -10.170 7.713 1.00 0.00 C ATOM 562 O LYS A 34 -14.629 -11.040 7.121 1.00 0.00 O ATOM 563 CB LYS A 34 -14.377 -7.906 6.537 1.00 0.00 C ATOM 564 CG LYS A 34 -14.564 -8.544 5.154 1.00 0.00 C ATOM 565 CD LYS A 34 -16.005 -8.893 4.756 1.00 0.00 C ATOM 566 CE LYS A 34 -16.013 -8.957 3.221 1.00 0.00 C ATOM 567 NZ LYS A 34 -17.104 -9.773 2.656 1.00 0.00 N ATOM 0 H LYS A 34 -13.022 -8.088 8.964 1.00 0.00 H new ATOM 0 HA LYS A 34 -15.663 -8.951 7.925 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -15.053 -7.053 6.599 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -13.362 -7.512 6.582 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -14.157 -7.864 4.406 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -13.968 -9.455 5.114 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -16.310 -9.846 5.188 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -16.704 -8.140 5.119 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -16.090 -7.944 2.827 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -15.059 -9.360 2.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -17.041 -9.766 1.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -17.021 -10.750 3.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -18.020 -9.378 2.950 1.00 0.00 H new ATOM 581 N ASN A 35 -12.833 -10.432 8.332 1.00 0.00 N ATOM 582 CA ASN A 35 -12.216 -11.750 8.390 1.00 0.00 C ATOM 583 C ASN A 35 -12.611 -12.359 9.726 1.00 0.00 C ATOM 584 O ASN A 35 -13.653 -13.007 9.783 1.00 0.00 O ATOM 585 CB ASN A 35 -10.693 -11.661 8.147 1.00 0.00 C ATOM 586 CG ASN A 35 -10.382 -11.580 6.655 1.00 0.00 C ATOM 587 OD1 ASN A 35 -11.161 -11.055 5.868 1.00 0.00 O ATOM 588 ND2 ASN A 35 -9.253 -12.098 6.219 1.00 0.00 N ATOM 0 H ASN A 35 -12.293 -9.714 8.815 1.00 0.00 H new ATOM 0 HA ASN A 35 -12.569 -12.406 7.594 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -10.291 -10.784 8.654 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -10.201 -12.533 8.578 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -9.026 -12.063 5.225 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -8.605 -12.535 6.875 1.00 0.00 H new ATOM 595 N LYS A 36 -11.809 -12.098 10.774 1.00 0.00 N ATOM 596 CA LYS A 36 -11.869 -12.451 12.204 1.00 0.00 C ATOM 597 C LYS A 36 -10.486 -12.794 12.762 1.00 0.00 C ATOM 598 O LYS A 36 -10.297 -12.782 13.976 1.00 0.00 O ATOM 599 CB LYS A 36 -12.772 -13.655 12.487 1.00 0.00 C ATOM 600 CG LYS A 36 -14.204 -13.240 12.840 1.00 0.00 C ATOM 601 CD LYS A 36 -15.132 -14.452 12.988 1.00 0.00 C ATOM 602 CE LYS A 36 -16.390 -14.107 13.798 1.00 0.00 C ATOM 603 NZ LYS A 36 -17.166 -12.990 13.225 1.00 0.00 N ATOM 0 H LYS A 36 -10.969 -11.545 10.606 1.00 0.00 H new ATOM 0 HA LYS A 36 -12.277 -11.564 12.688 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -12.790 -14.306 11.613 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -12.352 -14.236 13.308 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -14.198 -12.672 13.770 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -14.592 -12.579 12.065 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -15.422 -14.811 12.001 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -14.595 -15.264 13.478 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -17.027 -14.989 13.859 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -16.099 -13.853 14.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -18.027 -12.841 13.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -16.590 -12.124 13.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -17.429 -13.217 12.245 1.00 0.00 H new ATOM 617 N GLU A 37 -9.553 -13.148 11.883 1.00 0.00 N ATOM 618 CA GLU A 37 -8.353 -13.902 12.201 1.00 0.00 C ATOM 619 C GLU A 37 -7.417 -13.183 13.200 1.00 0.00 C ATOM 620 O GLU A 37 -7.213 -11.969 13.083 1.00 0.00 O ATOM 621 CB GLU A 37 -7.696 -14.196 10.849 1.00 0.00 C ATOM 622 CG GLU A 37 -6.439 -15.060 10.932 1.00 0.00 C ATOM 623 CD GLU A 37 -5.889 -15.331 9.536 1.00 0.00 C ATOM 624 OE1 GLU A 37 -5.152 -14.477 8.990 1.00 0.00 O ATOM 625 OE2 GLU A 37 -6.277 -16.362 8.933 1.00 0.00 O ATOM 0 H GLU A 37 -9.618 -12.907 10.894 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.595 -14.823 12.731 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -8.422 -14.694 10.207 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.441 -13.251 10.370 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -5.684 -14.558 11.536 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -6.670 -16.003 11.429 1.00 0.00 H new ATOM 632 N PRO A 38 -6.803 -13.894 14.168 1.00 0.00 N ATOM 633 CA PRO A 38 -5.793 -13.320 15.056 1.00 0.00 C ATOM 634 C PRO A 38 -4.555 -12.917 14.251 1.00 0.00 C ATOM 635 O PRO A 38 -4.183 -13.578 13.280 1.00 0.00 O ATOM 636 CB PRO A 38 -5.467 -14.412 16.081 1.00 0.00 C ATOM 637 CG PRO A 38 -5.781 -15.702 15.328 1.00 0.00 C ATOM 638 CD PRO A 38 -6.989 -15.304 14.484 1.00 0.00 C ATOM 0 HA PRO A 38 -6.148 -12.418 15.554 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -4.424 -14.372 16.394 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -6.074 -14.313 16.981 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -4.943 -16.026 14.711 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -6.013 -16.523 16.007 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -7.047 -15.904 13.576 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -7.918 -15.463 15.031 1.00 0.00 H new ATOM 646 N GLY A 39 -3.909 -11.820 14.635 1.00 0.00 N ATOM 647 CA GLY A 39 -2.753 -11.248 13.958 1.00 0.00 C ATOM 648 C GLY A 39 -3.095 -10.566 12.630 1.00 0.00 C ATOM 649 O GLY A 39 -2.291 -9.778 12.130 1.00 0.00 O ATOM 0 H GLY A 39 -4.188 -11.286 15.458 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -2.279 -10.522 14.618 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.023 -12.036 13.774 1.00 0.00 H new ATOM 653 N ALA A 40 -4.277 -10.811 12.057 1.00 0.00 N ATOM 654 CA ALA A 40 -4.704 -10.172 10.821 1.00 0.00 C ATOM 655 C ALA A 40 -4.991 -8.681 11.043 1.00 0.00 C ATOM 656 O ALA A 40 -4.809 -7.881 10.132 1.00 0.00 O ATOM 657 CB ALA A 40 -5.912 -10.915 10.262 1.00 0.00 C ATOM 0 H ALA A 40 -4.962 -11.461 12.443 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.900 -10.225 10.086 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.235 -10.439 9.336 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.641 -11.952 10.062 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.725 -10.886 10.988 1.00 0.00 H new ATOM 663 N GLU A 41 -5.367 -8.289 12.265 1.00 0.00 N ATOM 664 CA GLU A 41 -5.514 -6.894 12.681 1.00 0.00 C ATOM 665 C GLU A 41 -4.177 -6.149 12.597 1.00 0.00 C ATOM 666 O GLU A 41 -4.144 -5.011 12.123 1.00 0.00 O ATOM 667 CB GLU A 41 -6.199 -6.858 14.066 1.00 0.00 C ATOM 668 CG GLU A 41 -5.714 -5.843 15.118 1.00 0.00 C ATOM 669 CD GLU A 41 -4.720 -6.485 16.087 1.00 0.00 C ATOM 670 OE1 GLU A 41 -5.157 -7.316 16.917 1.00 0.00 O ATOM 671 OE2 GLU A 41 -3.501 -6.230 15.993 1.00 0.00 O ATOM 0 H GLU A 41 -5.583 -8.952 13.010 1.00 0.00 H new ATOM 0 HA GLU A 41 -6.164 -6.349 11.997 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -7.261 -6.678 13.902 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -6.108 -7.852 14.503 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -5.244 -4.995 14.620 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -6.568 -5.454 15.673 1.00 0.00 H new ATOM 678 N GLU A 42 -3.082 -6.798 12.995 1.00 0.00 N ATOM 679 CA GLU A 42 -1.742 -6.241 12.870 1.00 0.00 C ATOM 680 C GLU A 42 -1.383 -6.126 11.396 1.00 0.00 C ATOM 681 O GLU A 42 -0.900 -5.093 10.954 1.00 0.00 O ATOM 682 CB GLU A 42 -0.733 -7.099 13.641 1.00 0.00 C ATOM 683 CG GLU A 42 0.723 -6.639 13.475 1.00 0.00 C ATOM 684 CD GLU A 42 0.981 -5.193 13.910 1.00 0.00 C ATOM 685 OE1 GLU A 42 0.413 -4.747 14.931 1.00 0.00 O ATOM 686 OE2 GLU A 42 1.859 -4.533 13.312 1.00 0.00 O ATOM 0 H GLU A 42 -3.104 -7.728 13.414 1.00 0.00 H new ATOM 0 HA GLU A 42 -1.712 -5.243 13.307 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -0.991 -7.084 14.700 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.818 -8.133 13.307 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.369 -7.300 14.053 1.00 0.00 H new ATOM 0 HG3 GLU A 42 1.009 -6.748 12.429 1.00 0.00 H new ATOM 693 N LYS A 43 -1.647 -7.167 10.611 1.00 0.00 N ATOM 694 CA LYS A 43 -1.391 -7.191 9.185 1.00 0.00 C ATOM 695 C LYS A 43 -2.138 -6.059 8.480 1.00 0.00 C ATOM 696 O LYS A 43 -1.555 -5.371 7.646 1.00 0.00 O ATOM 697 CB LYS A 43 -1.746 -8.584 8.638 1.00 0.00 C ATOM 698 CG LYS A 43 -0.500 -9.379 8.222 1.00 0.00 C ATOM 699 CD LYS A 43 0.355 -9.781 9.435 1.00 0.00 C ATOM 700 CE LYS A 43 -0.244 -10.977 10.178 1.00 0.00 C ATOM 701 NZ LYS A 43 0.397 -11.156 11.494 1.00 0.00 N ATOM 0 H LYS A 43 -2.054 -8.034 10.962 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.333 -7.016 8.988 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.294 -9.142 9.397 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.410 -8.477 7.780 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.805 -10.274 7.680 1.00 0.00 H new ATOM 0 HG3 LYS A 43 0.100 -8.781 7.537 1.00 0.00 H new ATOM 0 HD2 LYS A 43 1.364 -10.027 9.104 1.00 0.00 H new ATOM 0 HD3 LYS A 43 0.440 -8.935 10.117 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.316 -10.829 10.309 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -0.117 -11.881 9.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 0.539 -12.170 11.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 1.317 -10.671 11.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.212 -10.753 12.235 1.00 0.00 H new ATOM 715 N PHE A 44 -3.398 -5.826 8.845 1.00 0.00 N ATOM 716 CA PHE A 44 -4.194 -4.707 8.368 1.00 0.00 C ATOM 717 C PHE A 44 -3.506 -3.380 8.707 1.00 0.00 C ATOM 718 O PHE A 44 -3.410 -2.512 7.838 1.00 0.00 O ATOM 719 CB PHE A 44 -5.602 -4.808 8.973 1.00 0.00 C ATOM 720 CG PHE A 44 -6.565 -3.725 8.526 1.00 0.00 C ATOM 721 CD1 PHE A 44 -6.962 -3.636 7.178 1.00 0.00 C ATOM 722 CD2 PHE A 44 -7.025 -2.768 9.450 1.00 0.00 C ATOM 723 CE1 PHE A 44 -7.756 -2.557 6.748 1.00 0.00 C ATOM 724 CE2 PHE A 44 -7.835 -1.702 9.023 1.00 0.00 C ATOM 725 CZ PHE A 44 -8.180 -1.582 7.667 1.00 0.00 C ATOM 0 H PHE A 44 -3.902 -6.428 9.497 1.00 0.00 H new ATOM 0 HA PHE A 44 -4.286 -4.742 7.282 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -6.024 -5.779 8.715 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -5.519 -4.775 10.059 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -6.657 -4.396 6.474 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -6.754 -2.853 10.492 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -8.040 -2.478 5.709 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -8.192 -0.975 9.738 1.00 0.00 H new ATOM 0 HZ PHE A 44 -8.770 -0.742 7.331 1.00 0.00 H new ATOM 735 N LYS A 45 -3.004 -3.218 9.937 1.00 0.00 N ATOM 736 CA LYS A 45 -2.238 -2.031 10.336 1.00 0.00 C ATOM 737 C LYS A 45 -0.953 -1.867 9.518 1.00 0.00 C ATOM 738 O LYS A 45 -0.607 -0.741 9.159 1.00 0.00 O ATOM 739 CB LYS A 45 -1.886 -2.042 11.836 1.00 0.00 C ATOM 740 CG LYS A 45 -3.113 -1.944 12.760 1.00 0.00 C ATOM 741 CD LYS A 45 -3.121 -0.674 13.625 1.00 0.00 C ATOM 742 CE LYS A 45 -1.983 -0.732 14.650 1.00 0.00 C ATOM 743 NZ LYS A 45 -1.882 0.485 15.477 1.00 0.00 N ATOM 0 H LYS A 45 -3.117 -3.905 10.683 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.891 -1.182 10.135 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -1.341 -2.958 12.066 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -1.215 -1.210 12.049 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.019 -1.968 12.154 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -3.141 -2.818 13.410 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -3.008 0.207 12.993 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -4.078 -0.579 14.137 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -2.132 -1.594 15.300 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -1.039 -0.887 14.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -1.095 0.384 16.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -1.710 1.308 14.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.769 0.623 16.001 1.00 0.00 H new ATOM 757 N GLU A 46 -0.265 -2.959 9.196 1.00 0.00 N ATOM 758 CA GLU A 46 1.039 -2.972 8.556 1.00 0.00 C ATOM 759 C GLU A 46 0.885 -2.574 7.087 1.00 0.00 C ATOM 760 O GLU A 46 1.600 -1.703 6.593 1.00 0.00 O ATOM 761 CB GLU A 46 1.587 -4.405 8.707 1.00 0.00 C ATOM 762 CG GLU A 46 3.090 -4.477 8.948 1.00 0.00 C ATOM 763 CD GLU A 46 3.914 -4.647 7.677 1.00 0.00 C ATOM 764 OE1 GLU A 46 3.871 -5.744 7.064 1.00 0.00 O ATOM 765 OE2 GLU A 46 4.685 -3.721 7.339 1.00 0.00 O ATOM 0 H GLU A 46 -0.620 -3.897 9.384 1.00 0.00 H new ATOM 0 HA GLU A 46 1.730 -2.262 9.010 1.00 0.00 H new ATOM 0 HB2 GLU A 46 1.074 -4.893 9.536 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.347 -4.970 7.806 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.410 -3.568 9.457 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.301 -5.309 9.619 1.00 0.00 H new ATOM 772 N ILE A 47 -0.117 -3.155 6.420 1.00 0.00 N ATOM 773 CA ILE A 47 -0.590 -2.754 5.104 1.00 0.00 C ATOM 774 C ILE A 47 -0.985 -1.283 5.144 1.00 0.00 C ATOM 775 O ILE A 47 -0.597 -0.563 4.231 1.00 0.00 O ATOM 776 CB ILE A 47 -1.760 -3.659 4.671 1.00 0.00 C ATOM 777 CG1 ILE A 47 -1.237 -5.080 4.409 1.00 0.00 C ATOM 778 CG2 ILE A 47 -2.463 -3.151 3.398 1.00 0.00 C ATOM 779 CD1 ILE A 47 -2.381 -6.075 4.277 1.00 0.00 C ATOM 0 H ILE A 47 -0.636 -3.946 6.801 1.00 0.00 H new ATOM 0 HA ILE A 47 0.201 -2.871 4.363 1.00 0.00 H new ATOM 0 HB ILE A 47 -2.488 -3.650 5.482 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.639 -5.087 3.498 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.580 -5.384 5.224 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -3.279 -3.826 3.139 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -2.861 -2.152 3.576 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -1.747 -3.115 2.577 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.978 -7.071 4.092 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -2.963 -6.085 5.199 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -3.023 -5.783 3.446 1.00 0.00 H new ATOM 791 N ALA A 48 -1.746 -0.830 6.150 1.00 0.00 N ATOM 792 CA ALA A 48 -2.393 0.479 6.137 1.00 0.00 C ATOM 793 C ALA A 48 -1.379 1.620 6.029 1.00 0.00 C ATOM 794 O ALA A 48 -1.682 2.666 5.458 1.00 0.00 O ATOM 795 CB ALA A 48 -3.282 0.660 7.364 1.00 0.00 C ATOM 0 H ALA A 48 -1.928 -1.368 6.997 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.020 0.518 5.247 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -3.752 1.643 7.331 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -4.052 -0.111 7.372 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -2.677 0.578 8.267 1.00 0.00 H new ATOM 801 N GLU A 49 -0.160 1.407 6.521 1.00 0.00 N ATOM 802 CA GLU A 49 0.918 2.386 6.420 1.00 0.00 C ATOM 803 C GLU A 49 1.301 2.624 4.951 1.00 0.00 C ATOM 804 O GLU A 49 1.490 3.766 4.520 1.00 0.00 O ATOM 805 CB GLU A 49 2.122 1.875 7.230 1.00 0.00 C ATOM 806 CG GLU A 49 3.124 2.983 7.571 1.00 0.00 C ATOM 807 CD GLU A 49 2.635 3.832 8.747 1.00 0.00 C ATOM 808 OE1 GLU A 49 1.923 4.834 8.507 1.00 0.00 O ATOM 809 OE2 GLU A 49 2.996 3.513 9.903 1.00 0.00 O ATOM 0 H GLU A 49 0.108 0.548 7.002 1.00 0.00 H new ATOM 0 HA GLU A 49 0.587 3.342 6.826 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.765 1.418 8.153 1.00 0.00 H new ATOM 0 HB3 GLU A 49 2.630 1.094 6.664 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.090 2.540 7.816 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.277 3.619 6.699 1.00 0.00 H new ATOM 816 N ALA A 50 1.387 1.539 4.176 1.00 0.00 N ATOM 817 CA ALA A 50 1.614 1.569 2.740 1.00 0.00 C ATOM 818 C ALA A 50 0.344 1.977 1.984 1.00 0.00 C ATOM 819 O ALA A 50 0.422 2.682 0.984 1.00 0.00 O ATOM 820 CB ALA A 50 2.099 0.192 2.279 1.00 0.00 C ATOM 0 H ALA A 50 1.297 0.593 4.546 1.00 0.00 H new ATOM 0 HA ALA A 50 2.377 2.316 2.519 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.271 0.208 1.203 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.028 -0.057 2.791 1.00 0.00 H new ATOM 0 HB3 ALA A 50 1.343 -0.557 2.514 1.00 0.00 H new ATOM 826 N TYR A 51 -0.822 1.544 2.461 1.00 0.00 N ATOM 827 CA TYR A 51 -2.139 1.793 1.885 1.00 0.00 C ATOM 828 C TYR A 51 -2.391 3.293 1.798 1.00 0.00 C ATOM 829 O TYR A 51 -2.874 3.776 0.774 1.00 0.00 O ATOM 830 CB TYR A 51 -3.177 1.125 2.789 1.00 0.00 C ATOM 831 CG TYR A 51 -4.518 0.733 2.213 1.00 0.00 C ATOM 832 CD1 TYR A 51 -5.593 1.640 2.217 1.00 0.00 C ATOM 833 CD2 TYR A 51 -4.743 -0.611 1.870 1.00 0.00 C ATOM 834 CE1 TYR A 51 -6.885 1.196 1.880 1.00 0.00 C ATOM 835 CE2 TYR A 51 -6.030 -1.057 1.557 1.00 0.00 C ATOM 836 CZ TYR A 51 -7.111 -0.157 1.546 1.00 0.00 C ATOM 837 OH TYR A 51 -8.363 -0.593 1.231 1.00 0.00 O ATOM 0 H TYR A 51 -0.874 0.978 3.308 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.203 1.383 0.877 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -2.722 0.224 3.200 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -3.364 1.798 3.626 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -5.427 2.675 2.478 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -3.915 -1.304 1.848 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -7.709 1.894 1.877 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -6.195 -2.098 1.322 1.00 0.00 H new ATOM 0 HH TYR A 51 -8.334 -1.551 1.027 1.00 0.00 H new ATOM 847 N ASP A 52 -2.037 4.022 2.860 1.00 0.00 N ATOM 848 CA ASP A 52 -2.081 5.475 2.926 1.00 0.00 C ATOM 849 C ASP A 52 -1.327 6.083 1.750 1.00 0.00 C ATOM 850 O ASP A 52 -1.912 6.819 0.962 1.00 0.00 O ATOM 851 CB ASP A 52 -1.471 5.928 4.253 1.00 0.00 C ATOM 852 CG ASP A 52 -1.307 7.444 4.335 1.00 0.00 C ATOM 853 OD1 ASP A 52 -2.209 8.190 3.893 1.00 0.00 O ATOM 854 OD2 ASP A 52 -0.288 7.872 4.930 1.00 0.00 O ATOM 0 H ASP A 52 -1.701 3.597 3.724 1.00 0.00 H new ATOM 0 HA ASP A 52 -3.115 5.814 2.869 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.103 5.589 5.074 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -0.498 5.453 4.383 1.00 0.00 H new ATOM 859 N VAL A 53 -0.064 5.694 1.570 1.00 0.00 N ATOM 860 CA VAL A 53 0.781 6.240 0.514 1.00 0.00 C ATOM 861 C VAL A 53 0.186 5.892 -0.835 1.00 0.00 C ATOM 862 O VAL A 53 0.059 6.753 -1.699 1.00 0.00 O ATOM 863 CB VAL A 53 2.206 5.654 0.593 1.00 0.00 C ATOM 864 CG1 VAL A 53 3.076 6.042 -0.610 1.00 0.00 C ATOM 865 CG2 VAL A 53 2.897 6.099 1.865 1.00 0.00 C ATOM 0 H VAL A 53 0.398 4.994 2.151 1.00 0.00 H new ATOM 0 HA VAL A 53 0.834 7.321 0.641 1.00 0.00 H new ATOM 0 HB VAL A 53 2.089 4.570 0.587 1.00 0.00 H new ATOM 0 HG11 VAL A 53 4.067 5.601 -0.500 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.615 5.673 -1.526 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.165 7.127 -0.660 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.900 5.675 1.901 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.962 7.187 1.882 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.327 5.756 2.728 1.00 0.00 H new ATOM 875 N LEU A 54 -0.094 4.607 -1.054 1.00 0.00 N ATOM 876 CA LEU A 54 -0.369 4.147 -2.386 1.00 0.00 C ATOM 877 C LEU A 54 -1.730 4.649 -2.852 1.00 0.00 C ATOM 878 O LEU A 54 -1.876 4.919 -4.042 1.00 0.00 O ATOM 879 CB LEU A 54 -0.182 2.632 -2.482 1.00 0.00 C ATOM 880 CG LEU A 54 1.269 2.248 -2.845 1.00 0.00 C ATOM 881 CD1 LEU A 54 2.193 2.230 -1.628 1.00 0.00 C ATOM 882 CD2 LEU A 54 1.370 0.889 -3.532 1.00 0.00 C ATOM 0 H LEU A 54 -0.133 3.889 -0.331 1.00 0.00 H new ATOM 0 HA LEU A 54 0.353 4.572 -3.083 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.451 2.173 -1.531 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.862 2.230 -3.233 1.00 0.00 H new ATOM 0 HG LEU A 54 1.589 3.027 -3.537 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.200 1.954 -1.940 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.213 3.220 -1.172 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.826 1.503 -0.903 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.414 0.674 -3.762 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.978 0.117 -2.870 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.790 0.904 -4.455 1.00 0.00 H new ATOM 894 N SER A 55 -2.688 4.864 -1.949 1.00 0.00 N ATOM 895 CA SER A 55 -3.955 5.476 -2.309 1.00 0.00 C ATOM 896 C SER A 55 -3.847 7.000 -2.441 1.00 0.00 C ATOM 897 O SER A 55 -4.578 7.571 -3.256 1.00 0.00 O ATOM 898 CB SER A 55 -5.046 5.058 -1.313 1.00 0.00 C ATOM 899 OG SER A 55 -4.773 5.479 0.012 1.00 0.00 O ATOM 0 H SER A 55 -2.604 4.620 -0.962 1.00 0.00 H new ATOM 0 HA SER A 55 -4.238 5.110 -3.296 1.00 0.00 H new ATOM 0 HB2 SER A 55 -6.001 5.475 -1.632 1.00 0.00 H new ATOM 0 HB3 SER A 55 -5.150 3.973 -1.330 1.00 0.00 H new ATOM 0 HG SER A 55 -4.134 4.862 0.426 1.00 0.00 H new ATOM 905 N ASP A 56 -2.999 7.678 -1.657 1.00 0.00 N ATOM 906 CA ASP A 56 -3.020 9.139 -1.577 1.00 0.00 C ATOM 907 C ASP A 56 -2.139 9.707 -2.698 1.00 0.00 C ATOM 908 O ASP A 56 -0.936 9.412 -2.724 1.00 0.00 O ATOM 909 CB ASP A 56 -2.501 9.651 -0.230 1.00 0.00 C ATOM 910 CG ASP A 56 -2.479 11.174 -0.245 1.00 0.00 C ATOM 911 OD1 ASP A 56 -3.531 11.760 0.096 1.00 0.00 O ATOM 912 OD2 ASP A 56 -1.467 11.804 -0.613 1.00 0.00 O ATOM 0 H ASP A 56 -2.291 7.236 -1.070 1.00 0.00 H new ATOM 0 HA ASP A 56 -4.054 9.467 -1.682 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -3.139 9.293 0.578 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -1.500 9.263 -0.042 1.00 0.00 H new ATOM 917 N PRO A 57 -2.681 10.484 -3.650 1.00 0.00 N ATOM 918 CA PRO A 57 -1.920 10.874 -4.831 1.00 0.00 C ATOM 919 C PRO A 57 -0.752 11.802 -4.520 1.00 0.00 C ATOM 920 O PRO A 57 0.205 11.864 -5.291 1.00 0.00 O ATOM 921 CB PRO A 57 -2.926 11.540 -5.777 1.00 0.00 C ATOM 922 CG PRO A 57 -4.040 12.020 -4.848 1.00 0.00 C ATOM 923 CD PRO A 57 -4.049 10.978 -3.731 1.00 0.00 C ATOM 0 HA PRO A 57 -1.455 9.997 -5.280 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -2.474 12.369 -6.321 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -3.301 10.837 -6.521 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -3.838 13.019 -4.463 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -5.000 12.065 -5.363 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -4.364 11.419 -2.785 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -4.746 10.170 -3.954 1.00 0.00 H new ATOM 931 N ARG A 58 -0.814 12.553 -3.423 1.00 0.00 N ATOM 932 CA ARG A 58 0.179 13.575 -3.139 1.00 0.00 C ATOM 933 C ARG A 58 1.368 12.966 -2.407 1.00 0.00 C ATOM 934 O ARG A 58 2.508 13.331 -2.683 1.00 0.00 O ATOM 935 CB ARG A 58 -0.491 14.708 -2.363 1.00 0.00 C ATOM 936 CG ARG A 58 -1.548 15.416 -3.221 1.00 0.00 C ATOM 937 CD ARG A 58 -2.200 16.591 -2.489 1.00 0.00 C ATOM 938 NE ARG A 58 -1.269 17.588 -1.914 1.00 0.00 N ATOM 939 CZ ARG A 58 -0.220 18.224 -2.461 1.00 0.00 C ATOM 940 NH1 ARG A 58 0.197 17.992 -3.700 1.00 0.00 N ATOM 941 NH2 ARG A 58 0.422 19.144 -1.757 1.00 0.00 N ATOM 0 H ARG A 58 -1.545 12.469 -2.717 1.00 0.00 H new ATOM 0 HA ARG A 58 0.577 13.996 -4.062 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -0.957 14.310 -1.462 1.00 0.00 H new ATOM 0 HB3 ARG A 58 0.262 15.427 -2.041 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -1.085 15.775 -4.140 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -2.317 14.700 -3.510 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -2.867 17.102 -3.183 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -2.820 16.195 -1.685 1.00 0.00 H new ATOM 0 HE ARG A 58 -1.455 17.832 -0.941 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -0.285 17.305 -4.280 1.00 0.00 H new ATOM 0 HH12 ARG A 58 0.999 18.501 -4.072 1.00 0.00 H new ATOM 0 HH21 ARG A 58 0.119 19.364 -0.808 1.00 0.00 H new ATOM 0 HH22 ARG A 58 1.220 19.633 -2.164 1.00 0.00 H new ATOM 955 N LYS A 59 1.147 11.951 -1.570 1.00 0.00 N ATOM 956 CA LYS A 59 2.214 11.341 -0.788 1.00 0.00 C ATOM 957 C LYS A 59 3.058 10.523 -1.752 1.00 0.00 C ATOM 958 O LYS A 59 4.290 10.589 -1.698 1.00 0.00 O ATOM 959 CB LYS A 59 1.607 10.470 0.328 1.00 0.00 C ATOM 960 CG LYS A 59 2.444 10.363 1.614 1.00 0.00 C ATOM 961 CD LYS A 59 3.833 9.718 1.472 1.00 0.00 C ATOM 962 CE LYS A 59 4.981 10.700 1.720 1.00 0.00 C ATOM 963 NZ LYS A 59 5.127 11.035 3.154 1.00 0.00 N ATOM 0 H LYS A 59 0.229 11.534 -1.418 1.00 0.00 H new ATOM 0 HA LYS A 59 2.838 12.089 -0.300 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.627 10.871 0.586 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.447 9.466 -0.065 1.00 0.00 H new ATOM 0 HG2 LYS A 59 2.573 11.365 2.023 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.874 9.791 2.346 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.915 8.888 2.174 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.931 9.299 0.471 1.00 0.00 H new ATOM 0 HE2 LYS A 59 5.912 10.269 1.352 1.00 0.00 H new ATOM 0 HE3 LYS A 59 4.806 11.613 1.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 5.915 11.702 3.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 4.248 11.470 3.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 5.320 10.168 3.695 1.00 0.00 H new ATOM 977 N ARG A 60 2.421 9.758 -2.649 1.00 0.00 N ATOM 978 CA ARG A 60 3.149 8.943 -3.593 1.00 0.00 C ATOM 979 C ARG A 60 3.945 9.731 -4.617 1.00 0.00 C ATOM 980 O ARG A 60 4.836 9.135 -5.200 1.00 0.00 O ATOM 981 CB ARG A 60 2.197 7.976 -4.303 1.00 0.00 C ATOM 982 CG ARG A 60 2.936 6.648 -4.423 1.00 0.00 C ATOM 983 CD ARG A 60 2.074 5.535 -4.994 1.00 0.00 C ATOM 984 NE ARG A 60 2.073 5.567 -6.471 1.00 0.00 N ATOM 985 CZ ARG A 60 1.057 5.886 -7.283 1.00 0.00 C ATOM 986 NH1 ARG A 60 -0.182 6.001 -6.828 1.00 0.00 N ATOM 987 NH2 ARG A 60 1.280 6.097 -8.572 1.00 0.00 N ATOM 0 H ARG A 60 1.406 9.696 -2.730 1.00 0.00 H new ATOM 0 HA ARG A 60 3.881 8.392 -3.003 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.273 7.856 -3.737 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.921 8.356 -5.287 1.00 0.00 H new ATOM 0 HG2 ARG A 60 3.812 6.783 -5.058 1.00 0.00 H new ATOM 0 HG3 ARG A 60 3.298 6.350 -3.439 1.00 0.00 H new ATOM 0 HD2 ARG A 60 2.445 4.570 -4.648 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.053 5.635 -4.624 1.00 0.00 H new ATOM 0 HE ARG A 60 2.951 5.316 -6.926 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -0.379 5.846 -5.839 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -0.939 6.245 -7.466 1.00 0.00 H new ATOM 0 HH21 ARG A 60 2.226 6.016 -8.946 1.00 0.00 H new ATOM 0 HH22 ARG A 60 0.506 6.340 -9.190 1.00 0.00 H new ATOM 1001 N GLU A 61 3.706 11.024 -4.823 1.00 0.00 N ATOM 1002 CA GLU A 61 4.479 11.807 -5.784 1.00 0.00 C ATOM 1003 C GLU A 61 5.973 11.746 -5.432 1.00 0.00 C ATOM 1004 O GLU A 61 6.824 11.539 -6.295 1.00 0.00 O ATOM 1005 CB GLU A 61 3.937 13.245 -5.758 1.00 0.00 C ATOM 1006 CG GLU A 61 4.038 13.995 -7.087 1.00 0.00 C ATOM 1007 CD GLU A 61 5.418 14.478 -7.524 1.00 0.00 C ATOM 1008 OE1 GLU A 61 6.284 14.756 -6.662 1.00 0.00 O ATOM 1009 OE2 GLU A 61 5.579 14.706 -8.746 1.00 0.00 O ATOM 0 H GLU A 61 2.982 11.552 -4.336 1.00 0.00 H new ATOM 0 HA GLU A 61 4.378 11.406 -6.792 1.00 0.00 H new ATOM 0 HB2 GLU A 61 2.891 13.218 -5.451 1.00 0.00 H new ATOM 0 HB3 GLU A 61 4.478 13.808 -4.998 1.00 0.00 H new ATOM 0 HG2 GLU A 61 3.646 13.345 -7.870 1.00 0.00 H new ATOM 0 HG3 GLU A 61 3.380 14.862 -7.034 1.00 0.00 H new ATOM 1016 N ILE A 62 6.283 11.775 -4.136 1.00 0.00 N ATOM 1017 CA ILE A 62 7.644 11.754 -3.620 1.00 0.00 C ATOM 1018 C ILE A 62 8.218 10.344 -3.798 1.00 0.00 C ATOM 1019 O ILE A 62 9.381 10.174 -4.160 1.00 0.00 O ATOM 1020 CB ILE A 62 7.597 12.123 -2.116 1.00 0.00 C ATOM 1021 CG1 ILE A 62 6.943 13.504 -1.873 1.00 0.00 C ATOM 1022 CG2 ILE A 62 8.989 12.071 -1.460 1.00 0.00 C ATOM 1023 CD1 ILE A 62 6.681 13.768 -0.386 1.00 0.00 C ATOM 0 H ILE A 62 5.576 11.815 -3.402 1.00 0.00 H new ATOM 0 HA ILE A 62 8.274 12.466 -4.153 1.00 0.00 H new ATOM 0 HB ILE A 62 6.972 11.365 -1.643 1.00 0.00 H new ATOM 0 HG12 ILE A 62 7.591 14.286 -2.270 1.00 0.00 H new ATOM 0 HG13 ILE A 62 6.003 13.560 -2.421 1.00 0.00 H new ATOM 0 HG21 ILE A 62 8.905 12.337 -0.406 1.00 0.00 H new ATOM 0 HG22 ILE A 62 9.395 11.063 -1.548 1.00 0.00 H new ATOM 0 HG23 ILE A 62 9.654 12.775 -1.960 1.00 0.00 H new ATOM 0 HD11 ILE A 62 6.221 14.749 -0.266 1.00 0.00 H new ATOM 0 HD12 ILE A 62 6.011 13.003 0.007 1.00 0.00 H new ATOM 0 HD13 ILE A 62 7.624 13.740 0.160 1.00 0.00 H new ATOM 1035 N PHE A 63 7.406 9.321 -3.529 1.00 0.00 N ATOM 1036 CA PHE A 63 7.811 7.934 -3.678 1.00 0.00 C ATOM 1037 C PHE A 63 8.096 7.625 -5.147 1.00 0.00 C ATOM 1038 O PHE A 63 9.053 6.931 -5.469 1.00 0.00 O ATOM 1039 CB PHE A 63 6.686 7.048 -3.141 1.00 0.00 C ATOM 1040 CG PHE A 63 7.051 5.586 -3.066 1.00 0.00 C ATOM 1041 CD1 PHE A 63 6.977 4.766 -4.210 1.00 0.00 C ATOM 1042 CD2 PHE A 63 7.450 5.042 -1.834 1.00 0.00 C ATOM 1043 CE1 PHE A 63 7.264 3.396 -4.104 1.00 0.00 C ATOM 1044 CE2 PHE A 63 7.751 3.680 -1.738 1.00 0.00 C ATOM 1045 CZ PHE A 63 7.630 2.849 -2.863 1.00 0.00 C ATOM 0 H PHE A 63 6.447 9.438 -3.201 1.00 0.00 H new ATOM 0 HA PHE A 63 8.726 7.743 -3.117 1.00 0.00 H new ATOM 0 HB2 PHE A 63 6.405 7.395 -2.147 1.00 0.00 H new ATOM 0 HB3 PHE A 63 5.809 7.163 -3.778 1.00 0.00 H new ATOM 0 HD1 PHE A 63 6.701 5.190 -5.164 1.00 0.00 H new ATOM 0 HD2 PHE A 63 7.524 5.675 -0.962 1.00 0.00 H new ATOM 0 HE1 PHE A 63 7.203 2.763 -4.977 1.00 0.00 H new ATOM 0 HE2 PHE A 63 8.078 3.266 -0.795 1.00 0.00 H new ATOM 0 HZ PHE A 63 7.818 1.789 -2.774 1.00 0.00 H new ATOM 1055 N ASP A 64 7.252 8.123 -6.046 1.00 0.00 N ATOM 1056 CA ASP A 64 7.324 7.859 -7.470 1.00 0.00 C ATOM 1057 C ASP A 64 8.549 8.530 -8.073 1.00 0.00 C ATOM 1058 O ASP A 64 9.266 7.913 -8.867 1.00 0.00 O ATOM 1059 CB ASP A 64 6.063 8.379 -8.160 1.00 0.00 C ATOM 1060 CG ASP A 64 6.001 7.822 -9.577 1.00 0.00 C ATOM 1061 OD1 ASP A 64 5.834 6.589 -9.743 1.00 0.00 O ATOM 1062 OD2 ASP A 64 6.039 8.616 -10.540 1.00 0.00 O ATOM 0 H ASP A 64 6.479 8.738 -5.791 1.00 0.00 H new ATOM 0 HA ASP A 64 7.402 6.782 -7.620 1.00 0.00 H new ATOM 0 HB2 ASP A 64 5.177 8.079 -7.600 1.00 0.00 H new ATOM 0 HB3 ASP A 64 6.071 9.469 -8.185 1.00 0.00 H new ATOM 1067 N ARG A 65 8.793 9.794 -7.706 1.00 0.00 N ATOM 1068 CA ARG A 65 9.877 10.591 -8.252 1.00 0.00 C ATOM 1069 C ARG A 65 11.238 10.059 -7.834 1.00 0.00 C ATOM 1070 O ARG A 65 12.139 9.981 -8.669 1.00 0.00 O ATOM 1071 CB ARG A 65 9.653 12.071 -7.896 1.00 0.00 C ATOM 1072 CG ARG A 65 10.157 12.558 -6.535 1.00 0.00 C ATOM 1073 CD ARG A 65 9.687 13.982 -6.239 1.00 0.00 C ATOM 1074 NE ARG A 65 10.307 14.944 -7.165 1.00 0.00 N ATOM 1075 CZ ARG A 65 9.676 15.745 -8.030 1.00 0.00 C ATOM 1076 NH1 ARG A 65 8.358 15.834 -8.083 1.00 0.00 N ATOM 1077 NH2 ARG A 65 10.408 16.474 -8.852 1.00 0.00 N ATOM 0 H ARG A 65 8.232 10.290 -7.013 1.00 0.00 H new ATOM 0 HA ARG A 65 9.873 10.513 -9.339 1.00 0.00 H new ATOM 0 HB2 ARG A 65 10.129 12.677 -8.667 1.00 0.00 H new ATOM 0 HB3 ARG A 65 8.583 12.271 -7.949 1.00 0.00 H new ATOM 0 HG2 ARG A 65 9.802 11.887 -5.753 1.00 0.00 H new ATOM 0 HG3 ARG A 65 11.246 12.522 -6.515 1.00 0.00 H new ATOM 0 HD2 ARG A 65 8.602 14.036 -6.325 1.00 0.00 H new ATOM 0 HD3 ARG A 65 9.939 14.246 -5.212 1.00 0.00 H new ATOM 0 HE ARG A 65 11.325 15.006 -7.145 1.00 0.00 H new ATOM 0 HH11 ARG A 65 7.783 15.279 -7.449 1.00 0.00 H new ATOM 0 HH12 ARG A 65 7.916 16.458 -8.758 1.00 0.00 H new ATOM 0 HH21 ARG A 65 11.426 16.416 -8.816 1.00 0.00 H new ATOM 0 HH22 ARG A 65 9.956 17.095 -9.523 1.00 0.00 H new ATOM 1091 N TYR A 66 11.404 9.739 -6.553 1.00 0.00 N ATOM 1092 CA TYR A 66 12.695 9.362 -5.987 1.00 0.00 C ATOM 1093 C TYR A 66 12.899 7.848 -5.924 1.00 0.00 C ATOM 1094 O TYR A 66 14.045 7.403 -5.921 1.00 0.00 O ATOM 1095 CB TYR A 66 12.833 9.947 -4.578 1.00 0.00 C ATOM 1096 CG TYR A 66 12.885 11.463 -4.501 1.00 0.00 C ATOM 1097 CD1 TYR A 66 13.893 12.165 -5.189 1.00 0.00 C ATOM 1098 CD2 TYR A 66 11.958 12.173 -3.717 1.00 0.00 C ATOM 1099 CE1 TYR A 66 13.968 13.566 -5.105 1.00 0.00 C ATOM 1100 CE2 TYR A 66 12.029 13.574 -3.620 1.00 0.00 C ATOM 1101 CZ TYR A 66 13.035 14.276 -4.319 1.00 0.00 C ATOM 1102 OH TYR A 66 13.090 15.632 -4.229 1.00 0.00 O ATOM 0 H TYR A 66 10.642 9.734 -5.875 1.00 0.00 H new ATOM 0 HA TYR A 66 13.460 9.767 -6.650 1.00 0.00 H new ATOM 0 HB2 TYR A 66 11.994 9.599 -3.975 1.00 0.00 H new ATOM 0 HB3 TYR A 66 13.740 9.546 -4.124 1.00 0.00 H new ATOM 0 HD1 TYR A 66 14.613 11.624 -5.785 1.00 0.00 H new ATOM 0 HD2 TYR A 66 11.185 11.638 -3.185 1.00 0.00 H new ATOM 0 HE1 TYR A 66 14.739 14.099 -5.642 1.00 0.00 H new ATOM 0 HE2 TYR A 66 11.316 14.112 -3.013 1.00 0.00 H new ATOM 0 HH TYR A 66 12.370 15.951 -3.646 1.00 0.00 H new ATOM 1112 N GLY A 67 11.841 7.041 -5.879 1.00 0.00 N ATOM 1113 CA GLY A 67 11.936 5.666 -5.411 1.00 0.00 C ATOM 1114 C GLY A 67 11.891 5.637 -3.881 1.00 0.00 C ATOM 1115 O GLY A 67 11.583 6.646 -3.237 1.00 0.00 O ATOM 0 H GLY A 67 10.903 7.322 -6.164 1.00 0.00 H new ATOM 0 HA2 GLY A 67 11.116 5.075 -5.820 1.00 0.00 H new ATOM 0 HA3 GLY A 67 12.862 5.214 -5.766 1.00 0.00 H new ATOM 1119 N GLU A 68 12.200 4.477 -3.291 1.00 0.00 N ATOM 1120 CA GLU A 68 12.046 4.211 -1.857 1.00 0.00 C ATOM 1121 C GLU A 68 12.806 5.238 -1.013 1.00 0.00 C ATOM 1122 O GLU A 68 12.383 5.576 0.092 1.00 0.00 O ATOM 1123 CB GLU A 68 12.554 2.791 -1.515 1.00 0.00 C ATOM 1124 CG GLU A 68 11.579 1.984 -0.639 1.00 0.00 C ATOM 1125 CD GLU A 68 10.334 1.486 -1.389 1.00 0.00 C ATOM 1126 OE1 GLU A 68 10.365 1.425 -2.643 1.00 0.00 O ATOM 1127 OE2 GLU A 68 9.335 1.150 -0.713 1.00 0.00 O ATOM 0 H GLU A 68 12.572 3.680 -3.808 1.00 0.00 H new ATOM 0 HA GLU A 68 10.984 4.287 -1.622 1.00 0.00 H new ATOM 0 HB2 GLU A 68 12.734 2.245 -2.441 1.00 0.00 H new ATOM 0 HB3 GLU A 68 13.512 2.871 -1.000 1.00 0.00 H new ATOM 0 HG2 GLU A 68 12.106 1.127 -0.221 1.00 0.00 H new ATOM 0 HG3 GLU A 68 11.262 2.603 0.200 1.00 0.00 H new ATOM 1134 N GLU A 69 13.925 5.744 -1.543 1.00 0.00 N ATOM 1135 CA GLU A 69 14.804 6.677 -0.858 1.00 0.00 C ATOM 1136 C GLU A 69 14.105 7.996 -0.512 1.00 0.00 C ATOM 1137 O GLU A 69 14.474 8.633 0.477 1.00 0.00 O ATOM 1138 CB GLU A 69 16.074 6.906 -1.698 1.00 0.00 C ATOM 1139 CG GLU A 69 15.863 7.723 -2.981 1.00 0.00 C ATOM 1140 CD GLU A 69 17.169 7.988 -3.736 1.00 0.00 C ATOM 1141 OE1 GLU A 69 18.136 7.202 -3.592 1.00 0.00 O ATOM 1142 OE2 GLU A 69 17.223 8.980 -4.497 1.00 0.00 O ATOM 0 H GLU A 69 14.245 5.506 -2.482 1.00 0.00 H new ATOM 0 HA GLU A 69 15.089 6.234 0.096 1.00 0.00 H new ATOM 0 HB2 GLU A 69 16.814 7.413 -1.079 1.00 0.00 H new ATOM 0 HB3 GLU A 69 16.494 5.937 -1.967 1.00 0.00 H new ATOM 0 HG2 GLU A 69 15.172 7.192 -3.635 1.00 0.00 H new ATOM 0 HG3 GLU A 69 15.395 8.674 -2.728 1.00 0.00 H new ATOM 1149 N GLY A 70 13.089 8.394 -1.282 1.00 0.00 N ATOM 1150 CA GLY A 70 12.345 9.615 -1.021 1.00 0.00 C ATOM 1151 C GLY A 70 11.393 9.454 0.155 1.00 0.00 C ATOM 1152 O GLY A 70 10.969 10.453 0.740 1.00 0.00 O ATOM 0 H GLY A 70 12.765 7.877 -2.099 1.00 0.00 H new ATOM 0 HA2 GLY A 70 13.041 10.429 -0.817 1.00 0.00 H new ATOM 0 HA3 GLY A 70 11.780 9.894 -1.911 1.00 0.00 H new ATOM 1156 N LEU A 71 11.047 8.219 0.531 1.00 0.00 N ATOM 1157 CA LEU A 71 10.162 7.940 1.651 1.00 0.00 C ATOM 1158 C LEU A 71 11.007 7.875 2.931 1.00 0.00 C ATOM 1159 O LEU A 71 11.009 6.886 3.670 1.00 0.00 O ATOM 1160 CB LEU A 71 9.336 6.670 1.361 1.00 0.00 C ATOM 1161 CG LEU A 71 7.922 6.655 1.978 1.00 0.00 C ATOM 1162 CD1 LEU A 71 7.899 6.891 3.490 1.00 0.00 C ATOM 1163 CD2 LEU A 71 6.994 7.686 1.318 1.00 0.00 C ATOM 0 H LEU A 71 11.381 7.380 0.057 1.00 0.00 H new ATOM 0 HA LEU A 71 9.428 8.733 1.797 1.00 0.00 H new ATOM 0 HB2 LEU A 71 9.246 6.553 0.281 1.00 0.00 H new ATOM 0 HB3 LEU A 71 9.886 5.805 1.731 1.00 0.00 H new ATOM 0 HG LEU A 71 7.562 5.644 1.786 1.00 0.00 H new ATOM 0 HD11 LEU A 71 6.869 6.866 3.847 1.00 0.00 H new ATOM 0 HD12 LEU A 71 8.475 6.112 3.989 1.00 0.00 H new ATOM 0 HD13 LEU A 71 8.336 7.864 3.713 1.00 0.00 H new ATOM 0 HD21 LEU A 71 6.010 7.640 1.784 1.00 0.00 H new ATOM 0 HD22 LEU A 71 7.410 8.685 1.447 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.903 7.465 0.254 1.00 0.00 H new ATOM 1175 N LYS A 72 11.727 8.962 3.225 1.00 0.00 N ATOM 1176 CA LYS A 72 12.359 9.163 4.521 1.00 0.00 C ATOM 1177 C LYS A 72 11.223 9.506 5.477 1.00 0.00 C ATOM 1178 O LYS A 72 10.892 10.675 5.667 1.00 0.00 O ATOM 1179 CB LYS A 72 13.461 10.248 4.447 1.00 0.00 C ATOM 1180 CG LYS A 72 14.810 9.763 4.995 1.00 0.00 C ATOM 1181 CD LYS A 72 15.460 8.731 4.064 1.00 0.00 C ATOM 1182 CE LYS A 72 16.937 8.493 4.406 1.00 0.00 C ATOM 1183 NZ LYS A 72 17.136 7.842 5.713 1.00 0.00 N ATOM 0 H LYS A 72 11.885 9.725 2.567 1.00 0.00 H new ATOM 0 HA LYS A 72 12.886 8.275 4.871 1.00 0.00 H new ATOM 0 HB2 LYS A 72 13.587 10.562 3.411 1.00 0.00 H new ATOM 0 HB3 LYS A 72 13.140 11.125 5.009 1.00 0.00 H new ATOM 0 HG2 LYS A 72 15.480 10.614 5.120 1.00 0.00 H new ATOM 0 HG3 LYS A 72 14.666 9.323 5.982 1.00 0.00 H new ATOM 0 HD2 LYS A 72 14.916 7.789 4.132 1.00 0.00 H new ATOM 0 HD3 LYS A 72 15.378 9.072 3.032 1.00 0.00 H new ATOM 0 HE2 LYS A 72 17.388 7.876 3.629 1.00 0.00 H new ATOM 0 HE3 LYS A 72 17.462 9.448 4.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 18.153 7.710 5.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 16.734 8.439 6.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 16.662 6.917 5.716 1.00 0.00 H new ATOM 1197 N GLY A 73 10.573 8.471 6.005 1.00 0.00 N ATOM 1198 CA GLY A 73 9.506 8.588 6.982 1.00 0.00 C ATOM 1199 C GLY A 73 10.018 9.397 8.162 1.00 0.00 C ATOM 1200 O GLY A 73 9.649 10.553 8.343 1.00 0.00 O ATOM 0 H GLY A 73 10.784 7.505 5.755 1.00 0.00 H new ATOM 0 HA2 GLY A 73 8.638 9.074 6.538 1.00 0.00 H new ATOM 0 HA3 GLY A 73 9.184 7.600 7.311 1.00 0.00 H new ATOM 1204 N SER A 74 10.934 8.818 8.933 1.00 0.00 N ATOM 1205 CA SER A 74 11.843 9.503 9.844 1.00 0.00 C ATOM 1206 C SER A 74 13.024 8.549 10.069 1.00 0.00 C ATOM 1207 O SER A 74 12.852 7.334 9.955 1.00 0.00 O ATOM 1208 CB SER A 74 11.103 9.850 11.146 1.00 0.00 C ATOM 1209 OG SER A 74 10.131 10.855 10.896 1.00 0.00 O ATOM 0 H SER A 74 11.068 7.807 8.939 1.00 0.00 H new ATOM 0 HA SER A 74 12.209 10.448 9.442 1.00 0.00 H new ATOM 0 HB2 SER A 74 10.622 8.959 11.550 1.00 0.00 H new ATOM 0 HB3 SER A 74 11.813 10.197 11.897 1.00 0.00 H new ATOM 0 HG SER A 74 10.150 11.100 9.947 1.00 0.00 H new ATOM 1215 N GLY A 75 14.210 9.074 10.366 1.00 0.00 N ATOM 1216 CA GLY A 75 15.450 8.350 10.616 1.00 0.00 C ATOM 1217 C GLY A 75 16.551 9.367 10.890 1.00 0.00 C ATOM 1218 O GLY A 75 16.552 10.423 10.253 1.00 0.00 O ATOM 0 H GLY A 75 14.337 10.083 10.443 1.00 0.00 H new ATOM 0 HA2 GLY A 75 15.333 7.679 11.467 1.00 0.00 H new ATOM 0 HA3 GLY A 75 15.709 7.732 9.756 1.00 0.00 H new ATOM 1222 N CYS A 76 17.498 9.052 11.781 1.00 0.00 N ATOM 1223 CA CYS A 76 18.348 10.027 12.472 1.00 0.00 C ATOM 1224 C CYS A 76 17.500 11.066 13.208 1.00 0.00 C ATOM 1225 O CYS A 76 16.287 10.867 13.412 1.00 0.00 O ATOM 1226 CB CYS A 76 19.381 10.680 11.526 1.00 0.00 C ATOM 1227 SG CYS A 76 20.883 9.682 11.390 1.00 0.00 S ATOM 0 H CYS A 76 17.699 8.088 12.048 1.00 0.00 H new ATOM 0 HA CYS A 76 18.926 9.484 13.220 1.00 0.00 H new ATOM 0 HB2 CYS A 76 18.939 10.810 10.538 1.00 0.00 H new ATOM 0 HB3 CYS A 76 19.636 11.674 11.895 1.00 0.00 H new ATOM 0 HG CYS A 76 21.721 10.266 10.585 1.00 0.00 H new TER 1233 CYS A 76