USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 532 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 13 TYR OH : rot 148:sc= -0.66 USER MOD Set 1.2: A 34 THR OG1 : rot 59:sc= 1.84 USER MOD Single : A 2 SER OG : rot 156:sc= -2.16! USER MOD Single : A 7 LYS NZ :NH3+ -150:sc= -0.116 (180deg=-1.47!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -2.25! X(o=-2.2!,f=-1.8) USER MOD Single : A 22 GLN : amide:sc= -0.903 K(o=-0.9,f=-0.014) USER MOD Single : A 24 SER OG : rot 180:sc= -0.615 USER MOD Single : A 25 LYS NZ :NH3+ -109:sc= -0.409 (180deg=-3.48!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.39 X(o=-0.39,f=-0.0011) USER MOD Single : A 38 SER OG : rot -8:sc= -1.31! USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -3.57! K(o=-3.6!,f=-1) USER MOD Single : A 62 SER OG : rot 180:sc= 0.0573 USER MOD Single : A 67 GLN : amide:sc= -0.273 X(o=-0.27,f=-0.18) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 159:sc= -0.24 (180deg=-1.31) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=-0.0046) USER MOD ----------------------------------------------------------------- ATOM 40 N SER A 2 11.486 6.954 6.098 1.00 0.00 N ATOM 41 CA SER A 2 12.026 7.442 7.393 1.00 0.00 C ATOM 42 C SER A 2 13.224 6.557 7.775 1.00 0.00 C ATOM 43 O SER A 2 13.625 5.721 6.991 1.00 0.00 O ATOM 44 CB SER A 2 10.908 7.365 8.444 1.00 0.00 C ATOM 45 OG SER A 2 11.090 6.204 9.244 1.00 0.00 O ATOM 0 HA SER A 2 12.364 8.476 7.327 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.921 8.257 9.070 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.935 7.333 7.954 1.00 0.00 H new ATOM 0 HG SER A 2 10.655 6.334 10.113 1.00 0.00 H new ATOM 51 N PRO A 3 13.785 6.760 8.944 1.00 0.00 N ATOM 52 CA PRO A 3 14.950 5.972 9.378 1.00 0.00 C ATOM 53 C PRO A 3 14.732 4.476 9.114 1.00 0.00 C ATOM 54 O PRO A 3 15.677 3.727 8.980 1.00 0.00 O ATOM 55 CB PRO A 3 15.090 6.280 10.873 1.00 0.00 C ATOM 56 CG PRO A 3 14.194 7.510 11.171 1.00 0.00 C ATOM 57 CD PRO A 3 13.320 7.760 9.929 1.00 0.00 C ATOM 0 HA PRO A 3 15.857 6.229 8.831 1.00 0.00 H new ATOM 0 HB2 PRO A 3 14.781 5.424 11.473 1.00 0.00 H new ATOM 0 HB3 PRO A 3 16.129 6.490 11.127 1.00 0.00 H new ATOM 0 HG2 PRO A 3 13.572 7.327 12.047 1.00 0.00 H new ATOM 0 HG3 PRO A 3 14.806 8.385 11.391 1.00 0.00 H new ATOM 0 HD2 PRO A 3 12.262 7.632 10.156 1.00 0.00 H new ATOM 0 HD3 PRO A 3 13.445 8.776 9.553 1.00 0.00 H new ATOM 65 N GLU A 4 13.502 4.042 9.015 1.00 0.00 N ATOM 66 CA GLU A 4 13.233 2.595 8.734 1.00 0.00 C ATOM 67 C GLU A 4 11.794 2.248 9.117 1.00 0.00 C ATOM 68 O GLU A 4 11.555 1.371 9.922 1.00 0.00 O ATOM 69 CB GLU A 4 14.182 1.713 9.550 1.00 0.00 C ATOM 70 CG GLU A 4 14.230 2.217 10.992 1.00 0.00 C ATOM 71 CD GLU A 4 14.576 1.055 11.926 1.00 0.00 C ATOM 72 OE1 GLU A 4 14.190 -0.062 11.619 1.00 0.00 O ATOM 73 OE2 GLU A 4 15.217 1.302 12.934 1.00 0.00 O ATOM 0 H GLU A 4 12.671 4.625 9.116 1.00 0.00 H new ATOM 0 HA GLU A 4 13.388 2.417 7.670 1.00 0.00 H new ATOM 0 HB2 GLU A 4 13.844 0.677 9.526 1.00 0.00 H new ATOM 0 HB3 GLU A 4 15.180 1.733 9.113 1.00 0.00 H new ATOM 0 HG2 GLU A 4 14.973 3.008 11.088 1.00 0.00 H new ATOM 0 HG3 GLU A 4 13.268 2.648 11.270 1.00 0.00 H new ATOM 80 N GLU A 5 10.830 2.921 8.552 1.00 0.00 N ATOM 81 CA GLU A 5 9.415 2.607 8.898 1.00 0.00 C ATOM 82 C GLU A 5 8.636 2.222 7.638 1.00 0.00 C ATOM 83 O GLU A 5 7.714 1.432 7.683 1.00 0.00 O ATOM 84 CB GLU A 5 8.771 3.820 9.540 1.00 0.00 C ATOM 85 CG GLU A 5 8.224 3.442 10.918 1.00 0.00 C ATOM 86 CD GLU A 5 7.245 2.275 10.776 1.00 0.00 C ATOM 87 OE1 GLU A 5 6.108 2.523 10.407 1.00 0.00 O ATOM 88 OE2 GLU A 5 7.647 1.155 11.041 1.00 0.00 O ATOM 0 H GLU A 5 10.959 3.669 7.871 1.00 0.00 H new ATOM 0 HA GLU A 5 9.398 1.769 9.595 1.00 0.00 H new ATOM 0 HB2 GLU A 5 9.501 4.624 9.635 1.00 0.00 H new ATOM 0 HB3 GLU A 5 7.966 4.194 8.908 1.00 0.00 H new ATOM 0 HG2 GLU A 5 9.042 3.165 11.582 1.00 0.00 H new ATOM 0 HG3 GLU A 5 7.723 4.298 11.369 1.00 0.00 H new ATOM 95 N LEU A 6 9.008 2.769 6.516 1.00 0.00 N ATOM 96 CA LEU A 6 8.309 2.442 5.250 1.00 0.00 C ATOM 97 C LEU A 6 8.859 1.140 4.664 1.00 0.00 C ATOM 98 O LEU A 6 8.124 0.209 4.432 1.00 0.00 O ATOM 99 CB LEU A 6 8.414 3.637 4.290 1.00 0.00 C ATOM 100 CG LEU A 6 8.809 3.214 2.875 1.00 0.00 C ATOM 101 CD1 LEU A 6 7.837 2.159 2.337 1.00 0.00 C ATOM 102 CD2 LEU A 6 8.772 4.436 1.960 1.00 0.00 C ATOM 0 H LEU A 6 9.775 3.435 6.424 1.00 0.00 H new ATOM 0 HA LEU A 6 7.248 2.268 5.432 1.00 0.00 H new ATOM 0 HB2 LEU A 6 7.457 4.158 4.257 1.00 0.00 H new ATOM 0 HB3 LEU A 6 9.149 4.344 4.674 1.00 0.00 H new ATOM 0 HG LEU A 6 9.812 2.789 2.902 1.00 0.00 H new ATOM 0 HD11 LEU A 6 8.135 1.871 1.329 1.00 0.00 H new ATOM 0 HD12 LEU A 6 7.855 1.283 2.985 1.00 0.00 H new ATOM 0 HD13 LEU A 6 6.828 2.572 2.313 1.00 0.00 H new ATOM 0 HD21 LEU A 6 9.053 4.142 0.949 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.765 4.853 1.950 1.00 0.00 H new ATOM 0 HD23 LEU A 6 9.472 5.187 2.327 1.00 0.00 H new ATOM 114 N LYS A 7 10.133 1.042 4.421 1.00 0.00 N ATOM 115 CA LYS A 7 10.640 -0.237 3.853 1.00 0.00 C ATOM 116 C LYS A 7 10.120 -1.390 4.709 1.00 0.00 C ATOM 117 O LYS A 7 10.017 -2.514 4.260 1.00 0.00 O ATOM 118 CB LYS A 7 12.163 -0.255 3.836 1.00 0.00 C ATOM 119 CG LYS A 7 12.628 -1.114 2.657 1.00 0.00 C ATOM 120 CD LYS A 7 14.154 -1.075 2.565 1.00 0.00 C ATOM 121 CE LYS A 7 14.579 -1.045 1.096 1.00 0.00 C ATOM 122 NZ LYS A 7 13.731 -1.985 0.310 1.00 0.00 N ATOM 0 H LYS A 7 10.830 1.769 4.585 1.00 0.00 H new ATOM 0 HA LYS A 7 10.288 -0.339 2.826 1.00 0.00 H new ATOM 0 HB2 LYS A 7 12.552 0.759 3.742 1.00 0.00 H new ATOM 0 HB3 LYS A 7 12.547 -0.659 4.773 1.00 0.00 H new ATOM 0 HG2 LYS A 7 12.287 -2.141 2.786 1.00 0.00 H new ATOM 0 HG3 LYS A 7 12.188 -0.746 1.730 1.00 0.00 H new ATOM 0 HD2 LYS A 7 14.537 -0.196 3.083 1.00 0.00 H new ATOM 0 HD3 LYS A 7 14.581 -1.948 3.060 1.00 0.00 H new ATOM 0 HE2 LYS A 7 14.482 -0.034 0.700 1.00 0.00 H new ATOM 0 HE3 LYS A 7 15.629 -1.324 1.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 14.277 -2.356 -0.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 13.431 -2.773 0.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 12.892 -1.482 -0.044 1.00 0.00 H new ATOM 136 N GLY A 8 9.777 -1.115 5.938 1.00 0.00 N ATOM 137 CA GLY A 8 9.249 -2.188 6.820 1.00 0.00 C ATOM 138 C GLY A 8 7.817 -2.520 6.397 1.00 0.00 C ATOM 139 O GLY A 8 7.433 -3.669 6.322 1.00 0.00 O ATOM 0 H GLY A 8 9.841 -0.192 6.367 1.00 0.00 H new ATOM 0 HA2 GLY A 8 9.878 -3.076 6.751 1.00 0.00 H new ATOM 0 HA3 GLY A 8 9.269 -1.864 7.861 1.00 0.00 H new ATOM 143 N ILE A 9 7.024 -1.520 6.114 1.00 0.00 N ATOM 144 CA ILE A 9 5.620 -1.785 5.692 1.00 0.00 C ATOM 145 C ILE A 9 5.609 -2.911 4.665 1.00 0.00 C ATOM 146 O ILE A 9 4.944 -3.906 4.831 1.00 0.00 O ATOM 147 CB ILE A 9 5.000 -0.511 5.104 1.00 0.00 C ATOM 148 CG1 ILE A 9 3.488 -0.594 5.222 1.00 0.00 C ATOM 149 CG2 ILE A 9 5.355 -0.329 3.629 1.00 0.00 C ATOM 150 CD1 ILE A 9 3.021 0.222 6.430 1.00 0.00 C ATOM 0 H ILE A 9 7.288 -0.536 6.157 1.00 0.00 H new ATOM 0 HA ILE A 9 5.027 -2.086 6.556 1.00 0.00 H new ATOM 0 HB ILE A 9 5.397 0.337 5.662 1.00 0.00 H new ATOM 0 HG12 ILE A 9 3.021 -0.216 4.313 1.00 0.00 H new ATOM 0 HG13 ILE A 9 3.178 -1.633 5.331 1.00 0.00 H new ATOM 0 HG21 ILE A 9 4.895 0.585 3.254 1.00 0.00 H new ATOM 0 HG22 ILE A 9 6.438 -0.261 3.521 1.00 0.00 H new ATOM 0 HG23 ILE A 9 4.986 -1.181 3.058 1.00 0.00 H new ATOM 0 HD11 ILE A 9 1.936 0.161 6.513 1.00 0.00 H new ATOM 0 HD12 ILE A 9 3.477 -0.176 7.336 1.00 0.00 H new ATOM 0 HD13 ILE A 9 3.317 1.263 6.302 1.00 0.00 H new ATOM 162 N PHE A 10 6.365 -2.782 3.621 1.00 0.00 N ATOM 163 CA PHE A 10 6.410 -3.867 2.613 1.00 0.00 C ATOM 164 C PHE A 10 6.540 -5.261 3.250 1.00 0.00 C ATOM 165 O PHE A 10 5.588 -6.001 3.352 1.00 0.00 O ATOM 166 CB PHE A 10 7.571 -3.628 1.637 1.00 0.00 C ATOM 167 CG PHE A 10 7.099 -3.466 0.226 1.00 0.00 C ATOM 168 CD1 PHE A 10 5.803 -3.054 -0.101 1.00 0.00 C ATOM 169 CD2 PHE A 10 7.984 -3.860 -0.774 1.00 0.00 C ATOM 170 CE1 PHE A 10 5.403 -3.052 -1.445 1.00 0.00 C ATOM 171 CE2 PHE A 10 7.597 -3.834 -2.099 1.00 0.00 C ATOM 172 CZ PHE A 10 6.312 -3.443 -2.443 1.00 0.00 C ATOM 0 H PHE A 10 6.954 -1.974 3.421 1.00 0.00 H new ATOM 0 HA PHE A 10 5.462 -3.846 2.076 1.00 0.00 H new ATOM 0 HB2 PHE A 10 8.120 -2.736 1.939 1.00 0.00 H new ATOM 0 HB3 PHE A 10 8.267 -4.465 1.692 1.00 0.00 H new ATOM 0 HD1 PHE A 10 5.118 -2.741 0.673 1.00 0.00 H new ATOM 0 HD2 PHE A 10 8.979 -4.188 -0.512 1.00 0.00 H new ATOM 0 HE1 PHE A 10 4.401 -2.751 -1.712 1.00 0.00 H new ATOM 0 HE2 PHE A 10 8.297 -4.119 -2.870 1.00 0.00 H new ATOM 0 HZ PHE A 10 6.009 -3.439 -3.480 1.00 0.00 H new ATOM 182 N GLU A 11 7.707 -5.630 3.669 1.00 0.00 N ATOM 183 CA GLU A 11 7.903 -6.982 4.285 1.00 0.00 C ATOM 184 C GLU A 11 6.804 -7.262 5.314 1.00 0.00 C ATOM 185 O GLU A 11 6.570 -8.387 5.710 1.00 0.00 O ATOM 186 CB GLU A 11 9.267 -7.028 4.977 1.00 0.00 C ATOM 187 CG GLU A 11 10.357 -6.647 3.974 1.00 0.00 C ATOM 188 CD GLU A 11 11.567 -7.565 4.158 1.00 0.00 C ATOM 189 OE1 GLU A 11 11.506 -8.692 3.694 1.00 0.00 O ATOM 190 OE2 GLU A 11 12.533 -7.124 4.759 1.00 0.00 O ATOM 0 H GLU A 11 8.548 -5.056 3.616 1.00 0.00 H new ATOM 0 HA GLU A 11 7.856 -7.739 3.502 1.00 0.00 H new ATOM 0 HB2 GLU A 11 9.281 -6.342 5.824 1.00 0.00 H new ATOM 0 HB3 GLU A 11 9.453 -8.027 5.372 1.00 0.00 H new ATOM 0 HG2 GLU A 11 9.975 -6.732 2.957 1.00 0.00 H new ATOM 0 HG3 GLU A 11 10.651 -5.607 4.119 1.00 0.00 H new ATOM 197 N LYS A 12 6.138 -6.240 5.749 1.00 0.00 N ATOM 198 CA LYS A 12 5.049 -6.400 6.758 1.00 0.00 C ATOM 199 C LYS A 12 3.730 -6.754 6.061 1.00 0.00 C ATOM 200 O LYS A 12 3.334 -7.901 5.998 1.00 0.00 O ATOM 201 CB LYS A 12 4.891 -5.095 7.544 1.00 0.00 C ATOM 202 CG LYS A 12 3.845 -5.285 8.643 1.00 0.00 C ATOM 203 CD LYS A 12 4.546 -5.541 9.977 1.00 0.00 C ATOM 204 CE LYS A 12 4.745 -7.045 10.168 1.00 0.00 C ATOM 205 NZ LYS A 12 5.581 -7.284 11.378 1.00 0.00 N ATOM 0 H LYS A 12 6.300 -5.279 5.447 1.00 0.00 H new ATOM 0 HA LYS A 12 5.309 -7.208 7.442 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.846 -4.804 7.982 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.589 -4.289 6.875 1.00 0.00 H new ATOM 0 HG2 LYS A 12 3.214 -4.399 8.716 1.00 0.00 H new ATOM 0 HG3 LYS A 12 3.192 -6.122 8.397 1.00 0.00 H new ATOM 0 HD2 LYS A 12 5.509 -5.030 9.998 1.00 0.00 H new ATOM 0 HD3 LYS A 12 3.952 -5.135 10.796 1.00 0.00 H new ATOM 0 HE2 LYS A 12 3.780 -7.540 10.276 1.00 0.00 H new ATOM 0 HE3 LYS A 12 5.227 -7.474 9.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 5.717 -8.307 11.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 6.506 -6.824 11.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 5.104 -6.888 12.213 1.00 0.00 H new ATOM 219 N TYR A 13 3.050 -5.765 5.545 1.00 0.00 N ATOM 220 CA TYR A 13 1.758 -6.010 4.855 1.00 0.00 C ATOM 221 C TYR A 13 2.031 -6.540 3.454 1.00 0.00 C ATOM 222 O TYR A 13 1.299 -7.367 2.946 1.00 0.00 O ATOM 223 CB TYR A 13 0.968 -4.702 4.754 1.00 0.00 C ATOM 224 CG TYR A 13 0.889 -4.047 6.112 1.00 0.00 C ATOM 225 CD1 TYR A 13 1.973 -3.309 6.592 1.00 0.00 C ATOM 226 CD2 TYR A 13 -0.268 -4.174 6.888 1.00 0.00 C ATOM 227 CE1 TYR A 13 1.910 -2.700 7.846 1.00 0.00 C ATOM 228 CE2 TYR A 13 -0.334 -3.563 8.146 1.00 0.00 C ATOM 229 CZ TYR A 13 0.757 -2.825 8.625 1.00 0.00 C ATOM 230 OH TYR A 13 0.704 -2.230 9.868 1.00 0.00 O ATOM 0 H TYR A 13 3.341 -4.788 5.575 1.00 0.00 H new ATOM 0 HA TYR A 13 1.179 -6.739 5.422 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.449 -4.030 4.043 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -0.035 -4.900 4.377 1.00 0.00 H new ATOM 0 HD1 TYR A 13 2.864 -3.209 5.990 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.108 -4.742 6.518 1.00 0.00 H new ATOM 0 HE1 TYR A 13 2.752 -2.132 8.214 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -1.226 -3.660 8.747 1.00 0.00 H new ATOM 0 HH TYR A 13 -0.215 -1.948 10.057 1.00 0.00 H new ATOM 240 N ALA A 14 3.085 -6.100 2.817 1.00 0.00 N ATOM 241 CA ALA A 14 3.363 -6.641 1.465 1.00 0.00 C ATOM 242 C ALA A 14 3.618 -8.134 1.624 1.00 0.00 C ATOM 243 O ALA A 14 3.335 -8.917 0.743 1.00 0.00 O ATOM 244 CB ALA A 14 4.601 -5.962 0.846 1.00 0.00 C ATOM 0 H ALA A 14 3.747 -5.407 3.167 1.00 0.00 H new ATOM 0 HA ALA A 14 2.519 -6.452 0.802 1.00 0.00 H new ATOM 0 HB1 ALA A 14 4.785 -6.375 -0.146 1.00 0.00 H new ATOM 0 HB2 ALA A 14 4.425 -4.889 0.765 1.00 0.00 H new ATOM 0 HB3 ALA A 14 5.469 -6.141 1.480 1.00 0.00 H new ATOM 250 N ASP A 15 4.151 -8.529 2.759 1.00 0.00 N ATOM 251 CA ASP A 15 4.448 -9.973 3.004 1.00 0.00 C ATOM 252 C ASP A 15 3.156 -10.710 3.343 1.00 0.00 C ATOM 253 O ASP A 15 3.074 -11.919 3.251 1.00 0.00 O ATOM 254 CB ASP A 15 5.431 -10.118 4.173 1.00 0.00 C ATOM 255 CG ASP A 15 5.827 -11.589 4.319 1.00 0.00 C ATOM 256 OD1 ASP A 15 6.104 -12.210 3.305 1.00 0.00 O ATOM 257 OD2 ASP A 15 5.847 -12.069 5.441 1.00 0.00 O ATOM 0 H ASP A 15 4.393 -7.906 3.529 1.00 0.00 H new ATOM 0 HA ASP A 15 4.892 -10.399 2.104 1.00 0.00 H new ATOM 0 HB2 ASP A 15 6.316 -9.507 3.997 1.00 0.00 H new ATOM 0 HB3 ASP A 15 4.974 -9.759 5.095 1.00 0.00 H new ATOM 262 N LYS A 16 2.146 -9.991 3.736 1.00 0.00 N ATOM 263 CA LYS A 16 0.858 -10.640 4.084 1.00 0.00 C ATOM 264 C LYS A 16 0.393 -11.511 2.917 1.00 0.00 C ATOM 265 O LYS A 16 -0.439 -12.384 3.075 1.00 0.00 O ATOM 266 CB LYS A 16 -0.178 -9.554 4.362 1.00 0.00 C ATOM 267 CG LYS A 16 -1.125 -10.022 5.467 1.00 0.00 C ATOM 268 CD LYS A 16 -0.469 -9.790 6.829 1.00 0.00 C ATOM 269 CE LYS A 16 -0.878 -10.907 7.792 1.00 0.00 C ATOM 270 NZ LYS A 16 0.224 -11.160 8.763 1.00 0.00 N ATOM 0 H LYS A 16 2.158 -8.976 3.831 1.00 0.00 H new ATOM 0 HA LYS A 16 0.982 -11.267 4.967 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.319 -8.631 4.661 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -0.741 -9.333 3.455 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.068 -9.478 5.408 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.358 -11.079 5.338 1.00 0.00 H new ATOM 0 HD2 LYS A 16 0.616 -9.767 6.722 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.771 -8.822 7.229 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.787 -10.627 8.324 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.101 -11.817 7.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -0.056 -11.919 9.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 1.082 -11.445 8.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 0.417 -10.292 9.303 1.00 0.00 H new ATOM 284 N GLU A 17 0.921 -11.286 1.745 1.00 0.00 N ATOM 285 CA GLU A 17 0.501 -12.103 0.574 1.00 0.00 C ATOM 286 C GLU A 17 1.732 -12.540 -0.228 1.00 0.00 C ATOM 287 O GLU A 17 2.301 -11.775 -0.980 1.00 0.00 O ATOM 288 CB GLU A 17 -0.433 -11.284 -0.325 1.00 0.00 C ATOM 289 CG GLU A 17 0.025 -9.820 -0.381 1.00 0.00 C ATOM 290 CD GLU A 17 1.031 -9.635 -1.520 1.00 0.00 C ATOM 291 OE1 GLU A 17 0.615 -9.685 -2.665 1.00 0.00 O ATOM 292 OE2 GLU A 17 2.200 -9.444 -1.226 1.00 0.00 O ATOM 0 H GLU A 17 1.624 -10.573 1.549 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.027 -12.987 0.932 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.444 -11.707 -1.330 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.453 -11.338 0.055 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.834 -9.166 -0.532 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.479 -9.535 0.568 1.00 0.00 H new ATOM 299 N GLY A 18 2.143 -13.769 -0.081 1.00 0.00 N ATOM 300 CA GLY A 18 3.329 -14.257 -0.843 1.00 0.00 C ATOM 301 C GLY A 18 4.598 -13.571 -0.333 1.00 0.00 C ATOM 302 O GLY A 18 5.053 -13.825 0.765 1.00 0.00 O ATOM 0 H GLY A 18 1.709 -14.458 0.534 1.00 0.00 H new ATOM 0 HA2 GLY A 18 3.421 -15.338 -0.735 1.00 0.00 H new ATOM 0 HA3 GLY A 18 3.198 -14.053 -1.906 1.00 0.00 H new ATOM 306 N ASP A 19 5.180 -12.710 -1.124 1.00 0.00 N ATOM 307 CA ASP A 19 6.426 -12.019 -0.685 1.00 0.00 C ATOM 308 C ASP A 19 6.070 -10.736 0.047 1.00 0.00 C ATOM 309 O ASP A 19 4.935 -10.326 0.082 1.00 0.00 O ATOM 310 CB ASP A 19 7.270 -11.634 -1.897 1.00 0.00 C ATOM 311 CG ASP A 19 8.744 -11.914 -1.600 1.00 0.00 C ATOM 312 OD1 ASP A 19 9.062 -12.139 -0.443 1.00 0.00 O ATOM 313 OD2 ASP A 19 9.530 -11.896 -2.532 1.00 0.00 O ATOM 0 H ASP A 19 4.847 -12.456 -2.054 1.00 0.00 H new ATOM 0 HA ASP A 19 6.980 -12.697 -0.035 1.00 0.00 H new ATOM 0 HB2 ASP A 19 6.950 -12.201 -2.771 1.00 0.00 H new ATOM 0 HB3 ASP A 19 7.129 -10.579 -2.132 1.00 0.00 H new ATOM 318 N GLY A 20 7.058 -10.079 0.575 1.00 0.00 N ATOM 319 CA GLY A 20 6.837 -8.781 1.265 1.00 0.00 C ATOM 320 C GLY A 20 7.439 -7.708 0.379 1.00 0.00 C ATOM 321 O GLY A 20 7.753 -6.617 0.813 1.00 0.00 O ATOM 0 H GLY A 20 8.029 -10.392 0.558 1.00 0.00 H new ATOM 0 HA2 GLY A 20 5.773 -8.602 1.421 1.00 0.00 H new ATOM 0 HA3 GLY A 20 7.308 -8.780 2.248 1.00 0.00 H new ATOM 325 N ASN A 21 7.604 -8.027 -0.877 1.00 0.00 N ATOM 326 CA ASN A 21 8.185 -7.058 -1.819 1.00 0.00 C ATOM 327 C ASN A 21 7.101 -6.575 -2.785 1.00 0.00 C ATOM 328 O ASN A 21 7.338 -5.770 -3.661 1.00 0.00 O ATOM 329 CB ASN A 21 9.296 -7.733 -2.607 1.00 0.00 C ATOM 330 CG ASN A 21 10.153 -8.579 -1.664 1.00 0.00 C ATOM 331 OD1 ASN A 21 10.347 -8.223 -0.518 1.00 0.00 O ATOM 332 ND2 ASN A 21 10.676 -9.691 -2.099 1.00 0.00 N ATOM 0 H ASN A 21 7.355 -8.929 -1.284 1.00 0.00 H new ATOM 0 HA ASN A 21 8.588 -6.208 -1.269 1.00 0.00 H new ATOM 0 HB2 ASN A 21 8.871 -8.361 -3.390 1.00 0.00 H new ATOM 0 HB3 ASN A 21 9.913 -6.982 -3.101 1.00 0.00 H new ATOM 0 HD21 ASN A 21 11.248 -10.263 -1.478 1.00 0.00 H new ATOM 0 HD22 ASN A 21 10.513 -9.989 -3.061 1.00 0.00 H new ATOM 339 N GLN A 22 5.912 -7.072 -2.631 1.00 0.00 N ATOM 340 CA GLN A 22 4.796 -6.639 -3.528 1.00 0.00 C ATOM 341 C GLN A 22 3.513 -6.504 -2.695 1.00 0.00 C ATOM 342 O GLN A 22 3.380 -7.097 -1.643 1.00 0.00 O ATOM 343 CB GLN A 22 4.561 -7.635 -4.678 1.00 0.00 C ATOM 344 CG GLN A 22 5.789 -8.532 -4.916 1.00 0.00 C ATOM 345 CD GLN A 22 5.381 -10.000 -4.767 1.00 0.00 C ATOM 346 OE1 GLN A 22 5.394 -10.747 -5.727 1.00 0.00 O ATOM 347 NE2 GLN A 22 5.017 -10.449 -3.598 1.00 0.00 N ATOM 0 H GLN A 22 5.657 -7.761 -1.923 1.00 0.00 H new ATOM 0 HA GLN A 22 5.069 -5.682 -3.973 1.00 0.00 H new ATOM 0 HB2 GLN A 22 3.695 -8.257 -4.449 1.00 0.00 H new ATOM 0 HB3 GLN A 22 4.328 -7.088 -5.591 1.00 0.00 H new ATOM 0 HG2 GLN A 22 6.195 -8.355 -5.912 1.00 0.00 H new ATOM 0 HG3 GLN A 22 6.576 -8.287 -4.203 1.00 0.00 H new ATOM 0 HE21 GLN A 22 5.006 -9.824 -2.792 1.00 0.00 H new ATOM 0 HE22 GLN A 22 4.744 -11.426 -3.489 1.00 0.00 H new ATOM 356 N LEU A 23 2.588 -5.691 -3.138 1.00 0.00 N ATOM 357 CA LEU A 23 1.337 -5.475 -2.355 1.00 0.00 C ATOM 358 C LEU A 23 0.082 -5.591 -3.229 1.00 0.00 C ATOM 359 O LEU A 23 0.135 -5.953 -4.383 1.00 0.00 O ATOM 360 CB LEU A 23 1.403 -4.068 -1.774 1.00 0.00 C ATOM 361 CG LEU A 23 1.941 -4.159 -0.360 1.00 0.00 C ATOM 362 CD1 LEU A 23 2.256 -2.757 0.154 1.00 0.00 C ATOM 363 CD2 LEU A 23 0.898 -4.816 0.545 1.00 0.00 C ATOM 0 H LEU A 23 2.647 -5.167 -4.011 1.00 0.00 H new ATOM 0 HA LEU A 23 1.268 -6.238 -1.580 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.047 -3.435 -2.385 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.414 -3.611 -1.775 1.00 0.00 H new ATOM 0 HG LEU A 23 2.850 -4.760 -0.355 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.643 -2.821 1.171 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.003 -2.293 -0.490 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.347 -2.155 0.149 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.287 -4.880 1.561 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.014 -4.219 0.543 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.676 -5.818 0.177 1.00 0.00 H new ATOM 375 N SER A 24 -1.053 -5.282 -2.656 1.00 0.00 N ATOM 376 CA SER A 24 -2.329 -5.335 -3.366 1.00 0.00 C ATOM 377 C SER A 24 -3.296 -4.443 -2.576 1.00 0.00 C ATOM 378 O SER A 24 -2.904 -3.804 -1.620 1.00 0.00 O ATOM 379 CB SER A 24 -2.822 -6.775 -3.380 1.00 0.00 C ATOM 380 OG SER A 24 -1.729 -7.645 -3.112 1.00 0.00 O ATOM 0 H SER A 24 -1.131 -4.985 -1.683 1.00 0.00 H new ATOM 0 HA SER A 24 -2.245 -4.993 -4.398 1.00 0.00 H new ATOM 0 HB2 SER A 24 -3.603 -6.912 -2.632 1.00 0.00 H new ATOM 0 HB3 SER A 24 -3.262 -7.012 -4.349 1.00 0.00 H new ATOM 0 HG SER A 24 -2.041 -8.574 -3.118 1.00 0.00 H new ATOM 386 N LYS A 25 -4.535 -4.384 -2.949 1.00 0.00 N ATOM 387 CA LYS A 25 -5.495 -3.519 -2.199 1.00 0.00 C ATOM 388 C LYS A 25 -5.906 -4.202 -0.892 1.00 0.00 C ATOM 389 O LYS A 25 -6.418 -3.573 0.013 1.00 0.00 O ATOM 390 CB LYS A 25 -6.735 -3.275 -3.047 1.00 0.00 C ATOM 391 CG LYS A 25 -7.161 -1.813 -2.902 1.00 0.00 C ATOM 392 CD LYS A 25 -6.890 -1.071 -4.210 1.00 0.00 C ATOM 393 CE LYS A 25 -5.521 -0.390 -4.137 1.00 0.00 C ATOM 394 NZ LYS A 25 -4.448 -1.413 -4.295 1.00 0.00 N ATOM 0 H LYS A 25 -4.932 -4.893 -3.738 1.00 0.00 H new ATOM 0 HA LYS A 25 -5.011 -2.569 -1.973 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -6.527 -3.504 -4.092 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -7.543 -3.935 -2.731 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.220 -1.755 -2.651 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -6.614 -1.343 -2.085 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -6.917 -1.768 -5.048 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -7.668 -0.329 -4.387 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -5.436 0.365 -4.919 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -5.410 0.125 -3.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -3.962 -1.550 -3.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -4.869 -2.313 -4.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -3.763 -1.090 -5.008 1.00 0.00 H new ATOM 408 N GLU A 26 -5.694 -5.485 -0.785 1.00 0.00 N ATOM 409 CA GLU A 26 -6.081 -6.202 0.460 1.00 0.00 C ATOM 410 C GLU A 26 -5.043 -5.936 1.556 1.00 0.00 C ATOM 411 O GLU A 26 -5.219 -6.325 2.693 1.00 0.00 O ATOM 412 CB GLU A 26 -6.150 -7.705 0.174 1.00 0.00 C ATOM 413 CG GLU A 26 -7.053 -8.385 1.204 1.00 0.00 C ATOM 414 CD GLU A 26 -6.495 -9.771 1.536 1.00 0.00 C ATOM 415 OE1 GLU A 26 -5.397 -10.066 1.096 1.00 0.00 O ATOM 416 OE2 GLU A 26 -7.177 -10.514 2.223 1.00 0.00 O ATOM 0 H GLU A 26 -5.269 -6.067 -1.507 1.00 0.00 H new ATOM 0 HA GLU A 26 -7.055 -5.846 0.797 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -6.535 -7.876 -0.831 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.150 -8.138 0.210 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -7.112 -7.779 2.108 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -8.067 -8.473 0.813 1.00 0.00 H new ATOM 423 N GLU A 27 -3.958 -5.284 1.225 1.00 0.00 N ATOM 424 CA GLU A 27 -2.916 -5.013 2.264 1.00 0.00 C ATOM 425 C GLU A 27 -2.470 -3.547 2.228 1.00 0.00 C ATOM 426 O GLU A 27 -1.611 -3.141 2.985 1.00 0.00 O ATOM 427 CB GLU A 27 -1.707 -5.919 2.021 1.00 0.00 C ATOM 428 CG GLU A 27 -2.171 -7.375 1.964 1.00 0.00 C ATOM 429 CD GLU A 27 -2.932 -7.713 3.247 1.00 0.00 C ATOM 430 OE1 GLU A 27 -2.470 -7.321 4.306 1.00 0.00 O ATOM 431 OE2 GLU A 27 -3.964 -8.355 3.148 1.00 0.00 O ATOM 0 H GLU A 27 -3.748 -4.930 0.291 1.00 0.00 H new ATOM 0 HA GLU A 27 -3.346 -5.218 3.244 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.214 -5.645 1.088 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.975 -5.789 2.818 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -2.811 -7.531 1.096 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.313 -8.038 1.851 1.00 0.00 H new ATOM 438 N LEU A 28 -3.057 -2.739 1.390 1.00 0.00 N ATOM 439 CA LEU A 28 -2.679 -1.312 1.357 1.00 0.00 C ATOM 440 C LEU A 28 -3.561 -0.619 2.394 1.00 0.00 C ATOM 441 O LEU A 28 -3.193 0.358 3.005 1.00 0.00 O ATOM 442 CB LEU A 28 -2.915 -0.787 -0.070 1.00 0.00 C ATOM 443 CG LEU A 28 -3.618 0.573 -0.054 1.00 0.00 C ATOM 444 CD1 LEU A 28 -2.672 1.643 0.498 1.00 0.00 C ATOM 445 CD2 LEU A 28 -4.034 0.958 -1.480 1.00 0.00 C ATOM 0 H LEU A 28 -3.783 -3.012 0.728 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.631 -1.130 1.597 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.961 -0.699 -0.590 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -3.518 -1.504 -0.628 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.501 0.506 0.581 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.179 2.608 0.506 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.377 1.379 1.514 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.785 1.705 -0.133 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.534 1.926 -1.464 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.149 1.017 -2.114 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.715 0.205 -1.876 1.00 0.00 H new ATOM 457 N LYS A 29 -4.713 -1.181 2.609 1.00 0.00 N ATOM 458 CA LYS A 29 -5.665 -0.692 3.590 1.00 0.00 C ATOM 459 C LYS A 29 -5.050 -0.746 4.994 1.00 0.00 C ATOM 460 O LYS A 29 -4.958 0.254 5.678 1.00 0.00 O ATOM 461 CB LYS A 29 -6.828 -1.643 3.501 1.00 0.00 C ATOM 462 CG LYS A 29 -7.755 -1.305 4.620 1.00 0.00 C ATOM 463 CD LYS A 29 -9.171 -1.728 4.260 1.00 0.00 C ATOM 464 CE LYS A 29 -9.506 -3.072 4.947 1.00 0.00 C ATOM 465 NZ LYS A 29 -10.864 -3.515 4.518 1.00 0.00 N ATOM 0 H LYS A 29 -5.033 -2.007 2.104 1.00 0.00 H new ATOM 0 HA LYS A 29 -5.957 0.341 3.404 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.333 -1.546 2.540 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -6.489 -2.676 3.580 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -7.436 -1.808 5.533 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -7.725 -0.234 4.819 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -9.880 -0.962 4.574 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.267 -1.828 3.179 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -8.764 -3.825 4.682 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -9.472 -2.959 6.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -11.095 -4.419 4.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -11.566 -2.798 4.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -10.879 -3.637 3.485 1.00 0.00 H new ATOM 479 N LEU A 30 -4.629 -1.908 5.431 1.00 0.00 N ATOM 480 CA LEU A 30 -4.027 -2.008 6.791 1.00 0.00 C ATOM 481 C LEU A 30 -2.836 -1.062 6.876 1.00 0.00 C ATOM 482 O LEU A 30 -2.431 -0.646 7.939 1.00 0.00 O ATOM 483 CB LEU A 30 -3.559 -3.443 7.043 1.00 0.00 C ATOM 484 CG LEU A 30 -4.772 -4.372 7.112 1.00 0.00 C ATOM 485 CD1 LEU A 30 -5.030 -4.979 5.731 1.00 0.00 C ATOM 486 CD2 LEU A 30 -4.494 -5.489 8.122 1.00 0.00 C ATOM 0 H LEU A 30 -4.677 -2.782 4.908 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.769 -1.737 7.542 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.888 -3.763 6.246 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.995 -3.494 7.974 1.00 0.00 H new ATOM 0 HG LEU A 30 -5.650 -3.807 7.426 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -5.894 -5.641 5.780 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.224 -4.182 5.014 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.155 -5.547 5.414 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.356 -6.154 8.175 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -3.618 -6.055 7.806 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.311 -5.054 9.104 1.00 0.00 H new ATOM 498 N LEU A 31 -2.282 -0.713 5.753 1.00 0.00 N ATOM 499 CA LEU A 31 -1.122 0.208 5.746 1.00 0.00 C ATOM 500 C LEU A 31 -1.510 1.508 6.447 1.00 0.00 C ATOM 501 O LEU A 31 -1.046 1.796 7.531 1.00 0.00 O ATOM 502 CB LEU A 31 -0.718 0.494 4.299 1.00 0.00 C ATOM 503 CG LEU A 31 0.760 0.170 4.110 1.00 0.00 C ATOM 504 CD1 LEU A 31 0.958 -1.343 4.183 1.00 0.00 C ATOM 505 CD2 LEU A 31 1.224 0.680 2.746 1.00 0.00 C ATOM 0 H LEU A 31 -2.587 -1.030 4.833 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.281 -0.245 6.271 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.322 -0.104 3.617 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.906 1.540 4.058 1.00 0.00 H new ATOM 0 HG LEU A 31 1.343 0.653 4.894 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.014 -1.579 4.048 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.626 -1.707 5.155 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.376 -1.824 3.397 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.281 0.448 2.611 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.643 0.197 1.960 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.080 1.759 2.693 1.00 0.00 H new ATOM 517 N LEU A 32 -2.353 2.301 5.843 1.00 0.00 N ATOM 518 CA LEU A 32 -2.741 3.571 6.500 1.00 0.00 C ATOM 519 C LEU A 32 -3.438 3.273 7.827 1.00 0.00 C ATOM 520 O LEU A 32 -3.147 3.855 8.832 1.00 0.00 O ATOM 521 CB LEU A 32 -3.671 4.418 5.627 1.00 0.00 C ATOM 522 CG LEU A 32 -3.562 4.045 4.149 1.00 0.00 C ATOM 523 CD1 LEU A 32 -2.106 3.808 3.734 1.00 0.00 C ATOM 524 CD2 LEU A 32 -4.410 2.809 3.879 1.00 0.00 C ATOM 0 H LEU A 32 -2.782 2.124 4.935 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.826 4.140 6.666 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.701 4.286 5.960 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.427 5.473 5.754 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.933 4.877 3.551 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.067 3.545 2.677 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.527 4.716 3.903 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.687 2.994 4.326 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.335 2.539 2.826 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.052 1.981 4.492 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.450 3.020 4.126 1.00 0.00 H new ATOM 536 N GLN A 33 -4.364 2.382 7.868 1.00 0.00 N ATOM 537 CA GLN A 33 -5.025 2.144 9.189 1.00 0.00 C ATOM 538 C GLN A 33 -3.971 1.876 10.264 1.00 0.00 C ATOM 539 O GLN A 33 -4.217 2.076 11.438 1.00 0.00 O ATOM 540 CB GLN A 33 -6.004 0.971 9.100 1.00 0.00 C ATOM 541 CG GLN A 33 -7.313 1.440 8.459 1.00 0.00 C ATOM 542 CD GLN A 33 -8.481 0.652 9.055 1.00 0.00 C ATOM 543 OE1 GLN A 33 -9.576 1.165 9.179 1.00 0.00 O ATOM 544 NE2 GLN A 33 -8.294 -0.584 9.430 1.00 0.00 N ATOM 0 H GLN A 33 -4.694 1.818 7.085 1.00 0.00 H new ATOM 0 HA GLN A 33 -5.586 3.038 9.461 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -5.568 0.164 8.511 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -6.198 0.570 10.095 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -7.454 2.507 8.632 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -7.275 1.294 7.379 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -7.375 -1.015 9.326 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -9.066 -1.119 9.827 1.00 0.00 H new ATOM 553 N THR A 34 -2.795 1.464 9.894 1.00 0.00 N ATOM 554 CA THR A 34 -1.751 1.241 10.932 1.00 0.00 C ATOM 555 C THR A 34 -1.154 2.600 11.298 1.00 0.00 C ATOM 556 O THR A 34 -0.826 2.864 12.439 1.00 0.00 O ATOM 557 CB THR A 34 -0.661 0.313 10.392 1.00 0.00 C ATOM 558 OG1 THR A 34 -1.201 -0.991 10.240 1.00 0.00 O ATOM 559 CG2 THR A 34 0.508 0.270 11.376 1.00 0.00 C ATOM 0 H THR A 34 -2.511 1.274 8.933 1.00 0.00 H new ATOM 0 HA THR A 34 -2.188 0.771 11.813 1.00 0.00 H new ATOM 0 HB THR A 34 -0.306 0.681 9.429 1.00 0.00 H new ATOM 0 HG1 THR A 34 -1.967 -0.959 9.630 1.00 0.00 H new ATOM 0 HG21 THR A 34 1.284 -0.391 10.990 1.00 0.00 H new ATOM 0 HG22 THR A 34 0.915 1.273 11.501 1.00 0.00 H new ATOM 0 HG23 THR A 34 0.159 -0.103 12.339 1.00 0.00 H new ATOM 567 N GLU A 35 -1.027 3.470 10.333 1.00 0.00 N ATOM 568 CA GLU A 35 -0.470 4.823 10.609 1.00 0.00 C ATOM 569 C GLU A 35 -1.619 5.848 10.670 1.00 0.00 C ATOM 570 O GLU A 35 -1.775 6.545 11.654 1.00 0.00 O ATOM 571 CB GLU A 35 0.532 5.210 9.510 1.00 0.00 C ATOM 572 CG GLU A 35 1.198 3.948 8.947 1.00 0.00 C ATOM 573 CD GLU A 35 1.880 4.283 7.621 1.00 0.00 C ATOM 574 OE1 GLU A 35 2.620 5.252 7.585 1.00 0.00 O ATOM 575 OE2 GLU A 35 1.652 3.563 6.662 1.00 0.00 O ATOM 0 H GLU A 35 -1.287 3.300 9.361 1.00 0.00 H new ATOM 0 HA GLU A 35 0.050 4.814 11.567 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.021 5.749 8.712 1.00 0.00 H new ATOM 0 HB3 GLU A 35 1.289 5.882 9.915 1.00 0.00 H new ATOM 0 HG2 GLU A 35 1.929 3.561 9.657 1.00 0.00 H new ATOM 0 HG3 GLU A 35 0.453 3.166 8.798 1.00 0.00 H new ATOM 582 N PHE A 36 -2.430 5.952 9.638 1.00 0.00 N ATOM 583 CA PHE A 36 -3.543 6.926 9.662 1.00 0.00 C ATOM 584 C PHE A 36 -4.864 6.264 9.236 1.00 0.00 C ATOM 585 O PHE A 36 -5.250 6.407 8.096 1.00 0.00 O ATOM 586 CB PHE A 36 -3.236 8.088 8.701 1.00 0.00 C ATOM 587 CG PHE A 36 -1.751 8.153 8.401 1.00 0.00 C ATOM 588 CD1 PHE A 36 -0.826 8.284 9.445 1.00 0.00 C ATOM 589 CD2 PHE A 36 -1.303 8.080 7.075 1.00 0.00 C ATOM 590 CE1 PHE A 36 0.546 8.343 9.163 1.00 0.00 C ATOM 591 CE2 PHE A 36 0.068 8.137 6.793 1.00 0.00 C ATOM 592 CZ PHE A 36 0.992 8.269 7.837 1.00 0.00 C ATOM 0 H PHE A 36 -2.358 5.398 8.785 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.646 7.297 10.682 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.795 7.958 7.774 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.565 9.029 9.142 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -1.170 8.340 10.467 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.016 7.980 6.270 1.00 0.00 H new ATOM 0 HE1 PHE A 36 1.259 8.445 9.968 1.00 0.00 H new ATOM 0 HE2 PHE A 36 0.412 8.079 5.771 1.00 0.00 H new ATOM 0 HZ PHE A 36 2.049 8.314 7.620 1.00 0.00 H new ATOM 602 N PRO A 37 -5.545 5.624 10.194 1.00 0.00 N ATOM 603 CA PRO A 37 -6.849 4.996 10.038 1.00 0.00 C ATOM 604 C PRO A 37 -7.432 5.379 8.733 1.00 0.00 C ATOM 605 O PRO A 37 -8.287 6.226 8.565 1.00 0.00 O ATOM 606 CB PRO A 37 -7.565 5.436 11.290 1.00 0.00 C ATOM 607 CG PRO A 37 -6.417 5.473 12.335 1.00 0.00 C ATOM 608 CD PRO A 37 -5.089 5.489 11.535 1.00 0.00 C ATOM 0 HA PRO A 37 -6.879 3.908 9.976 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -8.035 6.412 11.168 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -8.352 4.737 11.575 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -6.498 6.356 12.968 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -6.463 4.604 12.992 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.446 6.318 11.831 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -4.516 4.573 11.680 1.00 0.00 H new ATOM 616 N SER A 38 -6.824 4.742 7.816 1.00 0.00 N ATOM 617 CA SER A 38 -7.091 4.944 6.370 1.00 0.00 C ATOM 618 C SER A 38 -8.509 5.416 6.156 1.00 0.00 C ATOM 619 O SER A 38 -9.475 4.822 6.593 1.00 0.00 O ATOM 620 CB SER A 38 -6.901 3.620 5.630 1.00 0.00 C ATOM 621 OG SER A 38 -8.075 2.830 5.777 1.00 0.00 O ATOM 0 H SER A 38 -6.106 4.043 8.005 1.00 0.00 H new ATOM 0 HA SER A 38 -6.399 5.696 5.990 1.00 0.00 H new ATOM 0 HB2 SER A 38 -6.702 3.805 4.574 1.00 0.00 H new ATOM 0 HB3 SER A 38 -6.037 3.087 6.028 1.00 0.00 H new ATOM 0 HG SER A 38 -8.679 3.258 6.419 1.00 0.00 H new ATOM 627 N LEU A 39 -8.605 6.520 5.484 1.00 0.00 N ATOM 628 CA LEU A 39 -9.913 7.139 5.202 1.00 0.00 C ATOM 629 C LEU A 39 -10.556 6.450 3.993 1.00 0.00 C ATOM 630 O LEU A 39 -11.477 6.966 3.393 1.00 0.00 O ATOM 631 CB LEU A 39 -9.700 8.638 4.934 1.00 0.00 C ATOM 632 CG LEU A 39 -8.635 9.229 5.896 1.00 0.00 C ATOM 633 CD1 LEU A 39 -8.606 8.469 7.233 1.00 0.00 C ATOM 634 CD2 LEU A 39 -7.243 9.149 5.251 1.00 0.00 C ATOM 0 H LEU A 39 -7.806 7.031 5.109 1.00 0.00 H new ATOM 0 HA LEU A 39 -10.583 7.022 6.054 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -9.384 8.785 3.901 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -10.643 9.171 5.058 1.00 0.00 H new ATOM 0 HG LEU A 39 -8.903 10.268 6.087 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -7.850 8.907 7.884 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -9.582 8.539 7.712 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -8.365 7.422 7.051 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -6.502 9.566 5.933 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.998 8.108 5.041 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -7.240 9.717 4.321 1.00 0.00 H new ATOM 646 N LEU A 40 -10.087 5.278 3.642 1.00 0.00 N ATOM 647 CA LEU A 40 -10.686 4.545 2.493 1.00 0.00 C ATOM 648 C LEU A 40 -12.161 4.315 2.817 1.00 0.00 C ATOM 649 O LEU A 40 -13.021 4.335 1.959 1.00 0.00 O ATOM 650 CB LEU A 40 -9.995 3.177 2.303 1.00 0.00 C ATOM 651 CG LEU A 40 -8.493 3.230 2.662 1.00 0.00 C ATOM 652 CD1 LEU A 40 -7.747 2.158 1.861 1.00 0.00 C ATOM 653 CD2 LEU A 40 -7.903 4.601 2.319 1.00 0.00 C ATOM 0 H LEU A 40 -9.314 4.800 4.105 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.563 5.124 1.577 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -10.490 2.432 2.926 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.109 2.854 1.268 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.384 3.054 3.732 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.686 2.190 2.110 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.148 1.175 2.108 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.875 2.345 0.795 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.845 4.617 2.580 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.017 4.789 1.251 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.427 5.374 2.882 1.00 0.00 H new ATOM 767 N GLU A 48 -6.925 8.037 -5.454 1.00 0.00 N ATOM 768 CA GLU A 48 -6.228 7.466 -6.635 1.00 0.00 C ATOM 769 C GLU A 48 -4.956 6.736 -6.222 1.00 0.00 C ATOM 770 O GLU A 48 -4.004 6.655 -6.970 1.00 0.00 O ATOM 771 CB GLU A 48 -5.821 8.610 -7.508 1.00 0.00 C ATOM 772 CG GLU A 48 -6.718 8.663 -8.740 1.00 0.00 C ATOM 773 CD GLU A 48 -5.860 8.864 -9.989 1.00 0.00 C ATOM 774 OE1 GLU A 48 -4.650 8.925 -9.849 1.00 0.00 O ATOM 775 OE2 GLU A 48 -6.428 8.952 -11.066 1.00 0.00 O ATOM 0 HA GLU A 48 -6.894 6.766 -7.139 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -5.893 9.546 -6.954 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -4.780 8.497 -7.809 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -7.292 7.740 -8.825 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -7.436 9.477 -8.645 1.00 0.00 H new ATOM 782 N LEU A 49 -4.935 6.207 -5.055 1.00 0.00 N ATOM 783 CA LEU A 49 -3.728 5.469 -4.587 1.00 0.00 C ATOM 784 C LEU A 49 -3.702 4.116 -5.284 1.00 0.00 C ATOM 785 O LEU A 49 -2.682 3.467 -5.394 1.00 0.00 O ATOM 786 CB LEU A 49 -3.809 5.259 -3.074 1.00 0.00 C ATOM 787 CG LEU A 49 -2.421 5.442 -2.455 1.00 0.00 C ATOM 788 CD1 LEU A 49 -2.243 6.895 -2.015 1.00 0.00 C ATOM 789 CD2 LEU A 49 -2.283 4.524 -1.239 1.00 0.00 C ATOM 0 H LEU A 49 -5.704 6.246 -4.386 1.00 0.00 H new ATOM 0 HA LEU A 49 -2.826 6.035 -4.819 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.510 5.969 -2.635 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -4.187 4.260 -2.855 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.659 5.191 -3.193 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.254 7.023 -1.575 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.343 7.552 -2.879 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.004 7.148 -1.277 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.295 4.652 -0.796 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.046 4.778 -0.503 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.409 3.487 -1.550 1.00 0.00 H new ATOM 801 N PHE A 50 -4.838 3.698 -5.755 1.00 0.00 N ATOM 802 CA PHE A 50 -4.940 2.396 -6.454 1.00 0.00 C ATOM 803 C PHE A 50 -4.481 2.556 -7.906 1.00 0.00 C ATOM 804 O PHE A 50 -3.725 1.757 -8.423 1.00 0.00 O ATOM 805 CB PHE A 50 -6.402 1.958 -6.418 1.00 0.00 C ATOM 806 CG PHE A 50 -6.547 0.558 -6.981 1.00 0.00 C ATOM 807 CD1 PHE A 50 -5.411 -0.207 -7.283 1.00 0.00 C ATOM 808 CD2 PHE A 50 -7.824 0.025 -7.200 1.00 0.00 C ATOM 809 CE1 PHE A 50 -5.553 -1.499 -7.801 1.00 0.00 C ATOM 810 CE2 PHE A 50 -7.965 -1.267 -7.719 1.00 0.00 C ATOM 811 CZ PHE A 50 -6.830 -2.029 -8.020 1.00 0.00 C ATOM 0 H PHE A 50 -5.715 4.214 -5.683 1.00 0.00 H new ATOM 0 HA PHE A 50 -4.310 1.650 -5.969 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -6.771 1.985 -5.393 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -7.011 2.654 -6.995 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -4.425 0.202 -7.116 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -8.701 0.612 -6.968 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -4.677 -2.087 -8.032 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -8.950 -1.676 -7.887 1.00 0.00 H new ATOM 0 HZ PHE A 50 -6.940 -3.026 -8.421 1.00 0.00 H new ATOM 821 N GLU A 51 -4.941 3.583 -8.566 1.00 0.00 N ATOM 822 CA GLU A 51 -4.547 3.803 -9.985 1.00 0.00 C ATOM 823 C GLU A 51 -3.095 4.283 -10.049 1.00 0.00 C ATOM 824 O GLU A 51 -2.362 3.957 -10.962 1.00 0.00 O ATOM 825 CB GLU A 51 -5.461 4.863 -10.599 1.00 0.00 C ATOM 826 CG GLU A 51 -6.230 4.257 -11.775 1.00 0.00 C ATOM 827 CD GLU A 51 -6.860 2.930 -11.347 1.00 0.00 C ATOM 828 OE1 GLU A 51 -7.833 2.968 -10.611 1.00 0.00 O ATOM 829 OE2 GLU A 51 -6.359 1.898 -11.761 1.00 0.00 O ATOM 0 H GLU A 51 -5.576 4.282 -8.181 1.00 0.00 H new ATOM 0 HA GLU A 51 -4.641 2.869 -10.539 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -6.158 5.236 -9.849 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -4.871 5.715 -10.937 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -7.004 4.947 -12.111 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -5.558 4.097 -12.618 1.00 0.00 H new ATOM 836 N GLU A 52 -2.673 5.054 -9.086 1.00 0.00 N ATOM 837 CA GLU A 52 -1.269 5.555 -9.088 1.00 0.00 C ATOM 838 C GLU A 52 -0.314 4.380 -8.891 1.00 0.00 C ATOM 839 O GLU A 52 0.882 4.499 -9.076 1.00 0.00 O ATOM 840 CB GLU A 52 -1.082 6.556 -7.947 1.00 0.00 C ATOM 841 CG GLU A 52 -1.249 7.980 -8.478 1.00 0.00 C ATOM 842 CD GLU A 52 -1.687 8.898 -7.336 1.00 0.00 C ATOM 843 OE1 GLU A 52 -1.020 8.897 -6.313 1.00 0.00 O ATOM 844 OE2 GLU A 52 -2.681 9.584 -7.502 1.00 0.00 O ATOM 0 H GLU A 52 -3.241 5.360 -8.296 1.00 0.00 H new ATOM 0 HA GLU A 52 -1.058 6.044 -10.039 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -1.810 6.364 -7.159 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -0.093 6.436 -7.504 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -0.310 8.334 -8.904 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -1.989 7.997 -9.278 1.00 0.00 H new ATOM 851 N LEU A 53 -0.832 3.246 -8.511 1.00 0.00 N ATOM 852 CA LEU A 53 0.040 2.062 -8.293 1.00 0.00 C ATOM 853 C LEU A 53 -0.597 0.834 -8.953 1.00 0.00 C ATOM 854 O LEU A 53 -0.139 -0.280 -8.792 1.00 0.00 O ATOM 855 CB LEU A 53 0.192 1.817 -6.789 1.00 0.00 C ATOM 856 CG LEU A 53 0.222 3.154 -6.040 1.00 0.00 C ATOM 857 CD1 LEU A 53 0.018 2.909 -4.544 1.00 0.00 C ATOM 858 CD2 LEU A 53 1.576 3.832 -6.256 1.00 0.00 C ATOM 0 H LEU A 53 -1.826 3.089 -8.342 1.00 0.00 H new ATOM 0 HA LEU A 53 1.021 2.241 -8.733 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.635 1.206 -6.426 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.109 1.261 -6.594 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.574 3.795 -6.419 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.040 3.861 -4.013 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.945 2.425 -4.383 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.814 2.266 -4.169 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.596 4.783 -5.723 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.370 3.188 -5.879 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.728 4.010 -7.321 1.00 0.00 H new ATOM 870 N ASP A 54 -1.656 1.031 -9.694 1.00 0.00 N ATOM 871 CA ASP A 54 -2.331 -0.118 -10.364 1.00 0.00 C ATOM 872 C ASP A 54 -1.385 -0.760 -11.381 1.00 0.00 C ATOM 873 O ASP A 54 -1.640 -1.833 -11.887 1.00 0.00 O ATOM 874 CB ASP A 54 -3.587 0.383 -11.083 1.00 0.00 C ATOM 875 CG ASP A 54 -4.491 -0.802 -11.425 1.00 0.00 C ATOM 876 OD1 ASP A 54 -4.595 -1.699 -10.605 1.00 0.00 O ATOM 877 OD2 ASP A 54 -5.065 -0.792 -12.502 1.00 0.00 O ATOM 0 H ASP A 54 -2.083 1.941 -9.864 1.00 0.00 H new ATOM 0 HA ASP A 54 -2.605 -0.860 -9.614 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -4.122 1.091 -10.450 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -3.309 0.916 -11.993 1.00 0.00 H new ATOM 882 N LYS A 55 -0.299 -0.112 -11.686 1.00 0.00 N ATOM 883 CA LYS A 55 0.659 -0.688 -12.675 1.00 0.00 C ATOM 884 C LYS A 55 -0.062 -0.901 -14.013 1.00 0.00 C ATOM 885 O LYS A 55 -0.300 0.036 -14.750 1.00 0.00 O ATOM 886 CB LYS A 55 1.195 -2.023 -12.149 1.00 0.00 C ATOM 887 CG LYS A 55 2.426 -1.774 -11.275 1.00 0.00 C ATOM 888 CD LYS A 55 3.540 -2.749 -11.671 1.00 0.00 C ATOM 889 CE LYS A 55 2.996 -4.200 -11.649 1.00 0.00 C ATOM 890 NZ LYS A 55 3.481 -4.926 -12.857 1.00 0.00 N ATOM 0 H LYS A 55 -0.030 0.791 -11.295 1.00 0.00 H new ATOM 0 HA LYS A 55 1.494 -0.003 -12.822 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.424 -2.534 -11.572 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.454 -2.676 -12.982 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.768 -0.746 -11.395 1.00 0.00 H new ATOM 0 HG3 LYS A 55 2.171 -1.904 -10.223 1.00 0.00 H new ATOM 0 HD2 LYS A 55 3.913 -2.505 -12.666 1.00 0.00 H new ATOM 0 HD3 LYS A 55 4.380 -2.655 -10.983 1.00 0.00 H new ATOM 0 HE2 LYS A 55 3.328 -4.711 -10.745 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.906 -4.192 -11.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 3.118 -5.900 -12.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 3.143 -4.441 -13.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 4.521 -4.944 -12.857 1.00 0.00 H new ATOM 904 N ASN A 56 -0.416 -2.118 -14.339 1.00 0.00 N ATOM 905 CA ASN A 56 -1.120 -2.363 -15.626 1.00 0.00 C ATOM 906 C ASN A 56 -2.565 -2.790 -15.339 1.00 0.00 C ATOM 907 O ASN A 56 -3.408 -2.796 -16.213 1.00 0.00 O ATOM 908 CB ASN A 56 -0.370 -3.453 -16.410 1.00 0.00 C ATOM 909 CG ASN A 56 -0.908 -4.846 -16.071 1.00 0.00 C ATOM 910 OD1 ASN A 56 -1.061 -5.680 -16.942 1.00 0.00 O ATOM 911 ND2 ASN A 56 -1.203 -5.132 -14.838 1.00 0.00 N ATOM 0 H ASN A 56 -0.247 -2.947 -13.770 1.00 0.00 H new ATOM 0 HA ASN A 56 -1.141 -1.453 -16.226 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -0.472 -3.271 -17.480 1.00 0.00 H new ATOM 0 HB3 ASN A 56 0.694 -3.405 -16.179 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -1.563 -6.056 -14.601 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -1.074 -4.432 -14.107 1.00 0.00 H new ATOM 918 N GLY A 57 -2.850 -3.143 -14.115 1.00 0.00 N ATOM 919 CA GLY A 57 -4.232 -3.568 -13.759 1.00 0.00 C ATOM 920 C GLY A 57 -4.207 -4.995 -13.216 1.00 0.00 C ATOM 921 O GLY A 57 -4.827 -5.886 -13.759 1.00 0.00 O ATOM 0 H GLY A 57 -2.182 -3.155 -13.344 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.650 -2.892 -13.013 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.877 -3.513 -14.636 1.00 0.00 H new ATOM 925 N ASP A 58 -3.500 -5.219 -12.145 1.00 0.00 N ATOM 926 CA ASP A 58 -3.443 -6.586 -11.565 1.00 0.00 C ATOM 927 C ASP A 58 -3.761 -6.515 -10.072 1.00 0.00 C ATOM 928 O ASP A 58 -3.701 -7.503 -9.368 1.00 0.00 O ATOM 929 CB ASP A 58 -2.043 -7.169 -11.762 1.00 0.00 C ATOM 930 CG ASP A 58 -2.142 -8.484 -12.541 1.00 0.00 C ATOM 931 OD1 ASP A 58 -3.240 -9.002 -12.654 1.00 0.00 O ATOM 932 OD2 ASP A 58 -1.116 -8.950 -13.008 1.00 0.00 O ATOM 0 H ASP A 58 -2.959 -4.513 -11.646 1.00 0.00 H new ATOM 0 HA ASP A 58 -4.172 -7.224 -12.064 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.415 -6.460 -12.302 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -1.570 -7.341 -10.795 1.00 0.00 H new ATOM 937 N GLY A 59 -4.099 -5.352 -9.581 1.00 0.00 N ATOM 938 CA GLY A 59 -4.420 -5.226 -8.135 1.00 0.00 C ATOM 939 C GLY A 59 -3.146 -5.441 -7.313 1.00 0.00 C ATOM 940 O GLY A 59 -3.197 -5.811 -6.158 1.00 0.00 O ATOM 0 H GLY A 59 -4.166 -4.488 -10.119 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -4.838 -4.241 -7.928 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -5.176 -5.959 -7.853 1.00 0.00 H new ATOM 944 N GLU A 60 -2.003 -5.220 -7.904 1.00 0.00 N ATOM 945 CA GLU A 60 -0.727 -5.420 -7.161 1.00 0.00 C ATOM 946 C GLU A 60 0.071 -4.114 -7.152 1.00 0.00 C ATOM 947 O GLU A 60 -0.134 -3.242 -7.974 1.00 0.00 O ATOM 948 CB GLU A 60 0.091 -6.520 -7.848 1.00 0.00 C ATOM 949 CG GLU A 60 1.536 -6.488 -7.341 1.00 0.00 C ATOM 950 CD GLU A 60 2.369 -7.520 -8.105 1.00 0.00 C ATOM 951 OE1 GLU A 60 1.956 -7.900 -9.188 1.00 0.00 O ATOM 952 OE2 GLU A 60 3.404 -7.913 -7.592 1.00 0.00 O ATOM 0 H GLU A 60 -1.898 -4.909 -8.870 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.944 -5.715 -6.134 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.353 -7.495 -7.647 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.072 -6.378 -8.929 1.00 0.00 H new ATOM 0 HG2 GLU A 60 1.958 -5.492 -7.477 1.00 0.00 H new ATOM 0 HG3 GLU A 60 1.562 -6.703 -6.273 1.00 0.00 H new ATOM 959 N VAL A 61 0.986 -3.981 -6.232 1.00 0.00 N ATOM 960 CA VAL A 61 1.813 -2.749 -6.159 1.00 0.00 C ATOM 961 C VAL A 61 3.206 -3.145 -5.684 1.00 0.00 C ATOM 962 O VAL A 61 3.436 -3.387 -4.519 1.00 0.00 O ATOM 963 CB VAL A 61 1.177 -1.750 -5.180 1.00 0.00 C ATOM 964 CG1 VAL A 61 2.243 -0.811 -4.602 1.00 0.00 C ATOM 965 CG2 VAL A 61 0.142 -0.918 -5.927 1.00 0.00 C ATOM 0 H VAL A 61 1.196 -4.682 -5.521 1.00 0.00 H new ATOM 0 HA VAL A 61 1.875 -2.272 -7.137 1.00 0.00 H new ATOM 0 HB VAL A 61 0.710 -2.302 -4.364 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.775 -0.110 -3.911 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.994 -1.396 -4.072 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.719 -0.258 -5.412 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.316 -0.205 -5.241 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.627 -0.378 -6.740 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.627 -1.574 -6.335 1.00 0.00 H new ATOM 975 N SER A 62 4.136 -3.206 -6.581 1.00 0.00 N ATOM 976 CA SER A 62 5.513 -3.591 -6.194 1.00 0.00 C ATOM 977 C SER A 62 6.164 -2.385 -5.510 1.00 0.00 C ATOM 978 O SER A 62 5.562 -1.338 -5.381 1.00 0.00 O ATOM 979 CB SER A 62 6.299 -3.984 -7.457 1.00 0.00 C ATOM 980 OG SER A 62 6.486 -2.830 -8.274 1.00 0.00 O ATOM 0 H SER A 62 4.003 -3.005 -7.572 1.00 0.00 H new ATOM 0 HA SER A 62 5.506 -4.441 -5.512 1.00 0.00 H new ATOM 0 HB2 SER A 62 7.264 -4.409 -7.181 1.00 0.00 H new ATOM 0 HB3 SER A 62 5.759 -4.752 -8.011 1.00 0.00 H new ATOM 0 HG SER A 62 6.988 -3.077 -9.079 1.00 0.00 H new ATOM 986 N PHE A 63 7.372 -2.523 -5.056 1.00 0.00 N ATOM 987 CA PHE A 63 8.049 -1.391 -4.365 1.00 0.00 C ATOM 988 C PHE A 63 8.334 -0.275 -5.379 1.00 0.00 C ATOM 989 O PHE A 63 8.801 0.784 -5.027 1.00 0.00 O ATOM 990 CB PHE A 63 9.360 -1.904 -3.765 1.00 0.00 C ATOM 991 CG PHE A 63 9.760 -1.107 -2.532 1.00 0.00 C ATOM 992 CD1 PHE A 63 8.884 -0.978 -1.440 1.00 0.00 C ATOM 993 CD2 PHE A 63 11.024 -0.509 -2.477 1.00 0.00 C ATOM 994 CE1 PHE A 63 9.276 -0.251 -0.307 1.00 0.00 C ATOM 995 CE2 PHE A 63 11.414 0.217 -1.344 1.00 0.00 C ATOM 996 CZ PHE A 63 10.539 0.346 -0.259 1.00 0.00 C ATOM 0 H PHE A 63 7.926 -3.376 -5.133 1.00 0.00 H new ATOM 0 HA PHE A 63 7.414 -0.993 -3.573 1.00 0.00 H new ATOM 0 HB2 PHE A 63 9.253 -2.956 -3.500 1.00 0.00 H new ATOM 0 HB3 PHE A 63 10.152 -1.842 -4.512 1.00 0.00 H new ATOM 0 HD1 PHE A 63 7.908 -1.439 -1.474 1.00 0.00 H new ATOM 0 HD2 PHE A 63 11.702 -0.608 -3.312 1.00 0.00 H new ATOM 0 HE1 PHE A 63 8.601 -0.152 0.530 1.00 0.00 H new ATOM 0 HE2 PHE A 63 12.390 0.677 -1.308 1.00 0.00 H new ATOM 0 HZ PHE A 63 10.839 0.906 0.614 1.00 0.00 H new ATOM 1006 N GLU A 64 8.050 -0.502 -6.637 1.00 0.00 N ATOM 1007 CA GLU A 64 8.300 0.558 -7.662 1.00 0.00 C ATOM 1008 C GLU A 64 7.155 1.575 -7.616 1.00 0.00 C ATOM 1009 O GLU A 64 7.360 2.765 -7.756 1.00 0.00 O ATOM 1010 CB GLU A 64 8.370 -0.071 -9.059 1.00 0.00 C ATOM 1011 CG GLU A 64 9.339 0.725 -9.935 1.00 0.00 C ATOM 1012 CD GLU A 64 10.637 -0.066 -10.107 1.00 0.00 C ATOM 1013 OE1 GLU A 64 10.558 -1.220 -10.495 1.00 0.00 O ATOM 1014 OE2 GLU A 64 11.689 0.497 -9.851 1.00 0.00 O ATOM 0 H GLU A 64 7.657 -1.372 -6.998 1.00 0.00 H new ATOM 0 HA GLU A 64 9.247 1.054 -7.449 1.00 0.00 H new ATOM 0 HB2 GLU A 64 8.699 -1.108 -8.986 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.379 -0.082 -9.513 1.00 0.00 H new ATOM 0 HG2 GLU A 64 8.889 0.922 -10.908 1.00 0.00 H new ATOM 0 HG3 GLU A 64 9.548 1.693 -9.479 1.00 0.00 H new ATOM 1021 N GLU A 65 5.952 1.114 -7.398 1.00 0.00 N ATOM 1022 CA GLU A 65 4.789 2.047 -7.315 1.00 0.00 C ATOM 1023 C GLU A 65 4.577 2.396 -5.843 1.00 0.00 C ATOM 1024 O GLU A 65 3.992 3.401 -5.494 1.00 0.00 O ATOM 1025 CB GLU A 65 3.535 1.369 -7.875 1.00 0.00 C ATOM 1026 CG GLU A 65 3.891 0.572 -9.131 1.00 0.00 C ATOM 1027 CD GLU A 65 3.821 1.489 -10.352 1.00 0.00 C ATOM 1028 OE1 GLU A 65 2.728 1.693 -10.854 1.00 0.00 O ATOM 1029 OE2 GLU A 65 4.863 1.971 -10.767 1.00 0.00 O ATOM 0 H GLU A 65 5.723 0.128 -7.273 1.00 0.00 H new ATOM 0 HA GLU A 65 4.981 2.948 -7.898 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.103 0.707 -7.124 1.00 0.00 H new ATOM 0 HB3 GLU A 65 2.780 2.119 -8.111 1.00 0.00 H new ATOM 0 HG2 GLU A 65 4.892 0.151 -9.036 1.00 0.00 H new ATOM 0 HG3 GLU A 65 3.203 -0.265 -9.251 1.00 0.00 H new ATOM 1036 N PHE A 66 5.084 1.558 -4.983 1.00 0.00 N ATOM 1037 CA PHE A 66 4.976 1.778 -3.513 1.00 0.00 C ATOM 1038 C PHE A 66 5.920 2.915 -3.085 1.00 0.00 C ATOM 1039 O PHE A 66 6.077 3.196 -1.912 1.00 0.00 O ATOM 1040 CB PHE A 66 5.400 0.476 -2.829 1.00 0.00 C ATOM 1041 CG PHE A 66 4.884 0.421 -1.412 1.00 0.00 C ATOM 1042 CD1 PHE A 66 3.584 -0.033 -1.170 1.00 0.00 C ATOM 1043 CD2 PHE A 66 5.695 0.829 -0.345 1.00 0.00 C ATOM 1044 CE1 PHE A 66 3.089 -0.077 0.135 1.00 0.00 C ATOM 1045 CE2 PHE A 66 5.199 0.780 0.962 1.00 0.00 C ATOM 1046 CZ PHE A 66 3.893 0.330 1.200 1.00 0.00 C ATOM 0 H PHE A 66 5.582 0.707 -5.245 1.00 0.00 H new ATOM 0 HA PHE A 66 3.958 2.052 -3.237 1.00 0.00 H new ATOM 0 HB2 PHE A 66 5.020 -0.376 -3.392 1.00 0.00 H new ATOM 0 HB3 PHE A 66 6.487 0.398 -2.828 1.00 0.00 H new ATOM 0 HD1 PHE A 66 2.962 -0.350 -1.994 1.00 0.00 H new ATOM 0 HD2 PHE A 66 6.699 1.180 -0.531 1.00 0.00 H new ATOM 0 HE1 PHE A 66 2.084 -0.426 0.320 1.00 0.00 H new ATOM 0 HE2 PHE A 66 5.822 1.089 1.788 1.00 0.00 H new ATOM 0 HZ PHE A 66 3.509 0.298 2.209 1.00 0.00 H new ATOM 1056 N GLN A 67 6.550 3.566 -4.028 1.00 0.00 N ATOM 1057 CA GLN A 67 7.491 4.685 -3.688 1.00 0.00 C ATOM 1058 C GLN A 67 6.707 5.954 -3.449 1.00 0.00 C ATOM 1059 O GLN A 67 7.116 6.823 -2.716 1.00 0.00 O ATOM 1060 CB GLN A 67 8.479 4.919 -4.826 1.00 0.00 C ATOM 1061 CG GLN A 67 9.159 3.606 -5.191 1.00 0.00 C ATOM 1062 CD GLN A 67 10.346 3.343 -4.243 1.00 0.00 C ATOM 1063 OE1 GLN A 67 11.321 4.067 -4.276 1.00 0.00 O ATOM 1064 NE2 GLN A 67 10.319 2.334 -3.394 1.00 0.00 N ATOM 0 H GLN A 67 6.455 3.373 -5.025 1.00 0.00 H new ATOM 0 HA GLN A 67 8.041 4.411 -2.788 1.00 0.00 H new ATOM 0 HB2 GLN A 67 7.960 5.325 -5.694 1.00 0.00 H new ATOM 0 HB3 GLN A 67 9.225 5.656 -4.528 1.00 0.00 H new ATOM 0 HG2 GLN A 67 8.443 2.786 -5.126 1.00 0.00 H new ATOM 0 HG3 GLN A 67 9.509 3.643 -6.223 1.00 0.00 H new ATOM 0 HE21 GLN A 67 9.506 1.720 -3.358 1.00 0.00 H new ATOM 0 HE22 GLN A 67 11.112 2.168 -2.774 1.00 0.00 H new ATOM 1073 N VAL A 68 5.586 6.066 -4.066 1.00 0.00 N ATOM 1074 CA VAL A 68 4.759 7.281 -3.864 1.00 0.00 C ATOM 1075 C VAL A 68 4.360 7.346 -2.387 1.00 0.00 C ATOM 1076 O VAL A 68 4.293 8.400 -1.787 1.00 0.00 O ATOM 1077 CB VAL A 68 3.515 7.199 -4.739 1.00 0.00 C ATOM 1078 CG1 VAL A 68 2.781 8.534 -4.677 1.00 0.00 C ATOM 1079 CG2 VAL A 68 3.933 6.904 -6.183 1.00 0.00 C ATOM 0 H VAL A 68 5.197 5.373 -4.705 1.00 0.00 H new ATOM 0 HA VAL A 68 5.319 8.175 -4.137 1.00 0.00 H new ATOM 0 HB VAL A 68 2.859 6.404 -4.386 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.888 8.487 -5.300 1.00 0.00 H new ATOM 0 HG12 VAL A 68 2.494 8.744 -3.647 1.00 0.00 H new ATOM 0 HG13 VAL A 68 3.436 9.326 -5.040 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.046 6.844 -6.814 1.00 0.00 H new ATOM 0 HG22 VAL A 68 4.582 7.702 -6.544 1.00 0.00 H new ATOM 0 HG23 VAL A 68 4.469 5.956 -6.220 1.00 0.00 H new ATOM 1089 N LEU A 69 4.127 6.206 -1.801 1.00 0.00 N ATOM 1090 CA LEU A 69 3.759 6.126 -0.354 1.00 0.00 C ATOM 1091 C LEU A 69 4.927 6.611 0.482 1.00 0.00 C ATOM 1092 O LEU A 69 4.795 6.891 1.650 1.00 0.00 O ATOM 1093 CB LEU A 69 3.573 4.651 -0.002 1.00 0.00 C ATOM 1094 CG LEU A 69 2.377 4.397 0.932 1.00 0.00 C ATOM 1095 CD1 LEU A 69 2.805 3.363 1.970 1.00 0.00 C ATOM 1096 CD2 LEU A 69 1.963 5.670 1.664 1.00 0.00 C ATOM 0 H LEU A 69 4.177 5.303 -2.273 1.00 0.00 H new ATOM 0 HA LEU A 69 2.863 6.719 -0.168 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.437 4.079 -0.920 1.00 0.00 H new ATOM 0 HB3 LEU A 69 4.481 4.280 0.472 1.00 0.00 H new ATOM 0 HG LEU A 69 1.531 4.051 0.338 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.975 3.163 2.648 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.094 2.440 1.467 1.00 0.00 H new ATOM 0 HD13 LEU A 69 3.652 3.747 2.538 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.116 5.456 2.315 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.798 6.033 2.263 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.679 6.431 0.938 1.00 0.00 H new ATOM 1108 N VAL A 70 6.083 6.644 -0.095 1.00 0.00 N ATOM 1109 CA VAL A 70 7.274 7.051 0.679 1.00 0.00 C ATOM 1110 C VAL A 70 7.039 8.433 1.299 1.00 0.00 C ATOM 1111 O VAL A 70 7.446 8.696 2.405 1.00 0.00 O ATOM 1112 CB VAL A 70 8.499 7.100 -0.244 1.00 0.00 C ATOM 1113 CG1 VAL A 70 8.410 8.331 -1.147 1.00 0.00 C ATOM 1114 CG2 VAL A 70 9.779 7.192 0.588 1.00 0.00 C ATOM 0 H VAL A 70 6.256 6.406 -1.072 1.00 0.00 H new ATOM 0 HA VAL A 70 7.452 6.326 1.473 1.00 0.00 H new ATOM 0 HB VAL A 70 8.520 6.193 -0.848 1.00 0.00 H new ATOM 0 HG11 VAL A 70 9.280 8.365 -1.802 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.504 8.275 -1.750 1.00 0.00 H new ATOM 0 HG13 VAL A 70 8.382 9.231 -0.533 1.00 0.00 H new ATOM 0 HG21 VAL A 70 10.643 7.226 -0.076 1.00 0.00 H new ATOM 0 HG22 VAL A 70 9.753 8.096 1.197 1.00 0.00 H new ATOM 0 HG23 VAL A 70 9.855 6.320 1.237 1.00 0.00 H new ATOM 1124 N LYS A 71 6.381 9.315 0.596 1.00 0.00 N ATOM 1125 CA LYS A 71 6.125 10.676 1.160 1.00 0.00 C ATOM 1126 C LYS A 71 4.859 10.643 2.020 1.00 0.00 C ATOM 1127 O LYS A 71 4.202 11.646 2.219 1.00 0.00 O ATOM 1128 CB LYS A 71 5.935 11.675 0.016 1.00 0.00 C ATOM 1129 CG LYS A 71 4.763 11.227 -0.859 1.00 0.00 C ATOM 1130 CD LYS A 71 4.431 12.324 -1.872 1.00 0.00 C ATOM 1131 CE LYS A 71 2.919 12.563 -1.887 1.00 0.00 C ATOM 1132 NZ LYS A 71 2.640 13.947 -2.361 1.00 0.00 N ATOM 0 H LYS A 71 6.010 9.155 -0.341 1.00 0.00 H new ATOM 0 HA LYS A 71 6.974 10.980 1.773 1.00 0.00 H new ATOM 0 HB2 LYS A 71 5.745 12.671 0.416 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.845 11.739 -0.581 1.00 0.00 H new ATOM 0 HG2 LYS A 71 5.016 10.303 -1.378 1.00 0.00 H new ATOM 0 HG3 LYS A 71 3.892 11.016 -0.238 1.00 0.00 H new ATOM 0 HD2 LYS A 71 4.953 13.245 -1.611 1.00 0.00 H new ATOM 0 HD3 LYS A 71 4.774 12.033 -2.865 1.00 0.00 H new ATOM 0 HE2 LYS A 71 2.432 11.838 -2.540 1.00 0.00 H new ATOM 0 HE3 LYS A 71 2.507 12.419 -0.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 1.613 14.110 -2.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 3.093 14.631 -1.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 3.019 14.068 -3.322 1.00 0.00 H new ATOM 1146 N LYS A 72 4.506 9.492 2.517 1.00 0.00 N ATOM 1147 CA LYS A 72 3.299 9.361 3.338 1.00 0.00 C ATOM 1148 C LYS A 72 3.676 8.881 4.742 1.00 0.00 C ATOM 1149 O LYS A 72 2.821 8.622 5.567 1.00 0.00 O ATOM 1150 CB LYS A 72 2.412 8.316 2.690 1.00 0.00 C ATOM 1151 CG LYS A 72 0.978 8.800 2.670 1.00 0.00 C ATOM 1152 CD LYS A 72 0.904 10.216 2.098 1.00 0.00 C ATOM 1153 CE LYS A 72 -0.502 10.476 1.555 1.00 0.00 C ATOM 1154 NZ LYS A 72 -1.499 9.762 2.403 1.00 0.00 N ATOM 0 H LYS A 72 5.023 8.624 2.378 1.00 0.00 H new ATOM 0 HA LYS A 72 2.789 10.322 3.412 1.00 0.00 H new ATOM 0 HB2 LYS A 72 2.752 8.117 1.674 1.00 0.00 H new ATOM 0 HB3 LYS A 72 2.481 7.377 3.239 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.368 8.125 2.069 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.568 8.787 3.680 1.00 0.00 H new ATOM 0 HD2 LYS A 72 1.147 10.945 2.871 1.00 0.00 H new ATOM 0 HD3 LYS A 72 1.640 10.337 1.303 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -0.711 11.546 1.552 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -0.574 10.134 0.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -2.435 10.198 2.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -1.542 8.762 2.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -1.216 9.828 3.402 1.00 0.00 H new ATOM 1168 N ILE A 73 4.944 8.715 5.010 1.00 0.00 N ATOM 1169 CA ILE A 73 5.352 8.199 6.352 1.00 0.00 C ATOM 1170 C ILE A 73 6.078 9.217 7.175 1.00 0.00 C ATOM 1171 O ILE A 73 5.815 9.397 8.348 1.00 0.00 O ATOM 1172 CB ILE A 73 6.397 7.100 6.208 1.00 0.00 C ATOM 1173 CG1 ILE A 73 6.355 6.492 4.827 1.00 0.00 C ATOM 1174 CG2 ILE A 73 6.189 6.059 7.281 1.00 0.00 C ATOM 1175 CD1 ILE A 73 5.033 5.754 4.613 1.00 0.00 C ATOM 0 H ILE A 73 5.710 8.912 4.365 1.00 0.00 H new ATOM 0 HA ILE A 73 4.416 7.882 6.813 1.00 0.00 H new ATOM 0 HB ILE A 73 7.389 7.532 6.336 1.00 0.00 H new ATOM 0 HG12 ILE A 73 6.470 7.272 4.075 1.00 0.00 H new ATOM 0 HG13 ILE A 73 7.189 5.802 4.700 1.00 0.00 H new ATOM 0 HG21 ILE A 73 6.938 5.274 7.176 1.00 0.00 H new ATOM 0 HG22 ILE A 73 6.286 6.524 8.262 1.00 0.00 H new ATOM 0 HG23 ILE A 73 5.193 5.627 7.181 1.00 0.00 H new ATOM 0 HD11 ILE A 73 5.016 5.320 3.613 1.00 0.00 H new ATOM 0 HD12 ILE A 73 4.935 4.961 5.354 1.00 0.00 H new ATOM 0 HD13 ILE A 73 4.204 6.454 4.719 1.00 0.00 H new ATOM 1187 N SER A 74 7.100 9.754 6.601 1.00 0.00 N ATOM 1188 CA SER A 74 7.984 10.619 7.371 1.00 0.00 C ATOM 1189 C SER A 74 7.192 11.504 8.339 1.00 0.00 C ATOM 1190 O SER A 74 7.646 11.813 9.423 1.00 0.00 O ATOM 1191 CB SER A 74 8.828 11.483 6.436 1.00 0.00 C ATOM 1192 OG SER A 74 10.035 11.844 7.093 1.00 0.00 O ATOM 0 H SER A 74 7.357 9.625 5.622 1.00 0.00 H new ATOM 0 HA SER A 74 8.645 9.983 7.960 1.00 0.00 H new ATOM 0 HB2 SER A 74 9.049 10.938 5.518 1.00 0.00 H new ATOM 0 HB3 SER A 74 8.275 12.377 6.150 1.00 0.00 H new ATOM 0 HG SER A 74 10.580 12.397 6.495 1.00 0.00 H new ATOM 1198 N GLN A 75 6.011 11.910 7.961 1.00 0.00 N ATOM 1199 CA GLN A 75 5.197 12.770 8.867 1.00 0.00 C ATOM 1200 C GLN A 75 3.876 12.063 9.182 1.00 0.00 C ATOM 1201 O GLN A 75 2.968 12.159 8.375 1.00 0.00 O ATOM 1202 CB GLN A 75 4.912 14.111 8.184 1.00 0.00 C ATOM 1203 CG GLN A 75 4.541 15.151 9.244 1.00 0.00 C ATOM 1204 CD GLN A 75 5.174 16.498 8.888 1.00 0.00 C ATOM 1205 OE1 GLN A 75 6.376 16.657 8.964 1.00 0.00 O ATOM 1206 NE2 GLN A 75 4.411 17.485 8.504 1.00 0.00 N ATOM 1207 OXT GLN A 75 3.799 11.435 10.225 1.00 0.00 O ATOM 0 H GLN A 75 5.575 11.684 7.067 1.00 0.00 H new ATOM 0 HA GLN A 75 5.746 12.948 9.792 1.00 0.00 H new ATOM 0 HB2 GLN A 75 5.788 14.441 7.626 1.00 0.00 H new ATOM 0 HB3 GLN A 75 4.099 14.001 7.466 1.00 0.00 H new ATOM 0 HG2 GLN A 75 3.457 15.252 9.305 1.00 0.00 H new ATOM 0 HG3 GLN A 75 4.886 14.824 10.225 1.00 0.00 H new ATOM 0 HE21 GLN A 75 3.402 17.354 8.439 1.00 0.00 H new ATOM 0 HE22 GLN A 75 4.824 18.387 8.269 1.00 0.00 H new