USER MOD reduce.3.24.130724 H: found=0, std=0, add=900, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 901 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 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 110 GLN : amide:sc= -0.101 X(o=-0.1,f=-0.0096) USER MOD Set 2.1: A 56 ASN : amide:sc= 0 X(o=-0.06,f=-0.46) USER MOD Set 2.2: A 62 TYR OH : rot -23:sc= -0.0596 USER MOD Set 3.1: A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 48 MET CE :methyl 151:sc= -1.34 (180deg=-2) USER MOD Set 4.1: A 20 GLN : amide:sc= -0.965 K(o=-1.9,f=2.3) USER MOD Set 4.2: A 29 SER OG : rot 180:sc= -0.933 USER MOD Set 5.1: A 18 GLN : amide:sc= -2.11 K(o=-4,f=-1.2) USER MOD Set 5.2: A 106 GLN : amide:sc= -1.92 K(o=-4,f=-1.2) USER MOD Single : A 6 SER OG : rot 30:sc= 0.265 USER MOD Single : A 15 THR OG1 : rot 61:sc= 1.18 USER MOD Single : A 22 LYS NZ :NH3+ -160:sc= 0.00127 (180deg=-0.181) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.673 K(o=-0.67,f=-1.8) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= -1.16 K(o=-1.2,f=-0.42) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 139:sc= 0.0335 USER MOD Single : A 53 MET CE :methyl -128:sc= -1.01 (180deg=-5.87!) USER MOD Single : A 54 LYS NZ :NH3+ -164:sc= -0.113 (180deg=-0.477) USER MOD Single : A 55 GLN : amide:sc= -1.17 K(o=-1.2,f=-0.37) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.563 K(o=-0.56,f=-0.053) USER MOD Single : A 73 ASN : amide:sc= -0.849 X(o=-0.85,f=-0.9) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -2.02! C(o=-2!,f=-4!) USER MOD Single : A 79 CYS SG : rot -157:sc= -1.49 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 TYR OH : rot 33:sc= -0.129 USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 LYS NZ :NH3+ -154:sc= -0.528 (180deg=-1.53!) USER MOD Single : A 87 THR OG1 : rot -63:sc= -1.13 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= -0.218 K(o=-0.22,f=-3.8!) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 MET CE :methyl 156:sc= 0 (180deg=-0.604) USER MOD ----------------------------------------------------------------- ATOM 48 N SER A 6 -0.449 20.467 2.383 1.00 0.00 N ATOM 49 CA SER A 6 -0.112 19.546 3.462 1.00 0.00 C ATOM 50 C SER A 6 -1.271 18.595 3.747 1.00 0.00 C ATOM 51 O SER A 6 -1.071 17.400 3.961 1.00 0.00 O ATOM 52 CB SER A 6 0.248 20.322 4.731 1.00 0.00 C ATOM 53 OG SER A 6 1.130 21.392 4.440 1.00 0.00 O ATOM 0 HA SER A 6 0.750 18.958 3.147 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.659 20.710 5.194 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.712 19.650 5.453 1.00 0.00 H new ATOM 0 HG SER A 6 0.968 21.711 3.528 1.00 0.00 H new ATOM 59 N GLY A 7 -2.486 19.136 3.747 1.00 0.00 N ATOM 60 CA GLY A 7 -3.660 18.322 4.005 1.00 0.00 C ATOM 61 C GLY A 7 -3.585 16.966 3.332 1.00 0.00 C ATOM 62 O GLY A 7 -3.685 15.932 3.991 1.00 0.00 O ATOM 0 H GLY A 7 -2.678 20.123 3.573 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.774 18.185 5.080 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.548 18.849 3.655 1.00 0.00 H new ATOM 66 N PHE A 8 -3.412 16.970 2.014 1.00 0.00 N ATOM 67 CA PHE A 8 -3.327 15.730 1.251 1.00 0.00 C ATOM 68 C PHE A 8 -2.382 14.741 1.924 1.00 0.00 C ATOM 69 O PHE A 8 -2.696 13.557 2.059 1.00 0.00 O ATOM 70 CB PHE A 8 -2.853 16.016 -0.176 1.00 0.00 C ATOM 71 CG PHE A 8 -2.526 14.777 -0.958 1.00 0.00 C ATOM 72 CD1 PHE A 8 -3.537 13.959 -1.438 1.00 0.00 C ATOM 73 CD2 PHE A 8 -1.210 14.431 -1.216 1.00 0.00 C ATOM 74 CE1 PHE A 8 -3.239 12.817 -2.158 1.00 0.00 C ATOM 75 CE2 PHE A 8 -0.906 13.291 -1.936 1.00 0.00 C ATOM 76 CZ PHE A 8 -1.922 12.484 -2.408 1.00 0.00 C ATOM 0 H PHE A 8 -3.328 17.817 1.453 1.00 0.00 H new ATOM 0 HA PHE A 8 -4.322 15.287 1.214 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -3.627 16.575 -0.702 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -1.970 16.654 -0.136 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -4.568 14.217 -1.247 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -0.412 15.060 -0.850 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -4.035 12.186 -2.525 1.00 0.00 H new ATOM 0 HE2 PHE A 8 0.125 13.032 -2.129 1.00 0.00 H new ATOM 0 HZ PHE A 8 -1.687 11.593 -2.972 1.00 0.00 H new ATOM 86 N LEU A 9 -1.221 15.232 2.345 1.00 0.00 N ATOM 87 CA LEU A 9 -0.228 14.392 3.004 1.00 0.00 C ATOM 88 C LEU A 9 -0.850 13.621 4.163 1.00 0.00 C ATOM 89 O LEU A 9 -0.761 12.394 4.225 1.00 0.00 O ATOM 90 CB LEU A 9 0.936 15.246 3.511 1.00 0.00 C ATOM 91 CG LEU A 9 1.536 16.228 2.503 1.00 0.00 C ATOM 92 CD1 LEU A 9 2.786 16.880 3.074 1.00 0.00 C ATOM 93 CD2 LEU A 9 1.852 15.522 1.193 1.00 0.00 C ATOM 0 H LEU A 9 -0.945 16.208 2.241 1.00 0.00 H new ATOM 0 HA LEU A 9 0.147 13.675 2.274 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.596 15.810 4.379 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.727 14.579 3.854 1.00 0.00 H new ATOM 0 HG LEU A 9 0.802 17.008 2.303 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.200 17.575 2.344 1.00 0.00 H new ATOM 0 HD12 LEU A 9 2.531 17.420 3.985 1.00 0.00 H new ATOM 0 HD13 LEU A 9 3.525 16.112 3.303 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.278 16.236 0.488 1.00 0.00 H new ATOM 0 HD22 LEU A 9 2.568 14.721 1.375 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.937 15.103 0.776 1.00 0.00 H new ATOM 105 N ILE A 10 -1.481 14.348 5.080 1.00 0.00 N ATOM 106 CA ILE A 10 -2.121 13.731 6.235 1.00 0.00 C ATOM 107 C ILE A 10 -3.097 12.642 5.806 1.00 0.00 C ATOM 108 O ILE A 10 -2.986 11.490 6.230 1.00 0.00 O ATOM 109 CB ILE A 10 -2.871 14.772 7.086 1.00 0.00 C ATOM 110 CG1 ILE A 10 -1.888 15.785 7.676 1.00 0.00 C ATOM 111 CG2 ILE A 10 -3.661 14.085 8.190 1.00 0.00 C ATOM 112 CD1 ILE A 10 -1.607 16.958 6.763 1.00 0.00 C ATOM 0 H ILE A 10 -1.562 15.364 5.045 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.327 13.287 6.836 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.572 15.307 6.445 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -2.286 16.157 8.620 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -0.950 15.279 7.903 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -4.185 14.835 8.783 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -4.385 13.401 7.748 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -2.979 13.527 8.832 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -0.902 17.635 7.246 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -1.180 16.597 5.828 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -2.536 17.489 6.556 1.00 0.00 H new ATOM 124 N LEU A 11 -4.054 13.011 4.962 1.00 0.00 N ATOM 125 CA LEU A 11 -5.051 12.065 4.473 1.00 0.00 C ATOM 126 C LEU A 11 -4.408 10.725 4.132 1.00 0.00 C ATOM 127 O LEU A 11 -4.969 9.665 4.417 1.00 0.00 O ATOM 128 CB LEU A 11 -5.759 12.632 3.241 1.00 0.00 C ATOM 129 CG LEU A 11 -6.620 11.646 2.449 1.00 0.00 C ATOM 130 CD1 LEU A 11 -7.921 11.364 3.183 1.00 0.00 C ATOM 131 CD2 LEU A 11 -6.899 12.184 1.054 1.00 0.00 C ATOM 0 H LEU A 11 -4.161 13.959 4.602 1.00 0.00 H new ATOM 0 HA LEU A 11 -5.784 11.905 5.264 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.391 13.461 3.559 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.005 13.045 2.571 1.00 0.00 H new ATOM 0 HG LEU A 11 -6.071 10.709 2.353 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -8.520 10.661 2.604 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.702 10.935 4.161 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -8.476 12.294 3.311 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -7.513 11.470 0.505 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -7.428 13.134 1.130 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -5.957 12.334 0.527 1.00 0.00 H new ATOM 143 N LEU A 12 -3.228 10.778 3.524 1.00 0.00 N ATOM 144 CA LEU A 12 -2.507 9.567 3.147 1.00 0.00 C ATOM 145 C LEU A 12 -2.008 8.824 4.381 1.00 0.00 C ATOM 146 O LEU A 12 -2.142 7.603 4.479 1.00 0.00 O ATOM 147 CB LEU A 12 -1.328 9.915 2.236 1.00 0.00 C ATOM 148 CG LEU A 12 -1.677 10.631 0.931 1.00 0.00 C ATOM 149 CD1 LEU A 12 -0.415 11.101 0.226 1.00 0.00 C ATOM 150 CD2 LEU A 12 -2.489 9.718 0.023 1.00 0.00 C ATOM 0 H LEU A 12 -2.750 11.646 3.282 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.196 8.917 2.608 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.634 10.542 2.797 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.799 8.994 1.991 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.282 11.506 1.169 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.683 11.608 -0.701 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.128 11.790 0.873 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.217 10.242 -0.000 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.729 10.244 -0.901 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.909 8.825 -0.208 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.412 9.431 0.527 1.00 0.00 H new ATOM 162 N ARG A 13 -1.435 9.567 5.322 1.00 0.00 N ATOM 163 CA ARG A 13 -0.918 8.978 6.552 1.00 0.00 C ATOM 164 C ARG A 13 -2.019 8.241 7.308 1.00 0.00 C ATOM 165 O ARG A 13 -1.808 7.142 7.820 1.00 0.00 O ATOM 166 CB ARG A 13 -0.307 10.060 7.444 1.00 0.00 C ATOM 167 CG ARG A 13 0.703 10.941 6.728 1.00 0.00 C ATOM 168 CD ARG A 13 1.556 11.724 7.713 1.00 0.00 C ATOM 169 NE ARG A 13 0.772 12.707 8.456 1.00 0.00 N ATOM 170 CZ ARG A 13 1.299 13.562 9.326 1.00 0.00 C ATOM 171 NH1 ARG A 13 2.603 13.555 9.560 1.00 0.00 N ATOM 172 NH2 ARG A 13 0.519 14.428 9.962 1.00 0.00 N ATOM 0 H ARG A 13 -1.317 10.578 5.256 1.00 0.00 H new ATOM 0 HA ARG A 13 -0.144 8.260 6.283 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -1.106 10.686 7.840 1.00 0.00 H new ATOM 0 HB3 ARG A 13 0.178 9.585 8.297 1.00 0.00 H new ATOM 0 HG2 ARG A 13 1.345 10.324 6.100 1.00 0.00 H new ATOM 0 HG3 ARG A 13 0.180 11.633 6.067 1.00 0.00 H new ATOM 0 HD2 ARG A 13 2.028 11.034 8.412 1.00 0.00 H new ATOM 0 HD3 ARG A 13 2.357 12.231 7.175 1.00 0.00 H new ATOM 0 HE ARG A 13 -0.235 12.739 8.298 1.00 0.00 H new ATOM 0 HH11 ARG A 13 3.205 12.892 9.072 1.00 0.00 H new ATOM 0 HH12 ARG A 13 3.005 14.213 10.228 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -0.485 14.437 9.783 1.00 0.00 H new ATOM 0 HH22 ARG A 13 0.924 15.084 10.630 1.00 0.00 H new ATOM 186 N LYS A 14 -3.196 8.854 7.374 1.00 0.00 N ATOM 187 CA LYS A 14 -4.333 8.258 8.066 1.00 0.00 C ATOM 188 C LYS A 14 -4.897 7.083 7.273 1.00 0.00 C ATOM 189 O LYS A 14 -5.293 6.068 7.847 1.00 0.00 O ATOM 190 CB LYS A 14 -5.424 9.305 8.292 1.00 0.00 C ATOM 191 CG LYS A 14 -6.775 8.710 8.650 1.00 0.00 C ATOM 192 CD LYS A 14 -7.600 8.414 7.409 1.00 0.00 C ATOM 193 CE LYS A 14 -8.366 9.642 6.943 1.00 0.00 C ATOM 194 NZ LYS A 14 -9.654 9.802 7.674 1.00 0.00 N ATOM 0 H LYS A 14 -3.388 9.765 6.956 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.987 7.889 9.031 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -5.110 9.978 9.090 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -5.530 9.908 7.390 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -6.630 7.792 9.219 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -7.319 9.401 9.293 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -6.945 8.067 6.610 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -8.300 7.606 7.620 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -7.752 10.531 7.090 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -8.562 9.564 5.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -10.147 10.650 7.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -10.251 8.965 7.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -9.465 9.902 8.692 1.00 0.00 H new ATOM 208 N THR A 15 -4.929 7.226 5.952 1.00 0.00 N ATOM 209 CA THR A 15 -5.444 6.177 5.083 1.00 0.00 C ATOM 210 C THR A 15 -4.530 4.957 5.091 1.00 0.00 C ATOM 211 O THR A 15 -4.995 3.819 5.010 1.00 0.00 O ATOM 212 CB THR A 15 -5.602 6.676 3.633 1.00 0.00 C ATOM 213 OG1 THR A 15 -6.480 7.806 3.597 1.00 0.00 O ATOM 214 CG2 THR A 15 -6.148 5.574 2.738 1.00 0.00 C ATOM 0 H THR A 15 -4.604 8.059 5.461 1.00 0.00 H new ATOM 0 HA THR A 15 -6.423 5.897 5.473 1.00 0.00 H new ATOM 0 HB THR A 15 -4.619 6.968 3.263 1.00 0.00 H new ATOM 0 HG1 THR A 15 -6.105 8.529 4.141 1.00 0.00 H new ATOM 0 HG21 THR A 15 -6.251 5.950 1.720 1.00 0.00 H new ATOM 0 HG22 THR A 15 -5.462 4.727 2.745 1.00 0.00 H new ATOM 0 HG23 THR A 15 -7.123 5.255 3.107 1.00 0.00 H new ATOM 222 N LEU A 16 -3.227 5.200 5.190 1.00 0.00 N ATOM 223 CA LEU A 16 -2.247 4.121 5.210 1.00 0.00 C ATOM 224 C LEU A 16 -2.459 3.215 6.419 1.00 0.00 C ATOM 225 O LEU A 16 -2.336 1.994 6.321 1.00 0.00 O ATOM 226 CB LEU A 16 -0.829 4.694 5.231 1.00 0.00 C ATOM 227 CG LEU A 16 0.294 3.698 5.523 1.00 0.00 C ATOM 228 CD1 LEU A 16 0.374 2.646 4.427 1.00 0.00 C ATOM 229 CD2 LEU A 16 1.624 4.421 5.670 1.00 0.00 C ATOM 0 H LEU A 16 -2.826 6.135 5.258 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.379 3.527 4.306 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.633 5.159 4.265 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.790 5.485 5.980 1.00 0.00 H new ATOM 0 HG LEU A 16 0.071 3.195 6.464 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.179 1.946 4.652 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.571 2.106 4.371 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.572 3.131 3.471 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.411 3.696 5.877 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.854 4.952 4.746 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.562 5.134 6.492 1.00 0.00 H new ATOM 241 N GLU A 17 -2.781 3.822 7.557 1.00 0.00 N ATOM 242 CA GLU A 17 -3.011 3.069 8.785 1.00 0.00 C ATOM 243 C GLU A 17 -4.244 2.179 8.653 1.00 0.00 C ATOM 244 O GLU A 17 -4.222 1.010 9.037 1.00 0.00 O ATOM 245 CB GLU A 17 -3.181 4.022 9.970 1.00 0.00 C ATOM 246 CG GLU A 17 -1.937 4.836 10.279 1.00 0.00 C ATOM 247 CD GLU A 17 -1.937 5.391 11.690 1.00 0.00 C ATOM 248 OE1 GLU A 17 -2.546 6.460 11.908 1.00 0.00 O ATOM 249 OE2 GLU A 17 -1.329 4.756 12.577 1.00 0.00 O ATOM 0 H GLU A 17 -2.888 4.832 7.654 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.142 2.435 8.961 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.008 4.702 9.763 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.456 3.445 10.853 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.055 4.211 10.139 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.861 5.659 9.569 1.00 0.00 H new ATOM 256 N GLN A 18 -5.318 2.742 8.109 1.00 0.00 N ATOM 257 CA GLN A 18 -6.560 2.000 7.929 1.00 0.00 C ATOM 258 C GLN A 18 -6.313 0.703 7.166 1.00 0.00 C ATOM 259 O GLN A 18 -6.950 -0.318 7.435 1.00 0.00 O ATOM 260 CB GLN A 18 -7.586 2.856 7.182 1.00 0.00 C ATOM 261 CG GLN A 18 -8.066 4.060 7.977 1.00 0.00 C ATOM 262 CD GLN A 18 -9.411 4.573 7.502 1.00 0.00 C ATOM 263 OE1 GLN A 18 -10.454 4.214 8.050 1.00 0.00 O ATOM 264 NE2 GLN A 18 -9.395 5.419 6.479 1.00 0.00 N ATOM 0 H GLN A 18 -5.353 3.709 7.786 1.00 0.00 H new ATOM 0 HA GLN A 18 -6.952 1.752 8.915 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -7.147 3.201 6.246 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -8.444 2.236 6.923 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -8.135 3.791 9.031 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -7.329 4.859 7.900 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -8.508 5.690 6.055 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -10.270 5.798 6.117 1.00 0.00 H new ATOM 273 N LEU A 19 -5.386 0.747 6.216 1.00 0.00 N ATOM 274 CA LEU A 19 -5.055 -0.426 5.414 1.00 0.00 C ATOM 275 C LEU A 19 -4.379 -1.494 6.266 1.00 0.00 C ATOM 276 O LEU A 19 -4.638 -2.687 6.105 1.00 0.00 O ATOM 277 CB LEU A 19 -4.143 -0.032 4.251 1.00 0.00 C ATOM 278 CG LEU A 19 -4.747 0.922 3.219 1.00 0.00 C ATOM 279 CD1 LEU A 19 -3.654 1.534 2.355 1.00 0.00 C ATOM 280 CD2 LEU A 19 -5.768 0.196 2.355 1.00 0.00 C ATOM 0 H LEU A 19 -4.850 1.582 5.982 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.983 -0.838 5.017 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.244 0.429 4.660 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.830 -0.941 3.737 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.256 1.726 3.750 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.102 2.210 1.626 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.959 2.089 2.986 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.117 0.742 1.833 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.187 0.890 1.627 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.282 -0.628 1.833 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.567 -0.194 2.986 1.00 0.00 H new ATOM 292 N GLN A 20 -3.511 -1.058 7.174 1.00 0.00 N ATOM 293 CA GLN A 20 -2.797 -1.978 8.053 1.00 0.00 C ATOM 294 C GLN A 20 -3.773 -2.787 8.900 1.00 0.00 C ATOM 295 O GLN A 20 -3.623 -3.999 9.049 1.00 0.00 O ATOM 296 CB GLN A 20 -1.834 -1.208 8.958 1.00 0.00 C ATOM 297 CG GLN A 20 -0.594 -0.705 8.238 1.00 0.00 C ATOM 298 CD GLN A 20 0.614 -0.617 9.149 1.00 0.00 C ATOM 299 OE1 GLN A 20 0.911 0.441 9.705 1.00 0.00 O ATOM 300 NE2 GLN A 20 1.319 -1.732 9.307 1.00 0.00 N ATOM 0 H GLN A 20 -3.285 -0.074 7.320 1.00 0.00 H new ATOM 0 HA GLN A 20 -2.226 -2.667 7.431 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -2.360 -0.359 9.395 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -1.529 -1.853 9.782 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -0.368 -1.370 7.404 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -0.798 0.279 7.815 1.00 0.00 H new ATOM 0 HE21 GLN A 20 1.036 -2.586 8.827 1.00 0.00 H new ATOM 0 HE22 GLN A 20 2.143 -1.734 9.909 1.00 0.00 H new ATOM 309 N GLU A 21 -4.774 -2.108 9.454 1.00 0.00 N ATOM 310 CA GLU A 21 -5.773 -2.766 10.287 1.00 0.00 C ATOM 311 C GLU A 21 -6.195 -4.100 9.681 1.00 0.00 C ATOM 312 O GLU A 21 -6.281 -5.112 10.377 1.00 0.00 O ATOM 313 CB GLU A 21 -6.997 -1.864 10.462 1.00 0.00 C ATOM 314 CG GLU A 21 -6.680 -0.528 11.115 1.00 0.00 C ATOM 315 CD GLU A 21 -7.913 0.156 11.673 1.00 0.00 C ATOM 316 OE1 GLU A 21 -8.300 -0.162 12.818 1.00 0.00 O ATOM 317 OE2 GLU A 21 -8.490 1.007 10.965 1.00 0.00 O ATOM 0 H GLU A 21 -4.914 -1.104 9.341 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.326 -2.955 11.263 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -7.448 -1.684 9.486 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -7.740 -2.386 11.065 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -5.960 -0.682 11.919 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -6.206 0.126 10.383 1.00 0.00 H new ATOM 324 N LYS A 22 -6.457 -4.096 8.378 1.00 0.00 N ATOM 325 CA LYS A 22 -6.869 -5.305 7.676 1.00 0.00 C ATOM 326 C LYS A 22 -5.875 -6.438 7.912 1.00 0.00 C ATOM 327 O LYS A 22 -6.266 -7.584 8.131 1.00 0.00 O ATOM 328 CB LYS A 22 -6.997 -5.029 6.176 1.00 0.00 C ATOM 329 CG LYS A 22 -7.890 -3.844 5.849 1.00 0.00 C ATOM 330 CD LYS A 22 -9.343 -4.130 6.188 1.00 0.00 C ATOM 331 CE LYS A 22 -10.131 -2.846 6.398 1.00 0.00 C ATOM 332 NZ LYS A 22 -9.758 -2.170 7.672 1.00 0.00 N ATOM 0 H LYS A 22 -6.391 -3.268 7.787 1.00 0.00 H new ATOM 0 HA LYS A 22 -7.839 -5.610 8.068 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -6.005 -4.850 5.762 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.392 -5.918 5.684 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -7.552 -2.969 6.403 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -7.803 -3.603 4.789 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -9.798 -4.710 5.385 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -9.394 -4.741 7.090 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -9.953 -2.170 5.562 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -11.198 -3.071 6.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -10.515 -1.515 7.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -9.624 -2.883 8.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -8.874 -1.640 7.538 1.00 0.00 H new ATOM 346 N ASP A 23 -4.589 -6.108 7.866 1.00 0.00 N ATOM 347 CA ASP A 23 -3.538 -7.097 8.078 1.00 0.00 C ATOM 348 C ASP A 23 -3.358 -7.388 9.564 1.00 0.00 C ATOM 349 O ASP A 23 -2.504 -6.796 10.225 1.00 0.00 O ATOM 350 CB ASP A 23 -2.219 -6.609 7.476 1.00 0.00 C ATOM 351 CG ASP A 23 -1.196 -7.720 7.346 1.00 0.00 C ATOM 352 OD1 ASP A 23 -1.605 -8.896 7.266 1.00 0.00 O ATOM 353 OD2 ASP A 23 0.014 -7.411 7.324 1.00 0.00 O ATOM 0 H ASP A 23 -4.249 -5.164 7.684 1.00 0.00 H new ATOM 0 HA ASP A 23 -3.835 -8.020 7.579 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -2.409 -6.177 6.493 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -1.810 -5.814 8.100 1.00 0.00 H new ATOM 358 N THR A 24 -4.167 -8.304 10.085 1.00 0.00 N ATOM 359 CA THR A 24 -4.098 -8.672 11.494 1.00 0.00 C ATOM 360 C THR A 24 -2.832 -9.466 11.794 1.00 0.00 C ATOM 361 O THR A 24 -2.323 -9.441 12.913 1.00 0.00 O ATOM 362 CB THR A 24 -5.324 -9.503 11.918 1.00 0.00 C ATOM 363 OG1 THR A 24 -5.320 -10.764 11.238 1.00 0.00 O ATOM 364 CG2 THR A 24 -6.615 -8.760 11.611 1.00 0.00 C ATOM 0 H THR A 24 -4.878 -8.805 9.553 1.00 0.00 H new ATOM 0 HA THR A 24 -4.084 -7.742 12.063 1.00 0.00 H new ATOM 0 HB THR A 24 -5.267 -9.670 12.994 1.00 0.00 H new ATOM 0 HG1 THR A 24 -6.101 -11.287 11.514 1.00 0.00 H new ATOM 0 HG21 THR A 24 -7.466 -9.367 11.919 1.00 0.00 H new ATOM 0 HG22 THR A 24 -6.628 -7.814 12.153 1.00 0.00 H new ATOM 0 HG23 THR A 24 -6.677 -8.565 10.540 1.00 0.00 H new ATOM 372 N GLY A 25 -2.327 -10.170 10.785 1.00 0.00 N ATOM 373 CA GLY A 25 -1.123 -10.962 10.961 1.00 0.00 C ATOM 374 C GLY A 25 0.139 -10.133 10.830 1.00 0.00 C ATOM 375 O GLY A 25 1.214 -10.558 11.250 1.00 0.00 O ATOM 0 H GLY A 25 -2.730 -10.206 9.849 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.143 -11.435 11.943 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -1.107 -11.763 10.221 1.00 0.00 H new ATOM 379 N ASN A 26 0.008 -8.946 10.246 1.00 0.00 N ATOM 380 CA ASN A 26 1.149 -8.056 10.059 1.00 0.00 C ATOM 381 C ASN A 26 2.196 -8.696 9.153 1.00 0.00 C ATOM 382 O ASN A 26 3.396 -8.492 9.333 1.00 0.00 O ATOM 383 CB ASN A 26 1.775 -7.706 11.411 1.00 0.00 C ATOM 384 CG ASN A 26 0.735 -7.512 12.497 1.00 0.00 C ATOM 385 OD1 ASN A 26 0.336 -8.465 13.167 1.00 0.00 O ATOM 386 ND2 ASN A 26 0.290 -6.275 12.677 1.00 0.00 N ATOM 0 H ASN A 26 -0.876 -8.578 9.894 1.00 0.00 H new ATOM 0 HA ASN A 26 0.792 -7.143 9.583 1.00 0.00 H new ATOM 0 HB2 ASN A 26 2.461 -8.499 11.707 1.00 0.00 H new ATOM 0 HB3 ASN A 26 2.365 -6.795 11.310 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -0.410 -6.084 13.394 1.00 0.00 H new ATOM 0 HD22 ASN A 26 0.648 -5.515 12.099 1.00 0.00 H new ATOM 393 N ILE A 27 1.731 -9.471 8.177 1.00 0.00 N ATOM 394 CA ILE A 27 2.627 -10.138 7.242 1.00 0.00 C ATOM 395 C ILE A 27 3.311 -9.133 6.323 1.00 0.00 C ATOM 396 O ILE A 27 4.481 -9.293 5.972 1.00 0.00 O ATOM 397 CB ILE A 27 1.874 -11.172 6.382 1.00 0.00 C ATOM 398 CG1 ILE A 27 1.080 -12.128 7.274 1.00 0.00 C ATOM 399 CG2 ILE A 27 2.850 -11.943 5.505 1.00 0.00 C ATOM 400 CD1 ILE A 27 0.419 -13.257 6.513 1.00 0.00 C ATOM 0 H ILE A 27 0.740 -9.651 8.015 1.00 0.00 H new ATOM 0 HA ILE A 27 3.380 -10.652 7.839 1.00 0.00 H new ATOM 0 HB ILE A 27 1.174 -10.644 5.735 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.747 -12.549 8.026 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.315 -11.564 7.807 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.303 -12.669 4.904 1.00 0.00 H new ATOM 0 HG22 ILE A 27 3.375 -11.249 4.848 1.00 0.00 H new ATOM 0 HG23 ILE A 27 3.572 -12.463 6.134 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.126 -13.895 7.209 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.274 -12.845 5.780 1.00 0.00 H new ATOM 0 HD13 ILE A 27 1.180 -13.846 6.002 1.00 0.00 H new ATOM 412 N PHE A 28 2.577 -8.094 5.938 1.00 0.00 N ATOM 413 CA PHE A 28 3.113 -7.060 5.061 1.00 0.00 C ATOM 414 C PHE A 28 3.541 -5.835 5.863 1.00 0.00 C ATOM 415 O PHE A 28 4.183 -4.927 5.334 1.00 0.00 O ATOM 416 CB PHE A 28 2.073 -6.661 4.013 1.00 0.00 C ATOM 417 CG PHE A 28 1.301 -7.825 3.460 1.00 0.00 C ATOM 418 CD1 PHE A 28 0.210 -8.336 4.145 1.00 0.00 C ATOM 419 CD2 PHE A 28 1.666 -8.408 2.257 1.00 0.00 C ATOM 420 CE1 PHE A 28 -0.503 -9.407 3.640 1.00 0.00 C ATOM 421 CE2 PHE A 28 0.957 -9.480 1.747 1.00 0.00 C ATOM 422 CZ PHE A 28 -0.129 -9.980 2.439 1.00 0.00 C ATOM 0 H PHE A 28 1.608 -7.946 6.220 1.00 0.00 H new ATOM 0 HA PHE A 28 3.990 -7.465 4.556 1.00 0.00 H new ATOM 0 HB2 PHE A 28 1.375 -5.951 4.457 1.00 0.00 H new ATOM 0 HB3 PHE A 28 2.574 -6.146 3.194 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -0.086 -7.892 5.084 1.00 0.00 H new ATOM 0 HD2 PHE A 28 2.514 -8.021 1.712 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -1.352 -9.796 4.183 1.00 0.00 H new ATOM 0 HE2 PHE A 28 1.252 -9.926 0.809 1.00 0.00 H new ATOM 0 HZ PHE A 28 -0.685 -10.817 2.042 1.00 0.00 H new ATOM 432 N SER A 29 3.178 -5.816 7.141 1.00 0.00 N ATOM 433 CA SER A 29 3.519 -4.700 8.016 1.00 0.00 C ATOM 434 C SER A 29 5.028 -4.475 8.048 1.00 0.00 C ATOM 435 O SER A 29 5.502 -3.439 8.512 1.00 0.00 O ATOM 436 CB SER A 29 3.000 -4.957 9.432 1.00 0.00 C ATOM 437 OG SER A 29 2.736 -3.740 10.108 1.00 0.00 O ATOM 0 H SER A 29 2.648 -6.560 7.594 1.00 0.00 H new ATOM 0 HA SER A 29 3.044 -3.802 7.620 1.00 0.00 H new ATOM 0 HB2 SER A 29 2.090 -5.556 9.386 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.734 -5.536 9.992 1.00 0.00 H new ATOM 0 HG SER A 29 2.404 -3.932 11.010 1.00 0.00 H new ATOM 443 N GLU A 30 5.775 -5.456 7.550 1.00 0.00 N ATOM 444 CA GLU A 30 7.231 -5.365 7.522 1.00 0.00 C ATOM 445 C GLU A 30 7.786 -5.931 6.218 1.00 0.00 C ATOM 446 O GLU A 30 7.192 -6.806 5.588 1.00 0.00 O ATOM 447 CB GLU A 30 7.834 -6.115 8.712 1.00 0.00 C ATOM 448 CG GLU A 30 7.132 -5.829 10.030 1.00 0.00 C ATOM 449 CD GLU A 30 8.009 -6.120 11.232 1.00 0.00 C ATOM 450 OE1 GLU A 30 9.110 -5.538 11.319 1.00 0.00 O ATOM 451 OE2 GLU A 30 7.593 -6.929 12.088 1.00 0.00 O ATOM 0 H GLU A 30 5.398 -6.320 7.162 1.00 0.00 H new ATOM 0 HA GLU A 30 7.505 -4.312 7.588 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.794 -7.186 8.514 1.00 0.00 H new ATOM 0 HB3 GLU A 30 8.886 -5.847 8.805 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.824 -4.784 10.054 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.225 -6.430 10.092 1.00 0.00 H new ATOM 458 N PRO A 31 8.953 -5.419 5.801 1.00 0.00 N ATOM 459 CA PRO A 31 9.614 -5.857 4.568 1.00 0.00 C ATOM 460 C PRO A 31 10.163 -7.275 4.677 1.00 0.00 C ATOM 461 O PRO A 31 10.743 -7.651 5.697 1.00 0.00 O ATOM 462 CB PRO A 31 10.757 -4.852 4.402 1.00 0.00 C ATOM 463 CG PRO A 31 11.038 -4.368 5.782 1.00 0.00 C ATOM 464 CD PRO A 31 9.718 -4.373 6.501 1.00 0.00 C ATOM 0 HA PRO A 31 8.925 -5.883 3.724 1.00 0.00 H new ATOM 0 HB2 PRO A 31 11.636 -5.321 3.960 1.00 0.00 H new ATOM 0 HB3 PRO A 31 10.470 -4.031 3.745 1.00 0.00 H new ATOM 0 HG2 PRO A 31 11.758 -5.015 6.283 1.00 0.00 H new ATOM 0 HG3 PRO A 31 11.468 -3.367 5.764 1.00 0.00 H new ATOM 0 HD2 PRO A 31 9.838 -4.603 7.560 1.00 0.00 H new ATOM 0 HD3 PRO A 31 9.223 -3.404 6.439 1.00 0.00 H new ATOM 472 N VAL A 32 9.979 -8.059 3.621 1.00 0.00 N ATOM 473 CA VAL A 32 10.457 -9.437 3.597 1.00 0.00 C ATOM 474 C VAL A 32 11.981 -9.490 3.648 1.00 0.00 C ATOM 475 O VAL A 32 12.675 -8.817 2.887 1.00 0.00 O ATOM 476 CB VAL A 32 9.970 -10.180 2.339 1.00 0.00 C ATOM 477 CG1 VAL A 32 10.625 -11.548 2.240 1.00 0.00 C ATOM 478 CG2 VAL A 32 8.454 -10.303 2.347 1.00 0.00 C ATOM 0 H VAL A 32 9.502 -7.764 2.769 1.00 0.00 H new ATOM 0 HA VAL A 32 10.048 -9.929 4.480 1.00 0.00 H new ATOM 0 HB VAL A 32 10.259 -9.602 1.461 1.00 0.00 H new ATOM 0 HG11 VAL A 32 10.269 -12.058 1.345 1.00 0.00 H new ATOM 0 HG12 VAL A 32 11.707 -11.430 2.184 1.00 0.00 H new ATOM 0 HG13 VAL A 32 10.369 -12.138 3.120 1.00 0.00 H new ATOM 0 HG21 VAL A 32 8.127 -10.831 1.451 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.139 -10.858 3.230 1.00 0.00 H new ATOM 0 HG23 VAL A 32 8.008 -9.308 2.365 1.00 0.00 H new ATOM 488 N PRO A 33 12.513 -10.310 4.566 1.00 0.00 N ATOM 489 CA PRO A 33 13.959 -10.472 4.738 1.00 0.00 C ATOM 490 C PRO A 33 14.604 -11.205 3.565 1.00 0.00 C ATOM 491 O PRO A 33 13.996 -12.092 2.964 1.00 0.00 O ATOM 492 CB PRO A 33 14.074 -11.305 6.017 1.00 0.00 C ATOM 493 CG PRO A 33 12.787 -12.050 6.101 1.00 0.00 C ATOM 494 CD PRO A 33 11.745 -11.143 5.506 1.00 0.00 C ATOM 0 HA PRO A 33 14.473 -9.512 4.791 1.00 0.00 H new ATOM 0 HB2 PRO A 33 14.924 -11.986 5.971 1.00 0.00 H new ATOM 0 HB3 PRO A 33 14.222 -10.670 6.891 1.00 0.00 H new ATOM 0 HG2 PRO A 33 12.844 -12.991 5.554 1.00 0.00 H new ATOM 0 HG3 PRO A 33 12.545 -12.297 7.135 1.00 0.00 H new ATOM 0 HD2 PRO A 33 10.964 -11.708 4.997 1.00 0.00 H new ATOM 0 HD3 PRO A 33 11.255 -10.539 6.270 1.00 0.00 H new ATOM 502 N LEU A 34 15.838 -10.831 3.246 1.00 0.00 N ATOM 503 CA LEU A 34 16.566 -11.454 2.145 1.00 0.00 C ATOM 504 C LEU A 34 17.254 -12.735 2.605 1.00 0.00 C ATOM 505 O LEU A 34 17.514 -13.633 1.803 1.00 0.00 O ATOM 506 CB LEU A 34 17.601 -10.481 1.577 1.00 0.00 C ATOM 507 CG LEU A 34 17.042 -9.244 0.871 1.00 0.00 C ATOM 508 CD1 LEU A 34 18.167 -8.428 0.256 1.00 0.00 C ATOM 509 CD2 LEU A 34 16.032 -9.649 -0.193 1.00 0.00 C ATOM 0 H LEU A 34 16.356 -10.100 3.734 1.00 0.00 H new ATOM 0 HA LEU A 34 15.849 -11.708 1.364 1.00 0.00 H new ATOM 0 HB2 LEU A 34 18.245 -10.150 2.392 1.00 0.00 H new ATOM 0 HB3 LEU A 34 18.232 -11.023 0.872 1.00 0.00 H new ATOM 0 HG LEU A 34 16.533 -8.625 1.610 1.00 0.00 H new ATOM 0 HD11 LEU A 34 17.751 -7.552 -0.242 1.00 0.00 H new ATOM 0 HD12 LEU A 34 18.854 -8.108 1.039 1.00 0.00 H new ATOM 0 HD13 LEU A 34 18.704 -9.038 -0.471 1.00 0.00 H new ATOM 0 HD21 LEU A 34 15.644 -8.757 -0.685 1.00 0.00 H new ATOM 0 HD22 LEU A 34 16.517 -10.289 -0.930 1.00 0.00 H new ATOM 0 HD23 LEU A 34 15.210 -10.192 0.274 1.00 0.00 H new ATOM 521 N SER A 35 17.546 -12.814 3.899 1.00 0.00 N ATOM 522 CA SER A 35 18.206 -13.985 4.465 1.00 0.00 C ATOM 523 C SER A 35 17.453 -15.261 4.098 1.00 0.00 C ATOM 524 O SER A 35 18.061 -16.271 3.745 1.00 0.00 O ATOM 525 CB SER A 35 18.305 -13.856 5.985 1.00 0.00 C ATOM 526 OG SER A 35 18.750 -15.067 6.572 1.00 0.00 O ATOM 0 H SER A 35 17.336 -12.081 4.576 1.00 0.00 H new ATOM 0 HA SER A 35 19.211 -14.044 4.048 1.00 0.00 H new ATOM 0 HB2 SER A 35 18.993 -13.050 6.241 1.00 0.00 H new ATOM 0 HB3 SER A 35 17.332 -13.586 6.394 1.00 0.00 H new ATOM 0 HG SER A 35 18.806 -14.958 7.544 1.00 0.00 H new ATOM 532 N GLU A 36 16.128 -15.206 4.187 1.00 0.00 N ATOM 533 CA GLU A 36 15.293 -16.358 3.867 1.00 0.00 C ATOM 534 C GLU A 36 14.912 -16.358 2.389 1.00 0.00 C ATOM 535 O GLU A 36 14.576 -17.399 1.825 1.00 0.00 O ATOM 536 CB GLU A 36 14.031 -16.357 4.732 1.00 0.00 C ATOM 537 CG GLU A 36 13.474 -17.745 4.997 1.00 0.00 C ATOM 538 CD GLU A 36 14.523 -18.704 5.524 1.00 0.00 C ATOM 539 OE1 GLU A 36 15.210 -19.342 4.699 1.00 0.00 O ATOM 540 OE2 GLU A 36 14.657 -18.817 6.760 1.00 0.00 O ATOM 0 H GLU A 36 15.610 -14.377 4.478 1.00 0.00 H new ATOM 0 HA GLU A 36 15.866 -17.261 4.077 1.00 0.00 H new ATOM 0 HB2 GLU A 36 14.254 -15.876 5.684 1.00 0.00 H new ATOM 0 HB3 GLU A 36 13.266 -15.755 4.242 1.00 0.00 H new ATOM 0 HG2 GLU A 36 12.658 -17.674 5.716 1.00 0.00 H new ATOM 0 HG3 GLU A 36 13.052 -18.145 4.075 1.00 0.00 H new ATOM 547 N VAL A 37 14.965 -15.183 1.770 1.00 0.00 N ATOM 548 CA VAL A 37 14.625 -15.048 0.358 1.00 0.00 C ATOM 549 C VAL A 37 15.741 -14.350 -0.410 1.00 0.00 C ATOM 550 O VAL A 37 15.703 -13.143 -0.649 1.00 0.00 O ATOM 551 CB VAL A 37 13.316 -14.260 0.169 1.00 0.00 C ATOM 552 CG1 VAL A 37 12.591 -14.721 -1.086 1.00 0.00 C ATOM 553 CG2 VAL A 37 12.424 -14.407 1.394 1.00 0.00 C ATOM 0 H VAL A 37 15.240 -14.312 2.223 1.00 0.00 H new ATOM 0 HA VAL A 37 14.493 -16.056 -0.034 1.00 0.00 H new ATOM 0 HB VAL A 37 13.562 -13.205 0.051 1.00 0.00 H new ATOM 0 HG11 VAL A 37 11.668 -14.153 -1.203 1.00 0.00 H new ATOM 0 HG12 VAL A 37 13.229 -14.559 -1.955 1.00 0.00 H new ATOM 0 HG13 VAL A 37 12.355 -15.782 -1.001 1.00 0.00 H new ATOM 0 HG21 VAL A 37 11.503 -13.844 1.243 1.00 0.00 H new ATOM 0 HG22 VAL A 37 12.185 -15.460 1.546 1.00 0.00 H new ATOM 0 HG23 VAL A 37 12.945 -14.023 2.271 1.00 0.00 H new ATOM 563 N PRO A 38 16.760 -15.125 -0.810 1.00 0.00 N ATOM 564 CA PRO A 38 17.906 -14.603 -1.559 1.00 0.00 C ATOM 565 C PRO A 38 17.533 -14.195 -2.979 1.00 0.00 C ATOM 566 O PRO A 38 18.234 -13.405 -3.613 1.00 0.00 O ATOM 567 CB PRO A 38 18.883 -15.782 -1.581 1.00 0.00 C ATOM 568 CG PRO A 38 18.022 -16.989 -1.433 1.00 0.00 C ATOM 569 CD PRO A 38 16.871 -16.573 -0.561 1.00 0.00 C ATOM 0 HA PRO A 38 18.314 -13.702 -1.102 1.00 0.00 H new ATOM 0 HB2 PRO A 38 19.448 -15.811 -2.513 1.00 0.00 H new ATOM 0 HB3 PRO A 38 19.608 -15.711 -0.770 1.00 0.00 H new ATOM 0 HG2 PRO A 38 17.670 -17.338 -2.404 1.00 0.00 H new ATOM 0 HG3 PRO A 38 18.577 -17.811 -0.981 1.00 0.00 H new ATOM 0 HD2 PRO A 38 15.954 -17.098 -0.828 1.00 0.00 H new ATOM 0 HD3 PRO A 38 17.066 -16.786 0.490 1.00 0.00 H new ATOM 577 N ASP A 39 16.425 -14.735 -3.473 1.00 0.00 N ATOM 578 CA ASP A 39 15.957 -14.425 -4.819 1.00 0.00 C ATOM 579 C ASP A 39 14.678 -13.595 -4.773 1.00 0.00 C ATOM 580 O ASP A 39 13.868 -13.630 -5.700 1.00 0.00 O ATOM 581 CB ASP A 39 15.715 -15.713 -5.607 1.00 0.00 C ATOM 582 CG ASP A 39 16.963 -16.202 -6.315 1.00 0.00 C ATOM 583 OD1 ASP A 39 17.833 -15.364 -6.631 1.00 0.00 O ATOM 584 OD2 ASP A 39 17.071 -17.423 -6.554 1.00 0.00 O ATOM 0 H ASP A 39 15.834 -15.390 -2.962 1.00 0.00 H new ATOM 0 HA ASP A 39 16.730 -13.841 -5.319 1.00 0.00 H new ATOM 0 HB2 ASP A 39 15.358 -16.488 -4.929 1.00 0.00 H new ATOM 0 HB3 ASP A 39 14.927 -15.544 -6.341 1.00 0.00 H new ATOM 589 N TYR A 40 14.501 -12.850 -3.686 1.00 0.00 N ATOM 590 CA TYR A 40 13.319 -12.014 -3.517 1.00 0.00 C ATOM 591 C TYR A 40 13.121 -11.099 -4.722 1.00 0.00 C ATOM 592 O TYR A 40 12.044 -11.060 -5.318 1.00 0.00 O ATOM 593 CB TYR A 40 13.438 -11.179 -2.241 1.00 0.00 C ATOM 594 CG TYR A 40 12.219 -10.332 -1.956 1.00 0.00 C ATOM 595 CD1 TYR A 40 10.947 -10.893 -1.935 1.00 0.00 C ATOM 596 CD2 TYR A 40 12.337 -8.970 -1.706 1.00 0.00 C ATOM 597 CE1 TYR A 40 9.831 -10.123 -1.676 1.00 0.00 C ATOM 598 CE2 TYR A 40 11.225 -8.193 -1.443 1.00 0.00 C ATOM 599 CZ TYR A 40 9.974 -8.774 -1.430 1.00 0.00 C ATOM 600 OH TYR A 40 8.864 -8.004 -1.170 1.00 0.00 O ATOM 0 H TYR A 40 15.161 -12.809 -2.910 1.00 0.00 H new ATOM 0 HA TYR A 40 12.451 -12.668 -3.435 1.00 0.00 H new ATOM 0 HB2 TYR A 40 13.613 -11.845 -1.396 1.00 0.00 H new ATOM 0 HB3 TYR A 40 14.310 -10.530 -2.321 1.00 0.00 H new ATOM 0 HD1 TYR A 40 10.830 -11.950 -2.125 1.00 0.00 H new ATOM 0 HD2 TYR A 40 13.315 -8.511 -1.717 1.00 0.00 H new ATOM 0 HE1 TYR A 40 8.850 -10.575 -1.666 1.00 0.00 H new ATOM 0 HE2 TYR A 40 11.335 -7.136 -1.249 1.00 0.00 H new ATOM 0 HH TYR A 40 9.138 -7.076 -1.017 1.00 0.00 H new ATOM 610 N LEU A 41 14.170 -10.364 -5.075 1.00 0.00 N ATOM 611 CA LEU A 41 14.114 -9.448 -6.210 1.00 0.00 C ATOM 612 C LEU A 41 14.130 -10.214 -7.529 1.00 0.00 C ATOM 613 O LEU A 41 13.450 -9.839 -8.484 1.00 0.00 O ATOM 614 CB LEU A 41 15.290 -8.471 -6.160 1.00 0.00 C ATOM 615 CG LEU A 41 15.445 -7.674 -4.864 1.00 0.00 C ATOM 616 CD1 LEU A 41 16.746 -6.886 -4.875 1.00 0.00 C ATOM 617 CD2 LEU A 41 14.258 -6.742 -4.666 1.00 0.00 C ATOM 0 H LEU A 41 15.069 -10.384 -4.593 1.00 0.00 H new ATOM 0 HA LEU A 41 13.181 -8.888 -6.148 1.00 0.00 H new ATOM 0 HB2 LEU A 41 16.209 -9.031 -6.331 1.00 0.00 H new ATOM 0 HB3 LEU A 41 15.187 -7.767 -6.986 1.00 0.00 H new ATOM 0 HG LEU A 41 15.475 -8.375 -4.030 1.00 0.00 H new ATOM 0 HD11 LEU A 41 16.839 -6.325 -3.945 1.00 0.00 H new ATOM 0 HD12 LEU A 41 17.587 -7.573 -4.970 1.00 0.00 H new ATOM 0 HD13 LEU A 41 16.745 -6.194 -5.717 1.00 0.00 H new ATOM 0 HD21 LEU A 41 14.385 -6.183 -3.739 1.00 0.00 H new ATOM 0 HD22 LEU A 41 14.197 -6.047 -5.504 1.00 0.00 H new ATOM 0 HD23 LEU A 41 13.340 -7.328 -4.613 1.00 0.00 H new ATOM 629 N ASP A 42 14.909 -11.289 -7.574 1.00 0.00 N ATOM 630 CA ASP A 42 15.012 -12.110 -8.774 1.00 0.00 C ATOM 631 C ASP A 42 13.662 -12.215 -9.478 1.00 0.00 C ATOM 632 O ASP A 42 13.596 -12.347 -10.701 1.00 0.00 O ATOM 633 CB ASP A 42 15.526 -13.507 -8.420 1.00 0.00 C ATOM 634 CG ASP A 42 16.122 -14.224 -9.616 1.00 0.00 C ATOM 635 OD1 ASP A 42 17.078 -13.687 -10.214 1.00 0.00 O ATOM 636 OD2 ASP A 42 15.632 -15.322 -9.953 1.00 0.00 O ATOM 0 H ASP A 42 15.479 -11.612 -6.792 1.00 0.00 H new ATOM 0 HA ASP A 42 15.719 -11.632 -9.452 1.00 0.00 H new ATOM 0 HB2 ASP A 42 16.279 -13.426 -7.636 1.00 0.00 H new ATOM 0 HB3 ASP A 42 14.707 -14.101 -8.015 1.00 0.00 H new ATOM 641 N HIS A 43 12.588 -12.155 -8.698 1.00 0.00 N ATOM 642 CA HIS A 43 11.239 -12.243 -9.247 1.00 0.00 C ATOM 643 C HIS A 43 10.510 -10.909 -9.113 1.00 0.00 C ATOM 644 O HIS A 43 9.720 -10.534 -9.980 1.00 0.00 O ATOM 645 CB HIS A 43 10.448 -13.343 -8.537 1.00 0.00 C ATOM 646 CG HIS A 43 11.058 -14.704 -8.676 1.00 0.00 C ATOM 647 ND1 HIS A 43 10.499 -15.704 -9.443 1.00 0.00 N ATOM 648 CD2 HIS A 43 12.185 -15.227 -8.141 1.00 0.00 C ATOM 649 CE1 HIS A 43 11.255 -16.785 -9.373 1.00 0.00 C ATOM 650 NE2 HIS A 43 12.286 -16.522 -8.590 1.00 0.00 N ATOM 0 H HIS A 43 12.625 -12.046 -7.685 1.00 0.00 H new ATOM 0 HA HIS A 43 11.319 -12.489 -10.306 1.00 0.00 H new ATOM 0 HB2 HIS A 43 10.368 -13.096 -7.478 1.00 0.00 H new ATOM 0 HB3 HIS A 43 9.434 -13.366 -8.937 1.00 0.00 H new ATOM 0 HD2 HIS A 43 12.877 -14.721 -7.484 1.00 0.00 H new ATOM 0 HE1 HIS A 43 11.063 -17.724 -9.871 1.00 0.00 H new ATOM 0 HE2 HIS A 43 13.035 -17.174 -8.357 1.00 0.00 H new ATOM 659 N ILE A 44 10.780 -10.199 -8.023 1.00 0.00 N ATOM 660 CA ILE A 44 10.150 -8.908 -7.778 1.00 0.00 C ATOM 661 C ILE A 44 11.029 -7.764 -8.274 1.00 0.00 C ATOM 662 O ILE A 44 12.218 -7.699 -7.961 1.00 0.00 O ATOM 663 CB ILE A 44 9.854 -8.701 -6.281 1.00 0.00 C ATOM 664 CG1 ILE A 44 8.809 -9.709 -5.802 1.00 0.00 C ATOM 665 CG2 ILE A 44 9.381 -7.278 -6.027 1.00 0.00 C ATOM 666 CD1 ILE A 44 7.585 -9.779 -6.688 1.00 0.00 C ATOM 0 H ILE A 44 11.431 -10.496 -7.296 1.00 0.00 H new ATOM 0 HA ILE A 44 9.210 -8.906 -8.330 1.00 0.00 H new ATOM 0 HB ILE A 44 10.773 -8.864 -5.718 1.00 0.00 H new ATOM 0 HG12 ILE A 44 9.266 -10.697 -5.750 1.00 0.00 H new ATOM 0 HG13 ILE A 44 8.500 -9.447 -4.790 1.00 0.00 H new ATOM 0 HG21 ILE A 44 9.176 -7.147 -4.965 1.00 0.00 H new ATOM 0 HG22 ILE A 44 10.156 -6.576 -6.336 1.00 0.00 H new ATOM 0 HG23 ILE A 44 8.472 -7.089 -6.598 1.00 0.00 H new ATOM 0 HD11 ILE A 44 6.887 -10.514 -6.287 1.00 0.00 H new ATOM 0 HD12 ILE A 44 7.103 -8.802 -6.721 1.00 0.00 H new ATOM 0 HD13 ILE A 44 7.881 -10.071 -7.695 1.00 0.00 H new ATOM 678 N LYS A 45 10.435 -6.863 -9.049 1.00 0.00 N ATOM 679 CA LYS A 45 11.162 -5.719 -9.587 1.00 0.00 C ATOM 680 C LYS A 45 11.089 -4.530 -8.633 1.00 0.00 C ATOM 681 O LYS A 45 12.080 -3.832 -8.418 1.00 0.00 O ATOM 682 CB LYS A 45 10.595 -5.325 -10.953 1.00 0.00 C ATOM 683 CG LYS A 45 11.182 -6.120 -12.107 1.00 0.00 C ATOM 684 CD LYS A 45 12.529 -5.565 -12.539 1.00 0.00 C ATOM 685 CE LYS A 45 13.061 -6.289 -13.766 1.00 0.00 C ATOM 686 NZ LYS A 45 14.541 -6.165 -13.885 1.00 0.00 N ATOM 0 H LYS A 45 9.452 -6.903 -9.319 1.00 0.00 H new ATOM 0 HA LYS A 45 12.207 -6.006 -9.703 1.00 0.00 H new ATOM 0 HB2 LYS A 45 9.514 -5.462 -10.941 1.00 0.00 H new ATOM 0 HB3 LYS A 45 10.780 -4.264 -11.122 1.00 0.00 H new ATOM 0 HG2 LYS A 45 11.295 -7.163 -11.811 1.00 0.00 H new ATOM 0 HG3 LYS A 45 10.492 -6.101 -12.951 1.00 0.00 H new ATOM 0 HD2 LYS A 45 12.433 -4.501 -12.756 1.00 0.00 H new ATOM 0 HD3 LYS A 45 13.243 -5.660 -11.721 1.00 0.00 H new ATOM 0 HE2 LYS A 45 12.788 -7.343 -13.713 1.00 0.00 H new ATOM 0 HE3 LYS A 45 12.589 -5.882 -14.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 14.865 -6.672 -14.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 14.800 -5.161 -13.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 14.993 -6.576 -13.043 1.00 0.00 H new ATOM 700 N LYS A 46 9.910 -4.307 -8.062 1.00 0.00 N ATOM 701 CA LYS A 46 9.708 -3.206 -7.129 1.00 0.00 C ATOM 702 C LYS A 46 9.062 -3.699 -5.838 1.00 0.00 C ATOM 703 O LYS A 46 7.841 -3.684 -5.681 1.00 0.00 O ATOM 704 CB LYS A 46 8.835 -2.124 -7.767 1.00 0.00 C ATOM 705 CG LYS A 46 8.659 -0.892 -6.896 1.00 0.00 C ATOM 706 CD LYS A 46 8.002 0.244 -7.663 1.00 0.00 C ATOM 707 CE LYS A 46 7.342 1.243 -6.723 1.00 0.00 C ATOM 708 NZ LYS A 46 8.305 2.273 -6.244 1.00 0.00 N ATOM 0 H LYS A 46 9.080 -4.875 -8.230 1.00 0.00 H new ATOM 0 HA LYS A 46 10.683 -2.783 -6.888 1.00 0.00 H new ATOM 0 HB2 LYS A 46 9.277 -1.826 -8.718 1.00 0.00 H new ATOM 0 HB3 LYS A 46 7.854 -2.545 -7.989 1.00 0.00 H new ATOM 0 HG2 LYS A 46 8.052 -1.144 -6.026 1.00 0.00 H new ATOM 0 HG3 LYS A 46 9.630 -0.567 -6.524 1.00 0.00 H new ATOM 0 HD2 LYS A 46 8.749 0.754 -8.271 1.00 0.00 H new ATOM 0 HD3 LYS A 46 7.256 -0.161 -8.347 1.00 0.00 H new ATOM 0 HE2 LYS A 46 6.513 1.731 -7.236 1.00 0.00 H new ATOM 0 HE3 LYS A 46 6.921 0.714 -5.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 7.817 2.934 -5.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 9.083 1.810 -5.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 8.688 2.795 -7.058 1.00 0.00 H new ATOM 722 N PRO A 47 9.899 -4.144 -4.889 1.00 0.00 N ATOM 723 CA PRO A 47 9.432 -4.647 -3.594 1.00 0.00 C ATOM 724 C PRO A 47 8.866 -3.540 -2.712 1.00 0.00 C ATOM 725 O PRO A 47 9.604 -2.690 -2.216 1.00 0.00 O ATOM 726 CB PRO A 47 10.697 -5.237 -2.965 1.00 0.00 C ATOM 727 CG PRO A 47 11.819 -4.495 -3.607 1.00 0.00 C ATOM 728 CD PRO A 47 11.367 -4.189 -5.007 1.00 0.00 C ATOM 0 HA PRO A 47 8.620 -5.365 -3.705 1.00 0.00 H new ATOM 0 HB2 PRO A 47 10.701 -5.103 -1.883 1.00 0.00 H new ATOM 0 HB3 PRO A 47 10.771 -6.308 -3.154 1.00 0.00 H new ATOM 0 HG2 PRO A 47 12.044 -3.579 -3.061 1.00 0.00 H new ATOM 0 HG3 PRO A 47 12.730 -5.094 -3.613 1.00 0.00 H new ATOM 0 HD2 PRO A 47 11.771 -3.241 -5.362 1.00 0.00 H new ATOM 0 HD3 PRO A 47 11.690 -4.956 -5.711 1.00 0.00 H new ATOM 736 N MET A 48 7.551 -3.557 -2.521 1.00 0.00 N ATOM 737 CA MET A 48 6.885 -2.555 -1.697 1.00 0.00 C ATOM 738 C MET A 48 6.364 -3.173 -0.403 1.00 0.00 C ATOM 739 O MET A 48 6.234 -4.392 -0.296 1.00 0.00 O ATOM 740 CB MET A 48 5.733 -1.911 -2.469 1.00 0.00 C ATOM 741 CG MET A 48 5.203 -0.641 -1.824 1.00 0.00 C ATOM 742 SD MET A 48 6.486 0.602 -1.581 1.00 0.00 S ATOM 743 CE MET A 48 7.256 0.615 -3.198 1.00 0.00 C ATOM 0 H MET A 48 6.925 -4.254 -2.926 1.00 0.00 H new ATOM 0 HA MET A 48 7.616 -1.787 -1.443 1.00 0.00 H new ATOM 0 HB2 MET A 48 6.068 -1.682 -3.481 1.00 0.00 H new ATOM 0 HB3 MET A 48 4.919 -2.630 -2.558 1.00 0.00 H new ATOM 0 HG2 MET A 48 4.412 -0.224 -2.448 1.00 0.00 H new ATOM 0 HG3 MET A 48 4.754 -0.887 -0.862 1.00 0.00 H new ATOM 0 HE1 MET A 48 7.673 1.603 -3.394 1.00 0.00 H new ATOM 0 HE2 MET A 48 8.053 -0.128 -3.227 1.00 0.00 H new ATOM 0 HE3 MET A 48 6.511 0.378 -3.958 1.00 0.00 H new ATOM 753 N ASP A 49 6.067 -2.325 0.576 1.00 0.00 N ATOM 754 CA ASP A 49 5.560 -2.788 1.861 1.00 0.00 C ATOM 755 C ASP A 49 4.867 -1.656 2.613 1.00 0.00 C ATOM 756 O ASP A 49 4.902 -0.502 2.186 1.00 0.00 O ATOM 757 CB ASP A 49 6.699 -3.357 2.709 1.00 0.00 C ATOM 758 CG ASP A 49 7.577 -4.316 1.930 1.00 0.00 C ATOM 759 OD1 ASP A 49 7.174 -5.486 1.763 1.00 0.00 O ATOM 760 OD2 ASP A 49 8.668 -3.898 1.489 1.00 0.00 O ATOM 0 H ASP A 49 6.169 -1.313 0.503 1.00 0.00 H new ATOM 0 HA ASP A 49 4.830 -3.575 1.672 1.00 0.00 H new ATOM 0 HB2 ASP A 49 7.309 -2.538 3.089 1.00 0.00 H new ATOM 0 HB3 ASP A 49 6.282 -3.872 3.574 1.00 0.00 H new ATOM 765 N PHE A 50 4.236 -1.993 3.732 1.00 0.00 N ATOM 766 CA PHE A 50 3.533 -1.005 4.542 1.00 0.00 C ATOM 767 C PHE A 50 4.501 0.044 5.081 1.00 0.00 C ATOM 768 O PHE A 50 4.325 1.241 4.855 1.00 0.00 O ATOM 769 CB PHE A 50 2.806 -1.689 5.702 1.00 0.00 C ATOM 770 CG PHE A 50 1.410 -2.125 5.361 1.00 0.00 C ATOM 771 CD1 PHE A 50 0.508 -1.232 4.804 1.00 0.00 C ATOM 772 CD2 PHE A 50 0.999 -3.426 5.598 1.00 0.00 C ATOM 773 CE1 PHE A 50 -0.777 -1.631 4.489 1.00 0.00 C ATOM 774 CE2 PHE A 50 -0.285 -3.830 5.285 1.00 0.00 C ATOM 775 CZ PHE A 50 -1.175 -2.931 4.731 1.00 0.00 C ATOM 0 H PHE A 50 4.197 -2.944 4.099 1.00 0.00 H new ATOM 0 HA PHE A 50 2.801 -0.506 3.907 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.382 -2.558 6.019 1.00 0.00 H new ATOM 0 HB3 PHE A 50 2.768 -1.005 6.550 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.813 -0.213 4.614 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.690 -4.133 6.033 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -1.470 -0.926 4.054 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -0.592 -4.848 5.474 1.00 0.00 H new ATOM 0 HZ PHE A 50 -2.180 -3.244 4.488 1.00 0.00 H new ATOM 785 N PHE A 51 5.523 -0.414 5.796 1.00 0.00 N ATOM 786 CA PHE A 51 6.519 0.484 6.369 1.00 0.00 C ATOM 787 C PHE A 51 7.322 1.176 5.272 1.00 0.00 C ATOM 788 O PHE A 51 7.590 2.377 5.345 1.00 0.00 O ATOM 789 CB PHE A 51 7.460 -0.288 7.295 1.00 0.00 C ATOM 790 CG PHE A 51 8.822 0.333 7.420 1.00 0.00 C ATOM 791 CD1 PHE A 51 9.007 1.484 8.168 1.00 0.00 C ATOM 792 CD2 PHE A 51 9.917 -0.235 6.789 1.00 0.00 C ATOM 793 CE1 PHE A 51 10.259 2.058 8.284 1.00 0.00 C ATOM 794 CE2 PHE A 51 11.171 0.334 6.902 1.00 0.00 C ATOM 795 CZ PHE A 51 11.342 1.483 7.650 1.00 0.00 C ATOM 0 H PHE A 51 5.683 -1.402 5.993 1.00 0.00 H new ATOM 0 HA PHE A 51 5.995 1.245 6.947 1.00 0.00 H new ATOM 0 HB2 PHE A 51 7.008 -0.355 8.285 1.00 0.00 H new ATOM 0 HB3 PHE A 51 7.567 -1.307 6.923 1.00 0.00 H new ATOM 0 HD1 PHE A 51 8.163 1.938 8.666 1.00 0.00 H new ATOM 0 HD2 PHE A 51 9.789 -1.133 6.202 1.00 0.00 H new ATOM 0 HE1 PHE A 51 10.390 2.956 8.870 1.00 0.00 H new ATOM 0 HE2 PHE A 51 12.017 -0.119 6.406 1.00 0.00 H new ATOM 0 HZ PHE A 51 12.321 1.930 7.738 1.00 0.00 H new ATOM 805 N THR A 52 7.706 0.412 4.256 1.00 0.00 N ATOM 806 CA THR A 52 8.481 0.950 3.144 1.00 0.00 C ATOM 807 C THR A 52 7.739 2.091 2.458 1.00 0.00 C ATOM 808 O THR A 52 8.270 3.191 2.314 1.00 0.00 O ATOM 809 CB THR A 52 8.800 -0.139 2.102 1.00 0.00 C ATOM 810 OG1 THR A 52 9.779 -1.044 2.622 1.00 0.00 O ATOM 811 CG2 THR A 52 9.310 0.480 0.810 1.00 0.00 C ATOM 0 H THR A 52 7.493 -0.583 4.179 1.00 0.00 H new ATOM 0 HA THR A 52 9.414 1.326 3.563 1.00 0.00 H new ATOM 0 HB THR A 52 7.881 -0.684 1.887 1.00 0.00 H new ATOM 0 HG1 THR A 52 9.539 -1.962 2.376 1.00 0.00 H new ATOM 0 HG21 THR A 52 9.528 -0.309 0.090 1.00 0.00 H new ATOM 0 HG22 THR A 52 8.550 1.145 0.400 1.00 0.00 H new ATOM 0 HG23 THR A 52 10.218 1.048 1.012 1.00 0.00 H new ATOM 819 N MET A 53 6.506 1.822 2.037 1.00 0.00 N ATOM 820 CA MET A 53 5.691 2.828 1.369 1.00 0.00 C ATOM 821 C MET A 53 5.566 4.084 2.226 1.00 0.00 C ATOM 822 O MET A 53 5.491 5.198 1.707 1.00 0.00 O ATOM 823 CB MET A 53 4.302 2.267 1.060 1.00 0.00 C ATOM 824 CG MET A 53 3.293 2.496 2.173 1.00 0.00 C ATOM 825 SD MET A 53 2.406 4.056 1.997 1.00 0.00 S ATOM 826 CE MET A 53 1.452 3.740 0.515 1.00 0.00 C ATOM 0 H MET A 53 6.051 0.916 2.147 1.00 0.00 H new ATOM 0 HA MET A 53 6.183 3.095 0.434 1.00 0.00 H new ATOM 0 HB2 MET A 53 3.930 2.725 0.143 1.00 0.00 H new ATOM 0 HB3 MET A 53 4.385 1.197 0.871 1.00 0.00 H new ATOM 0 HG2 MET A 53 2.577 1.674 2.183 1.00 0.00 H new ATOM 0 HG3 MET A 53 3.808 2.482 3.134 1.00 0.00 H new ATOM 0 HE1 MET A 53 1.611 4.548 -0.199 1.00 0.00 H new ATOM 0 HE2 MET A 53 1.770 2.796 0.072 1.00 0.00 H new ATOM 0 HE3 MET A 53 0.393 3.684 0.769 1.00 0.00 H new ATOM 836 N LYS A 54 5.542 3.897 3.541 1.00 0.00 N ATOM 837 CA LYS A 54 5.427 5.014 4.472 1.00 0.00 C ATOM 838 C LYS A 54 6.645 5.927 4.379 1.00 0.00 C ATOM 839 O LYS A 54 6.511 7.147 4.284 1.00 0.00 O ATOM 840 CB LYS A 54 5.271 4.498 5.904 1.00 0.00 C ATOM 841 CG LYS A 54 5.061 5.599 6.928 1.00 0.00 C ATOM 842 CD LYS A 54 4.157 6.696 6.390 1.00 0.00 C ATOM 843 CE LYS A 54 3.950 7.800 7.415 1.00 0.00 C ATOM 844 NZ LYS A 54 3.634 7.252 8.764 1.00 0.00 N ATOM 0 H LYS A 54 5.601 2.982 3.987 1.00 0.00 H new ATOM 0 HA LYS A 54 4.542 5.590 4.202 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.426 3.811 5.943 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.159 3.927 6.174 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.624 5.177 7.833 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.024 6.025 7.208 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.593 7.116 5.484 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.193 6.271 6.112 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.849 8.414 7.474 1.00 0.00 H new ATOM 0 HE3 LYS A 54 3.139 8.451 7.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.239 8.006 9.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.940 6.483 8.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 4.503 6.884 9.201 1.00 0.00 H new ATOM 858 N GLN A 55 7.831 5.329 4.405 1.00 0.00 N ATOM 859 CA GLN A 55 9.073 6.090 4.324 1.00 0.00 C ATOM 860 C GLN A 55 9.056 7.030 3.123 1.00 0.00 C ATOM 861 O GLN A 55 9.431 8.197 3.231 1.00 0.00 O ATOM 862 CB GLN A 55 10.270 5.143 4.229 1.00 0.00 C ATOM 863 CG GLN A 55 10.385 4.186 5.405 1.00 0.00 C ATOM 864 CD GLN A 55 11.141 4.786 6.574 1.00 0.00 C ATOM 865 OE1 GLN A 55 12.341 5.047 6.483 1.00 0.00 O ATOM 866 NE2 GLN A 55 10.442 5.008 7.681 1.00 0.00 N ATOM 0 H GLN A 55 7.959 4.320 4.481 1.00 0.00 H new ATOM 0 HA GLN A 55 9.164 6.689 5.230 1.00 0.00 H new ATOM 0 HB2 GLN A 55 10.193 4.565 3.308 1.00 0.00 H new ATOM 0 HB3 GLN A 55 11.184 5.732 4.160 1.00 0.00 H new ATOM 0 HG2 GLN A 55 9.386 3.898 5.733 1.00 0.00 H new ATOM 0 HG3 GLN A 55 10.889 3.276 5.080 1.00 0.00 H new ATOM 0 HE21 GLN A 55 9.449 4.776 7.712 1.00 0.00 H new ATOM 0 HE22 GLN A 55 10.898 5.410 8.500 1.00 0.00 H new ATOM 875 N ASN A 56 8.620 6.514 1.979 1.00 0.00 N ATOM 876 CA ASN A 56 8.556 7.307 0.757 1.00 0.00 C ATOM 877 C ASN A 56 7.488 8.391 0.868 1.00 0.00 C ATOM 878 O ASN A 56 7.669 9.509 0.383 1.00 0.00 O ATOM 879 CB ASN A 56 8.262 6.408 -0.445 1.00 0.00 C ATOM 880 CG ASN A 56 9.317 5.336 -0.636 1.00 0.00 C ATOM 881 OD1 ASN A 56 10.515 5.605 -0.552 1.00 0.00 O ATOM 882 ND2 ASN A 56 8.874 4.110 -0.895 1.00 0.00 N ATOM 0 H ASN A 56 8.306 5.550 1.872 1.00 0.00 H new ATOM 0 HA ASN A 56 9.524 7.788 0.614 1.00 0.00 H new ATOM 0 HB2 ASN A 56 7.288 5.936 -0.313 1.00 0.00 H new ATOM 0 HB3 ASN A 56 8.201 7.019 -1.346 1.00 0.00 H new ATOM 0 HD21 ASN A 56 9.537 3.347 -1.033 1.00 0.00 H new ATOM 0 HD22 ASN A 56 7.871 3.932 -0.956 1.00 0.00 H new ATOM 889 N LEU A 57 6.375 8.054 1.511 1.00 0.00 N ATOM 890 CA LEU A 57 5.277 8.998 1.687 1.00 0.00 C ATOM 891 C LEU A 57 5.725 10.208 2.500 1.00 0.00 C ATOM 892 O LEU A 57 5.619 11.347 2.046 1.00 0.00 O ATOM 893 CB LEU A 57 4.095 8.314 2.376 1.00 0.00 C ATOM 894 CG LEU A 57 3.080 9.242 3.045 1.00 0.00 C ATOM 895 CD1 LEU A 57 1.694 8.616 3.026 1.00 0.00 C ATOM 896 CD2 LEU A 57 3.505 9.557 4.472 1.00 0.00 C ATOM 0 H LEU A 57 6.209 7.134 1.919 1.00 0.00 H new ATOM 0 HA LEU A 57 4.964 9.342 0.701 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.571 7.707 1.637 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.485 7.631 3.130 1.00 0.00 H new ATOM 0 HG LEU A 57 3.044 10.176 2.484 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.984 9.289 3.506 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.388 8.441 1.995 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.715 7.668 3.564 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.771 10.218 4.933 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.570 8.632 5.045 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.479 10.047 4.462 1.00 0.00 H new ATOM 908 N GLU A 58 6.226 9.952 3.705 1.00 0.00 N ATOM 909 CA GLU A 58 6.691 11.021 4.581 1.00 0.00 C ATOM 910 C GLU A 58 7.783 11.843 3.904 1.00 0.00 C ATOM 911 O GLU A 58 8.043 12.983 4.285 1.00 0.00 O ATOM 912 CB GLU A 58 7.215 10.441 5.896 1.00 0.00 C ATOM 913 CG GLU A 58 8.220 9.318 5.708 1.00 0.00 C ATOM 914 CD GLU A 58 9.651 9.817 5.655 1.00 0.00 C ATOM 915 OE1 GLU A 58 9.848 11.032 5.442 1.00 0.00 O ATOM 916 OE2 GLU A 58 10.574 8.994 5.826 1.00 0.00 O ATOM 0 H GLU A 58 6.320 9.015 4.096 1.00 0.00 H new ATOM 0 HA GLU A 58 5.846 11.676 4.792 1.00 0.00 H new ATOM 0 HB2 GLU A 58 7.679 11.239 6.476 1.00 0.00 H new ATOM 0 HB3 GLU A 58 6.373 10.070 6.481 1.00 0.00 H new ATOM 0 HG2 GLU A 58 8.118 8.604 6.525 1.00 0.00 H new ATOM 0 HG3 GLU A 58 7.992 8.782 4.787 1.00 0.00 H new ATOM 923 N ALA A 59 8.420 11.254 2.897 1.00 0.00 N ATOM 924 CA ALA A 59 9.483 11.931 2.165 1.00 0.00 C ATOM 925 C ALA A 59 8.915 12.801 1.049 1.00 0.00 C ATOM 926 O ALA A 59 9.654 13.306 0.204 1.00 0.00 O ATOM 927 CB ALA A 59 10.464 10.916 1.598 1.00 0.00 C ATOM 0 H ALA A 59 8.218 10.309 2.570 1.00 0.00 H new ATOM 0 HA ALA A 59 10.012 12.581 2.862 1.00 0.00 H new ATOM 0 HB1 ALA A 59 11.252 11.436 1.054 1.00 0.00 H new ATOM 0 HB2 ALA A 59 10.904 10.341 2.413 1.00 0.00 H new ATOM 0 HB3 ALA A 59 9.939 10.242 0.920 1.00 0.00 H new ATOM 933 N TYR A 60 7.597 12.970 1.050 1.00 0.00 N ATOM 934 CA TYR A 60 6.928 13.775 0.036 1.00 0.00 C ATOM 935 C TYR A 60 7.173 13.208 -1.359 1.00 0.00 C ATOM 936 O TYR A 60 7.439 13.948 -2.305 1.00 0.00 O ATOM 937 CB TYR A 60 7.417 15.224 0.101 1.00 0.00 C ATOM 938 CG TYR A 60 6.889 15.987 1.296 1.00 0.00 C ATOM 939 CD1 TYR A 60 7.249 15.627 2.589 1.00 0.00 C ATOM 940 CD2 TYR A 60 6.031 17.067 1.131 1.00 0.00 C ATOM 941 CE1 TYR A 60 6.770 16.320 3.683 1.00 0.00 C ATOM 942 CE2 TYR A 60 5.548 17.767 2.220 1.00 0.00 C ATOM 943 CZ TYR A 60 5.920 17.390 3.494 1.00 0.00 C ATOM 944 OH TYR A 60 5.440 18.084 4.581 1.00 0.00 O ATOM 0 H TYR A 60 6.971 12.560 1.743 1.00 0.00 H new ATOM 0 HA TYR A 60 5.857 13.749 0.237 1.00 0.00 H new ATOM 0 HB2 TYR A 60 8.507 15.230 0.129 1.00 0.00 H new ATOM 0 HB3 TYR A 60 7.118 15.741 -0.811 1.00 0.00 H new ATOM 0 HD1 TYR A 60 7.915 14.791 2.741 1.00 0.00 H new ATOM 0 HD2 TYR A 60 5.737 17.364 0.135 1.00 0.00 H new ATOM 0 HE1 TYR A 60 7.059 16.026 4.681 1.00 0.00 H new ATOM 0 HE2 TYR A 60 4.883 18.605 2.075 1.00 0.00 H new ATOM 0 HH TYR A 60 4.855 18.808 4.275 1.00 0.00 H new ATOM 954 N ARG A 61 7.080 11.887 -1.477 1.00 0.00 N ATOM 955 CA ARG A 61 7.291 11.218 -2.755 1.00 0.00 C ATOM 956 C ARG A 61 5.966 10.992 -3.477 1.00 0.00 C ATOM 957 O ARG A 61 5.928 10.860 -4.700 1.00 0.00 O ATOM 958 CB ARG A 61 8.003 9.881 -2.544 1.00 0.00 C ATOM 959 CG ARG A 61 9.443 10.024 -2.079 1.00 0.00 C ATOM 960 CD ARG A 61 10.280 8.819 -2.481 1.00 0.00 C ATOM 961 NE ARG A 61 11.693 9.159 -2.627 1.00 0.00 N ATOM 962 CZ ARG A 61 12.526 9.292 -1.601 1.00 0.00 C ATOM 963 NH1 ARG A 61 12.090 9.115 -0.362 1.00 0.00 N ATOM 964 NH2 ARG A 61 13.799 9.602 -1.814 1.00 0.00 N ATOM 0 H ARG A 61 6.860 11.260 -0.703 1.00 0.00 H new ATOM 0 HA ARG A 61 7.917 11.862 -3.373 1.00 0.00 H new ATOM 0 HB2 ARG A 61 7.449 9.296 -1.809 1.00 0.00 H new ATOM 0 HB3 ARG A 61 7.986 9.319 -3.478 1.00 0.00 H new ATOM 0 HG2 ARG A 61 9.876 10.928 -2.506 1.00 0.00 H new ATOM 0 HG3 ARG A 61 9.467 10.140 -0.995 1.00 0.00 H new ATOM 0 HD2 ARG A 61 10.171 8.035 -1.731 1.00 0.00 H new ATOM 0 HD3 ARG A 61 9.905 8.415 -3.421 1.00 0.00 H new ATOM 0 HE ARG A 61 12.060 9.302 -3.568 1.00 0.00 H new ATOM 0 HH11 ARG A 61 11.113 8.876 -0.195 1.00 0.00 H new ATOM 0 HH12 ARG A 61 12.732 9.218 0.424 1.00 0.00 H new ATOM 0 HH21 ARG A 61 14.138 9.738 -2.766 1.00 0.00 H new ATOM 0 HH22 ARG A 61 14.438 9.704 -1.025 1.00 0.00 H new ATOM 978 N TYR A 62 4.882 10.949 -2.711 1.00 0.00 N ATOM 979 CA TYR A 62 3.555 10.737 -3.276 1.00 0.00 C ATOM 980 C TYR A 62 2.733 12.022 -3.237 1.00 0.00 C ATOM 981 O TYR A 62 2.350 12.497 -2.167 1.00 0.00 O ATOM 982 CB TYR A 62 2.824 9.629 -2.514 1.00 0.00 C ATOM 983 CG TYR A 62 3.633 8.361 -2.368 1.00 0.00 C ATOM 984 CD1 TYR A 62 4.358 7.848 -3.437 1.00 0.00 C ATOM 985 CD2 TYR A 62 3.673 7.675 -1.160 1.00 0.00 C ATOM 986 CE1 TYR A 62 5.098 6.689 -3.308 1.00 0.00 C ATOM 987 CE2 TYR A 62 4.412 6.515 -1.022 1.00 0.00 C ATOM 988 CZ TYR A 62 5.122 6.026 -2.099 1.00 0.00 C ATOM 989 OH TYR A 62 5.859 4.871 -1.965 1.00 0.00 O ATOM 0 H TYR A 62 4.896 11.058 -1.697 1.00 0.00 H new ATOM 0 HA TYR A 62 3.676 10.436 -4.317 1.00 0.00 H new ATOM 0 HB2 TYR A 62 2.557 9.996 -1.523 1.00 0.00 H new ATOM 0 HB3 TYR A 62 1.892 9.398 -3.030 1.00 0.00 H new ATOM 0 HD1 TYR A 62 4.342 8.365 -4.385 1.00 0.00 H new ATOM 0 HD2 TYR A 62 3.118 8.054 -0.315 1.00 0.00 H new ATOM 0 HE1 TYR A 62 5.655 6.304 -4.149 1.00 0.00 H new ATOM 0 HE2 TYR A 62 4.433 5.994 -0.076 1.00 0.00 H new ATOM 0 HH TYR A 62 5.991 4.463 -2.846 1.00 0.00 H new ATOM 999 N LEU A 63 2.465 12.581 -4.412 1.00 0.00 N ATOM 1000 CA LEU A 63 1.689 13.811 -4.515 1.00 0.00 C ATOM 1001 C LEU A 63 0.294 13.531 -5.065 1.00 0.00 C ATOM 1002 O LEU A 63 -0.637 14.303 -4.846 1.00 0.00 O ATOM 1003 CB LEU A 63 2.410 14.819 -5.412 1.00 0.00 C ATOM 1004 CG LEU A 63 3.904 15.007 -5.145 1.00 0.00 C ATOM 1005 CD1 LEU A 63 4.632 15.384 -6.426 1.00 0.00 C ATOM 1006 CD2 LEU A 63 4.125 16.064 -4.073 1.00 0.00 C ATOM 0 H LEU A 63 2.774 12.201 -5.307 1.00 0.00 H new ATOM 0 HA LEU A 63 1.587 14.232 -3.515 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.283 14.508 -6.449 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.918 15.786 -5.307 1.00 0.00 H new ATOM 0 HG LEU A 63 4.311 14.062 -4.785 1.00 0.00 H new ATOM 0 HD11 LEU A 63 5.694 15.514 -6.216 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.502 14.593 -7.165 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.223 16.316 -6.816 1.00 0.00 H new ATOM 0 HD21 LEU A 63 5.194 16.185 -3.896 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.703 17.013 -4.405 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.637 15.753 -3.149 1.00 0.00 H new ATOM 1018 N ASN A 64 0.158 12.419 -5.780 1.00 0.00 N ATOM 1019 CA ASN A 64 -1.124 12.035 -6.361 1.00 0.00 C ATOM 1020 C ASN A 64 -1.610 10.711 -5.779 1.00 0.00 C ATOM 1021 O ASN A 64 -0.845 9.753 -5.666 1.00 0.00 O ATOM 1022 CB ASN A 64 -1.005 11.924 -7.882 1.00 0.00 C ATOM 1023 CG ASN A 64 -0.333 13.135 -8.499 1.00 0.00 C ATOM 1024 OD1 ASN A 64 -0.994 14.000 -9.074 1.00 0.00 O ATOM 1025 ND2 ASN A 64 0.988 13.202 -8.383 1.00 0.00 N ATOM 0 H ASN A 64 0.920 11.768 -5.971 1.00 0.00 H new ATOM 0 HA ASN A 64 -1.852 12.808 -6.116 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -0.437 11.029 -8.135 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -1.999 11.804 -8.314 1.00 0.00 H new ATOM 0 HD21 ASN A 64 1.495 13.993 -8.779 1.00 0.00 H new ATOM 0 HD22 ASN A 64 1.496 12.462 -7.898 1.00 0.00 H new ATOM 1032 N PHE A 65 -2.886 10.665 -5.412 1.00 0.00 N ATOM 1033 CA PHE A 65 -3.474 9.459 -4.841 1.00 0.00 C ATOM 1034 C PHE A 65 -3.021 8.219 -5.606 1.00 0.00 C ATOM 1035 O PHE A 65 -2.776 7.167 -5.015 1.00 0.00 O ATOM 1036 CB PHE A 65 -5.001 9.553 -4.860 1.00 0.00 C ATOM 1037 CG PHE A 65 -5.675 8.540 -3.979 1.00 0.00 C ATOM 1038 CD1 PHE A 65 -5.815 7.226 -4.393 1.00 0.00 C ATOM 1039 CD2 PHE A 65 -6.169 8.904 -2.736 1.00 0.00 C ATOM 1040 CE1 PHE A 65 -6.435 6.292 -3.584 1.00 0.00 C ATOM 1041 CE2 PHE A 65 -6.789 7.975 -1.923 1.00 0.00 C ATOM 1042 CZ PHE A 65 -6.923 6.667 -2.348 1.00 0.00 C ATOM 0 H PHE A 65 -3.533 11.449 -5.500 1.00 0.00 H new ATOM 0 HA PHE A 65 -3.134 9.373 -3.809 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -5.299 10.553 -4.545 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -5.352 9.423 -5.884 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -5.435 6.927 -5.359 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -6.068 9.925 -2.399 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -6.538 5.270 -3.918 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -7.169 8.271 -0.956 1.00 0.00 H new ATOM 0 HZ PHE A 65 -7.409 5.939 -1.715 1.00 0.00 H new ATOM 1052 N ASP A 66 -2.911 8.350 -6.923 1.00 0.00 N ATOM 1053 CA ASP A 66 -2.488 7.241 -7.770 1.00 0.00 C ATOM 1054 C ASP A 66 -1.144 6.688 -7.308 1.00 0.00 C ATOM 1055 O ASP A 66 -0.942 5.474 -7.266 1.00 0.00 O ATOM 1056 CB ASP A 66 -2.392 7.693 -9.228 1.00 0.00 C ATOM 1057 CG ASP A 66 -3.753 7.821 -9.885 1.00 0.00 C ATOM 1058 OD1 ASP A 66 -4.448 8.824 -9.619 1.00 0.00 O ATOM 1059 OD2 ASP A 66 -4.122 6.919 -10.666 1.00 0.00 O ATOM 0 H ASP A 66 -3.109 9.214 -7.428 1.00 0.00 H new ATOM 0 HA ASP A 66 -3.234 6.450 -7.691 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -1.877 8.653 -9.275 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -1.787 6.979 -9.788 1.00 0.00 H new ATOM 1064 N ASP A 67 -0.226 7.585 -6.963 1.00 0.00 N ATOM 1065 CA ASP A 67 1.098 7.186 -6.503 1.00 0.00 C ATOM 1066 C ASP A 67 1.010 6.425 -5.184 1.00 0.00 C ATOM 1067 O ASP A 67 1.407 5.263 -5.099 1.00 0.00 O ATOM 1068 CB ASP A 67 1.995 8.415 -6.338 1.00 0.00 C ATOM 1069 CG ASP A 67 2.491 8.952 -7.666 1.00 0.00 C ATOM 1070 OD1 ASP A 67 3.035 8.157 -8.461 1.00 0.00 O ATOM 1071 OD2 ASP A 67 2.338 10.167 -7.910 1.00 0.00 O ATOM 0 H ASP A 67 -0.375 8.594 -6.994 1.00 0.00 H new ATOM 0 HA ASP A 67 1.532 6.526 -7.254 1.00 0.00 H new ATOM 0 HB2 ASP A 67 1.443 9.197 -5.817 1.00 0.00 H new ATOM 0 HB3 ASP A 67 2.849 8.156 -5.712 1.00 0.00 H new ATOM 1076 N PHE A 68 0.488 7.088 -4.158 1.00 0.00 N ATOM 1077 CA PHE A 68 0.349 6.475 -2.842 1.00 0.00 C ATOM 1078 C PHE A 68 -0.290 5.093 -2.951 1.00 0.00 C ATOM 1079 O PHE A 68 0.168 4.136 -2.327 1.00 0.00 O ATOM 1080 CB PHE A 68 -0.491 7.366 -1.926 1.00 0.00 C ATOM 1081 CG PHE A 68 -0.876 6.705 -0.634 1.00 0.00 C ATOM 1082 CD1 PHE A 68 -0.049 6.789 0.476 1.00 0.00 C ATOM 1083 CD2 PHE A 68 -2.064 6.001 -0.527 1.00 0.00 C ATOM 1084 CE1 PHE A 68 -0.401 6.181 1.665 1.00 0.00 C ATOM 1085 CE2 PHE A 68 -2.421 5.390 0.660 1.00 0.00 C ATOM 1086 CZ PHE A 68 -1.588 5.481 1.759 1.00 0.00 C ATOM 0 H PHE A 68 0.154 8.050 -4.212 1.00 0.00 H new ATOM 0 HA PHE A 68 1.345 6.364 -2.414 1.00 0.00 H new ATOM 0 HB2 PHE A 68 0.067 8.276 -1.707 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -1.396 7.666 -2.455 1.00 0.00 H new ATOM 0 HD1 PHE A 68 0.880 7.336 0.410 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -2.720 5.929 -1.382 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.252 6.253 2.522 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -3.349 4.842 0.729 1.00 0.00 H new ATOM 0 HZ PHE A 68 -1.864 5.006 2.689 1.00 0.00 H new ATOM 1096 N GLU A 69 -1.350 4.999 -3.748 1.00 0.00 N ATOM 1097 CA GLU A 69 -2.052 3.735 -3.937 1.00 0.00 C ATOM 1098 C GLU A 69 -1.172 2.729 -4.674 1.00 0.00 C ATOM 1099 O GLU A 69 -1.009 1.592 -4.233 1.00 0.00 O ATOM 1100 CB GLU A 69 -3.351 3.959 -4.714 1.00 0.00 C ATOM 1101 CG GLU A 69 -4.000 2.674 -5.199 1.00 0.00 C ATOM 1102 CD GLU A 69 -5.113 2.923 -6.198 1.00 0.00 C ATOM 1103 OE1 GLU A 69 -5.869 3.899 -6.014 1.00 0.00 O ATOM 1104 OE2 GLU A 69 -5.226 2.141 -7.167 1.00 0.00 O ATOM 0 H GLU A 69 -1.741 5.782 -4.272 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.291 3.330 -2.953 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.056 4.495 -4.079 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.145 4.599 -5.572 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.242 2.039 -5.657 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -4.400 2.128 -4.344 1.00 0.00 H new ATOM 1111 N GLU A 70 -0.609 3.157 -5.800 1.00 0.00 N ATOM 1112 CA GLU A 70 0.252 2.294 -6.598 1.00 0.00 C ATOM 1113 C GLU A 70 1.133 1.425 -5.704 1.00 0.00 C ATOM 1114 O GLU A 70 1.172 0.203 -5.849 1.00 0.00 O ATOM 1115 CB GLU A 70 1.126 3.132 -7.534 1.00 0.00 C ATOM 1116 CG GLU A 70 2.180 2.322 -8.270 1.00 0.00 C ATOM 1117 CD GLU A 70 2.521 2.906 -9.627 1.00 0.00 C ATOM 1118 OE1 GLU A 70 3.419 3.772 -9.691 1.00 0.00 O ATOM 1119 OE2 GLU A 70 1.892 2.498 -10.626 1.00 0.00 O ATOM 0 H GLU A 70 -0.734 4.096 -6.179 1.00 0.00 H new ATOM 0 HA GLU A 70 -0.385 1.641 -7.195 1.00 0.00 H new ATOM 0 HB2 GLU A 70 0.488 3.631 -8.264 1.00 0.00 H new ATOM 0 HB3 GLU A 70 1.619 3.913 -6.955 1.00 0.00 H new ATOM 0 HG2 GLU A 70 3.084 2.271 -7.663 1.00 0.00 H new ATOM 0 HG3 GLU A 70 1.824 1.300 -8.397 1.00 0.00 H new ATOM 1126 N ASP A 71 1.839 2.066 -4.779 1.00 0.00 N ATOM 1127 CA ASP A 71 2.720 1.355 -3.860 1.00 0.00 C ATOM 1128 C ASP A 71 1.973 0.227 -3.156 1.00 0.00 C ATOM 1129 O ASP A 71 2.385 -0.932 -3.208 1.00 0.00 O ATOM 1130 CB ASP A 71 3.303 2.320 -2.827 1.00 0.00 C ATOM 1131 CG ASP A 71 3.933 3.542 -3.466 1.00 0.00 C ATOM 1132 OD1 ASP A 71 5.061 3.423 -3.988 1.00 0.00 O ATOM 1133 OD2 ASP A 71 3.297 4.618 -3.445 1.00 0.00 O ATOM 0 H ASP A 71 1.818 3.077 -4.646 1.00 0.00 H new ATOM 0 HA ASP A 71 3.535 0.922 -4.440 1.00 0.00 H new ATOM 0 HB2 ASP A 71 2.514 2.637 -2.144 1.00 0.00 H new ATOM 0 HB3 ASP A 71 4.052 1.799 -2.230 1.00 0.00 H new ATOM 1138 N PHE A 72 0.872 0.573 -2.497 1.00 0.00 N ATOM 1139 CA PHE A 72 0.068 -0.409 -1.781 1.00 0.00 C ATOM 1140 C PHE A 72 -0.259 -1.602 -2.675 1.00 0.00 C ATOM 1141 O PHE A 72 -0.181 -2.752 -2.247 1.00 0.00 O ATOM 1142 CB PHE A 72 -1.225 0.231 -1.273 1.00 0.00 C ATOM 1143 CG PHE A 72 -2.271 -0.769 -0.868 1.00 0.00 C ATOM 1144 CD1 PHE A 72 -3.127 -1.315 -1.810 1.00 0.00 C ATOM 1145 CD2 PHE A 72 -2.397 -1.163 0.454 1.00 0.00 C ATOM 1146 CE1 PHE A 72 -4.090 -2.235 -1.442 1.00 0.00 C ATOM 1147 CE2 PHE A 72 -3.359 -2.083 0.829 1.00 0.00 C ATOM 1148 CZ PHE A 72 -4.206 -2.620 -0.120 1.00 0.00 C ATOM 0 H PHE A 72 0.516 1.528 -2.444 1.00 0.00 H new ATOM 0 HA PHE A 72 0.648 -0.764 -0.929 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -0.994 0.869 -0.420 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -1.632 0.875 -2.052 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -3.041 -1.018 -2.845 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -1.736 -0.747 1.200 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -4.751 -2.653 -2.187 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -3.448 -2.381 1.863 1.00 0.00 H new ATOM 0 HZ PHE A 72 -4.957 -3.339 0.170 1.00 0.00 H new ATOM 1158 N ASN A 73 -0.625 -1.316 -3.921 1.00 0.00 N ATOM 1159 CA ASN A 73 -0.964 -2.364 -4.876 1.00 0.00 C ATOM 1160 C ASN A 73 0.150 -3.401 -4.967 1.00 0.00 C ATOM 1161 O ASN A 73 -0.078 -4.593 -4.760 1.00 0.00 O ATOM 1162 CB ASN A 73 -1.225 -1.758 -6.258 1.00 0.00 C ATOM 1163 CG ASN A 73 -2.394 -0.792 -6.254 1.00 0.00 C ATOM 1164 OD1 ASN A 73 -3.288 -0.884 -5.412 1.00 0.00 O ATOM 1165 ND2 ASN A 73 -2.392 0.142 -7.198 1.00 0.00 N ATOM 0 H ASN A 73 -0.694 -0.368 -4.292 1.00 0.00 H new ATOM 0 HA ASN A 73 -1.869 -2.860 -4.525 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -0.329 -1.239 -6.599 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -1.421 -2.558 -6.972 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -3.152 0.821 -7.246 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -1.630 0.181 -7.875 1.00 0.00 H new ATOM 1172 N LEU A 74 1.357 -2.939 -5.275 1.00 0.00 N ATOM 1173 CA LEU A 74 2.509 -3.826 -5.392 1.00 0.00 C ATOM 1174 C LEU A 74 2.547 -4.824 -4.239 1.00 0.00 C ATOM 1175 O LEU A 74 2.649 -6.032 -4.454 1.00 0.00 O ATOM 1176 CB LEU A 74 3.804 -3.012 -5.420 1.00 0.00 C ATOM 1177 CG LEU A 74 4.084 -2.241 -6.711 1.00 0.00 C ATOM 1178 CD1 LEU A 74 5.303 -1.347 -6.544 1.00 0.00 C ATOM 1179 CD2 LEU A 74 4.280 -3.202 -7.874 1.00 0.00 C ATOM 0 H LEU A 74 1.563 -1.955 -5.448 1.00 0.00 H new ATOM 0 HA LEU A 74 2.416 -4.381 -6.326 1.00 0.00 H new ATOM 0 HB2 LEU A 74 3.781 -2.301 -4.594 1.00 0.00 H new ATOM 0 HB3 LEU A 74 4.639 -3.688 -5.236 1.00 0.00 H new ATOM 0 HG LEU A 74 3.223 -1.610 -6.929 1.00 0.00 H new ATOM 0 HD11 LEU A 74 5.487 -0.806 -7.472 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.124 -0.635 -5.738 1.00 0.00 H new ATOM 0 HD13 LEU A 74 6.172 -1.958 -6.302 1.00 0.00 H new ATOM 0 HD21 LEU A 74 4.478 -2.636 -8.784 1.00 0.00 H new ATOM 0 HD22 LEU A 74 5.124 -3.859 -7.665 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.379 -3.800 -8.008 1.00 0.00 H new ATOM 1191 N ILE A 75 2.463 -4.311 -3.017 1.00 0.00 N ATOM 1192 CA ILE A 75 2.484 -5.157 -1.830 1.00 0.00 C ATOM 1193 C ILE A 75 1.661 -6.424 -2.044 1.00 0.00 C ATOM 1194 O ILE A 75 2.108 -7.527 -1.728 1.00 0.00 O ATOM 1195 CB ILE A 75 1.944 -4.410 -0.595 1.00 0.00 C ATOM 1196 CG1 ILE A 75 2.788 -3.165 -0.316 1.00 0.00 C ATOM 1197 CG2 ILE A 75 1.929 -5.330 0.615 1.00 0.00 C ATOM 1198 CD1 ILE A 75 2.230 -2.291 0.785 1.00 0.00 C ATOM 0 H ILE A 75 2.380 -3.313 -2.822 1.00 0.00 H new ATOM 0 HA ILE A 75 3.525 -5.427 -1.654 1.00 0.00 H new ATOM 0 HB ILE A 75 0.921 -4.093 -0.798 1.00 0.00 H new ATOM 0 HG12 ILE A 75 3.798 -3.474 -0.047 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.867 -2.577 -1.231 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.545 -4.788 1.479 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.289 -6.189 0.411 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.942 -5.674 0.823 1.00 0.00 H new ATOM 0 HD11 ILE A 75 2.879 -1.427 0.928 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.231 -1.952 0.510 1.00 0.00 H new ATOM 0 HD13 ILE A 75 2.177 -2.863 1.712 1.00 0.00 H new ATOM 1210 N VAL A 76 0.458 -6.258 -2.583 1.00 0.00 N ATOM 1211 CA VAL A 76 -0.426 -7.388 -2.841 1.00 0.00 C ATOM 1212 C VAL A 76 0.001 -8.143 -4.095 1.00 0.00 C ATOM 1213 O VAL A 76 0.166 -9.362 -4.072 1.00 0.00 O ATOM 1214 CB VAL A 76 -1.887 -6.931 -3.004 1.00 0.00 C ATOM 1215 CG1 VAL A 76 -2.784 -8.115 -3.333 1.00 0.00 C ATOM 1216 CG2 VAL A 76 -2.367 -6.224 -1.745 1.00 0.00 C ATOM 0 H VAL A 76 0.073 -5.352 -2.850 1.00 0.00 H new ATOM 0 HA VAL A 76 -0.354 -8.050 -1.978 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.938 -6.225 -3.833 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.813 -7.772 -3.444 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.452 -8.575 -4.264 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -2.731 -8.847 -2.527 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.402 -5.908 -1.877 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.302 -6.906 -0.897 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -1.742 -5.351 -1.557 1.00 0.00 H new ATOM 1226 N SER A 77 0.178 -7.410 -5.190 1.00 0.00 N ATOM 1227 CA SER A 77 0.582 -8.010 -6.456 1.00 0.00 C ATOM 1228 C SER A 77 1.881 -8.795 -6.294 1.00 0.00 C ATOM 1229 O SER A 77 1.903 -10.017 -6.437 1.00 0.00 O ATOM 1230 CB SER A 77 0.755 -6.931 -7.525 1.00 0.00 C ATOM 1231 OG SER A 77 -0.371 -6.071 -7.569 1.00 0.00 O ATOM 0 H SER A 77 0.048 -6.399 -5.226 1.00 0.00 H new ATOM 0 HA SER A 77 -0.202 -8.698 -6.770 1.00 0.00 H new ATOM 0 HB2 SER A 77 1.653 -6.349 -7.317 1.00 0.00 H new ATOM 0 HB3 SER A 77 0.897 -7.399 -8.499 1.00 0.00 H new ATOM 0 HG SER A 77 -0.235 -5.389 -8.259 1.00 0.00 H new ATOM 1237 N ASN A 78 2.962 -8.082 -5.995 1.00 0.00 N ATOM 1238 CA ASN A 78 4.266 -8.710 -5.815 1.00 0.00 C ATOM 1239 C ASN A 78 4.137 -10.017 -5.040 1.00 0.00 C ATOM 1240 O ASN A 78 4.891 -10.964 -5.268 1.00 0.00 O ATOM 1241 CB ASN A 78 5.215 -7.760 -5.081 1.00 0.00 C ATOM 1242 CG ASN A 78 5.737 -6.656 -5.980 1.00 0.00 C ATOM 1243 OD1 ASN A 78 5.899 -6.846 -7.186 1.00 0.00 O ATOM 1244 ND2 ASN A 78 6.004 -5.493 -5.396 1.00 0.00 N ATOM 0 H ASN A 78 2.961 -7.069 -5.872 1.00 0.00 H new ATOM 0 HA ASN A 78 4.675 -8.932 -6.801 1.00 0.00 H new ATOM 0 HB2 ASN A 78 4.696 -7.318 -4.231 1.00 0.00 H new ATOM 0 HB3 ASN A 78 6.056 -8.327 -4.681 1.00 0.00 H new ATOM 0 HD21 ASN A 78 6.358 -4.713 -5.950 1.00 0.00 H new ATOM 0 HD22 ASN A 78 5.855 -5.380 -4.393 1.00 0.00 H new ATOM 1251 N CYS A 79 3.177 -10.063 -4.122 1.00 0.00 N ATOM 1252 CA CYS A 79 2.949 -11.254 -3.312 1.00 0.00 C ATOM 1253 C CYS A 79 2.222 -12.328 -4.116 1.00 0.00 C ATOM 1254 O CYS A 79 2.560 -13.510 -4.042 1.00 0.00 O ATOM 1255 CB CYS A 79 2.141 -10.901 -2.063 1.00 0.00 C ATOM 1256 SG CYS A 79 2.273 -12.115 -0.729 1.00 0.00 S ATOM 0 H CYS A 79 2.544 -9.289 -3.920 1.00 0.00 H new ATOM 0 HA CYS A 79 3.919 -11.647 -3.009 1.00 0.00 H new ATOM 0 HB2 CYS A 79 2.472 -9.931 -1.691 1.00 0.00 H new ATOM 0 HB3 CYS A 79 1.092 -10.795 -2.340 1.00 0.00 H new ATOM 0 HG CYS A 79 1.237 -12.018 0.050 1.00 0.00 H new ATOM 1262 N LEU A 80 1.221 -11.909 -4.883 1.00 0.00 N ATOM 1263 CA LEU A 80 0.444 -12.834 -5.699 1.00 0.00 C ATOM 1264 C LEU A 80 1.235 -13.270 -6.929 1.00 0.00 C ATOM 1265 O LEU A 80 0.881 -14.243 -7.596 1.00 0.00 O ATOM 1266 CB LEU A 80 -0.872 -12.185 -6.129 1.00 0.00 C ATOM 1267 CG LEU A 80 -1.739 -11.616 -5.005 1.00 0.00 C ATOM 1268 CD1 LEU A 80 -2.659 -10.529 -5.537 1.00 0.00 C ATOM 1269 CD2 LEU A 80 -2.546 -12.723 -4.342 1.00 0.00 C ATOM 0 H LEU A 80 0.929 -10.934 -4.956 1.00 0.00 H new ATOM 0 HA LEU A 80 0.226 -13.716 -5.097 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.646 -11.380 -6.829 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.458 -12.925 -6.673 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.083 -11.173 -4.256 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.268 -10.137 -4.722 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.062 -9.724 -5.964 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.308 -10.946 -6.307 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.157 -12.300 -3.545 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.192 -13.196 -5.082 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.868 -13.467 -3.924 1.00 0.00 H new ATOM 1281 N LYS A 81 2.307 -12.543 -7.225 1.00 0.00 N ATOM 1282 CA LYS A 81 3.151 -12.856 -8.372 1.00 0.00 C ATOM 1283 C LYS A 81 4.328 -13.734 -7.959 1.00 0.00 C ATOM 1284 O LYS A 81 4.876 -14.477 -8.773 1.00 0.00 O ATOM 1285 CB LYS A 81 3.665 -11.568 -9.019 1.00 0.00 C ATOM 1286 CG LYS A 81 5.009 -11.727 -9.707 1.00 0.00 C ATOM 1287 CD LYS A 81 5.326 -10.534 -10.594 1.00 0.00 C ATOM 1288 CE LYS A 81 6.329 -10.898 -11.678 1.00 0.00 C ATOM 1289 NZ LYS A 81 5.661 -11.449 -12.890 1.00 0.00 N ATOM 0 H LYS A 81 2.612 -11.732 -6.686 1.00 0.00 H new ATOM 0 HA LYS A 81 2.548 -13.404 -9.096 1.00 0.00 H new ATOM 0 HB2 LYS A 81 2.933 -11.220 -9.747 1.00 0.00 H new ATOM 0 HB3 LYS A 81 3.747 -10.795 -8.255 1.00 0.00 H new ATOM 0 HG2 LYS A 81 5.791 -11.842 -8.957 1.00 0.00 H new ATOM 0 HG3 LYS A 81 5.006 -12.637 -10.307 1.00 0.00 H new ATOM 0 HD2 LYS A 81 4.408 -10.167 -11.054 1.00 0.00 H new ATOM 0 HD3 LYS A 81 5.724 -9.722 -9.985 1.00 0.00 H new ATOM 0 HE2 LYS A 81 6.905 -10.014 -11.951 1.00 0.00 H new ATOM 0 HE3 LYS A 81 7.035 -11.631 -11.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 6.379 -11.685 -13.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 5.132 -12.307 -12.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 5.006 -10.741 -13.278 1.00 0.00 H new ATOM 1303 N TYR A 82 4.711 -13.644 -6.691 1.00 0.00 N ATOM 1304 CA TYR A 82 5.823 -14.430 -6.170 1.00 0.00 C ATOM 1305 C TYR A 82 5.360 -15.823 -5.757 1.00 0.00 C ATOM 1306 O TYR A 82 5.892 -16.830 -6.224 1.00 0.00 O ATOM 1307 CB TYR A 82 6.462 -13.718 -4.976 1.00 0.00 C ATOM 1308 CG TYR A 82 7.870 -14.183 -4.677 1.00 0.00 C ATOM 1309 CD1 TYR A 82 8.847 -14.186 -5.665 1.00 0.00 C ATOM 1310 CD2 TYR A 82 8.223 -14.620 -3.405 1.00 0.00 C ATOM 1311 CE1 TYR A 82 10.134 -14.610 -5.396 1.00 0.00 C ATOM 1312 CE2 TYR A 82 9.508 -15.044 -3.128 1.00 0.00 C ATOM 1313 CZ TYR A 82 10.459 -15.038 -4.126 1.00 0.00 C ATOM 1314 OH TYR A 82 11.741 -15.461 -3.854 1.00 0.00 O ATOM 0 H TYR A 82 4.268 -13.034 -6.004 1.00 0.00 H new ATOM 0 HA TYR A 82 6.564 -14.534 -6.963 1.00 0.00 H new ATOM 0 HB2 TYR A 82 6.476 -12.645 -5.168 1.00 0.00 H new ATOM 0 HB3 TYR A 82 5.841 -13.876 -4.094 1.00 0.00 H new ATOM 0 HD1 TYR A 82 8.596 -13.851 -6.661 1.00 0.00 H new ATOM 0 HD2 TYR A 82 7.480 -14.628 -2.621 1.00 0.00 H new ATOM 0 HE1 TYR A 82 10.881 -14.606 -6.176 1.00 0.00 H new ATOM 0 HE2 TYR A 82 9.767 -15.379 -2.134 1.00 0.00 H new ATOM 0 HH TYR A 82 12.376 -14.949 -4.397 1.00 0.00 H new ATOM 1324 N ASN A 83 4.364 -15.872 -4.878 1.00 0.00 N ATOM 1325 CA ASN A 83 3.827 -17.142 -4.402 1.00 0.00 C ATOM 1326 C ASN A 83 2.435 -17.393 -4.973 1.00 0.00 C ATOM 1327 O ASN A 83 1.943 -16.621 -5.795 1.00 0.00 O ATOM 1328 CB ASN A 83 3.773 -17.155 -2.873 1.00 0.00 C ATOM 1329 CG ASN A 83 5.009 -16.538 -2.246 1.00 0.00 C ATOM 1330 OD1 ASN A 83 6.060 -17.174 -2.165 1.00 0.00 O ATOM 1331 ND2 ASN A 83 4.886 -15.295 -1.797 1.00 0.00 N ATOM 0 H ASN A 83 3.913 -15.048 -4.481 1.00 0.00 H new ATOM 0 HA ASN A 83 4.489 -17.938 -4.743 1.00 0.00 H new ATOM 0 HB2 ASN A 83 2.889 -16.611 -2.539 1.00 0.00 H new ATOM 0 HB3 ASN A 83 3.666 -18.182 -2.525 1.00 0.00 H new ATOM 0 HD21 ASN A 83 5.683 -14.828 -1.363 1.00 0.00 H new ATOM 0 HD22 ASN A 83 3.995 -14.807 -1.886 1.00 0.00 H new ATOM 1338 N ALA A 84 1.806 -18.478 -4.531 1.00 0.00 N ATOM 1339 CA ALA A 84 0.471 -18.828 -4.996 1.00 0.00 C ATOM 1340 C ALA A 84 -0.522 -18.864 -3.839 1.00 0.00 C ATOM 1341 O ALA A 84 -0.183 -18.521 -2.705 1.00 0.00 O ATOM 1342 CB ALA A 84 0.497 -20.171 -5.712 1.00 0.00 C ATOM 0 H ALA A 84 2.200 -19.129 -3.852 1.00 0.00 H new ATOM 0 HA ALA A 84 0.145 -18.060 -5.697 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -0.507 -20.420 -6.054 1.00 0.00 H new ATOM 0 HB2 ALA A 84 1.169 -20.114 -6.569 1.00 0.00 H new ATOM 0 HB3 ALA A 84 0.848 -20.942 -5.026 1.00 0.00 H new ATOM 1348 N LYS A 85 -1.749 -19.282 -4.129 1.00 0.00 N ATOM 1349 CA LYS A 85 -2.792 -19.363 -3.114 1.00 0.00 C ATOM 1350 C LYS A 85 -2.439 -20.402 -2.054 1.00 0.00 C ATOM 1351 O LYS A 85 -3.034 -20.431 -0.977 1.00 0.00 O ATOM 1352 CB LYS A 85 -4.135 -19.714 -3.758 1.00 0.00 C ATOM 1353 CG LYS A 85 -4.592 -18.705 -4.799 1.00 0.00 C ATOM 1354 CD LYS A 85 -4.101 -19.075 -6.188 1.00 0.00 C ATOM 1355 CE LYS A 85 -4.986 -18.475 -7.270 1.00 0.00 C ATOM 1356 NZ LYS A 85 -6.433 -18.663 -6.970 1.00 0.00 N ATOM 0 H LYS A 85 -2.046 -19.571 -5.061 1.00 0.00 H new ATOM 0 HA LYS A 85 -2.871 -18.388 -2.632 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -4.059 -20.696 -4.225 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -4.894 -19.789 -2.979 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -5.681 -18.650 -4.800 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -4.223 -17.714 -4.534 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -3.077 -18.725 -6.318 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -4.083 -20.160 -6.292 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -4.770 -17.411 -7.367 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -4.751 -18.937 -8.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -6.975 -18.662 -7.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -6.571 -19.570 -6.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -6.765 -17.888 -6.361 1.00 0.00 H new ATOM 1370 N ASP A 86 -1.466 -21.252 -2.365 1.00 0.00 N ATOM 1371 CA ASP A 86 -1.032 -22.290 -1.438 1.00 0.00 C ATOM 1372 C ASP A 86 -0.244 -21.688 -0.279 1.00 0.00 C ATOM 1373 O ASP A 86 -0.225 -22.237 0.824 1.00 0.00 O ATOM 1374 CB ASP A 86 -0.178 -23.328 -2.167 1.00 0.00 C ATOM 1375 CG ASP A 86 -0.033 -24.616 -1.378 1.00 0.00 C ATOM 1376 OD1 ASP A 86 -0.114 -24.561 -0.133 1.00 0.00 O ATOM 1377 OD2 ASP A 86 0.159 -25.677 -2.006 1.00 0.00 O ATOM 0 H ASP A 86 -0.963 -21.242 -3.252 1.00 0.00 H new ATOM 0 HA ASP A 86 -1.919 -22.778 -1.035 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -0.626 -23.547 -3.136 1.00 0.00 H new ATOM 0 HB3 ASP A 86 0.810 -22.910 -2.360 1.00 0.00 H new ATOM 1382 N THR A 87 0.405 -20.557 -0.535 1.00 0.00 N ATOM 1383 CA THR A 87 1.196 -19.882 0.487 1.00 0.00 C ATOM 1384 C THR A 87 0.327 -18.958 1.334 1.00 0.00 C ATOM 1385 O THR A 87 -0.804 -18.644 0.963 1.00 0.00 O ATOM 1386 CB THR A 87 2.340 -19.062 -0.139 1.00 0.00 C ATOM 1387 OG1 THR A 87 1.805 -18.084 -1.040 1.00 0.00 O ATOM 1388 CG2 THR A 87 3.311 -19.967 -0.882 1.00 0.00 C ATOM 0 H THR A 87 0.399 -20.089 -1.441 1.00 0.00 H new ATOM 0 HA THR A 87 1.621 -20.659 1.122 1.00 0.00 H new ATOM 0 HB THR A 87 2.879 -18.559 0.664 1.00 0.00 H new ATOM 0 HG1 THR A 87 1.343 -18.536 -1.777 1.00 0.00 H new ATOM 0 HG21 THR A 87 4.110 -19.365 -1.315 1.00 0.00 H new ATOM 0 HG22 THR A 87 3.738 -20.691 -0.188 1.00 0.00 H new ATOM 0 HG23 THR A 87 2.782 -20.494 -1.676 1.00 0.00 H new ATOM 1396 N ILE A 88 0.864 -18.526 2.469 1.00 0.00 N ATOM 1397 CA ILE A 88 0.138 -17.636 3.367 1.00 0.00 C ATOM 1398 C ILE A 88 0.130 -16.206 2.837 1.00 0.00 C ATOM 1399 O ILE A 88 -0.921 -15.666 2.493 1.00 0.00 O ATOM 1400 CB ILE A 88 0.747 -17.643 4.781 1.00 0.00 C ATOM 1401 CG1 ILE A 88 0.185 -18.810 5.596 1.00 0.00 C ATOM 1402 CG2 ILE A 88 0.474 -16.320 5.482 1.00 0.00 C ATOM 1403 CD1 ILE A 88 0.563 -18.761 7.060 1.00 0.00 C ATOM 0 H ILE A 88 1.799 -18.777 2.789 1.00 0.00 H new ATOM 0 HA ILE A 88 -0.885 -18.008 3.419 1.00 0.00 H new ATOM 0 HB ILE A 88 1.826 -17.770 4.695 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -0.902 -18.813 5.509 1.00 0.00 H new ATOM 0 HG13 ILE A 88 0.542 -19.747 5.168 1.00 0.00 H new ATOM 0 HG21 ILE A 88 0.911 -16.340 6.480 1.00 0.00 H new ATOM 0 HG22 ILE A 88 0.918 -15.506 4.909 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.602 -16.165 5.560 1.00 0.00 H new ATOM 0 HD11 ILE A 88 0.131 -19.618 7.576 1.00 0.00 H new ATOM 0 HD12 ILE A 88 1.648 -18.789 7.157 1.00 0.00 H new ATOM 0 HD13 ILE A 88 0.183 -17.841 7.503 1.00 0.00 H new ATOM 1415 N PHE A 89 1.310 -15.599 2.770 1.00 0.00 N ATOM 1416 CA PHE A 89 1.440 -14.233 2.280 1.00 0.00 C ATOM 1417 C PHE A 89 0.487 -13.979 1.116 1.00 0.00 C ATOM 1418 O PHE A 89 0.075 -12.845 0.872 1.00 0.00 O ATOM 1419 CB PHE A 89 2.880 -13.959 1.843 1.00 0.00 C ATOM 1420 CG PHE A 89 3.905 -14.698 2.657 1.00 0.00 C ATOM 1421 CD1 PHE A 89 3.820 -14.725 4.040 1.00 0.00 C ATOM 1422 CD2 PHE A 89 4.950 -15.366 2.040 1.00 0.00 C ATOM 1423 CE1 PHE A 89 4.762 -15.404 4.792 1.00 0.00 C ATOM 1424 CE2 PHE A 89 5.893 -16.046 2.786 1.00 0.00 C ATOM 1425 CZ PHE A 89 5.799 -16.066 4.163 1.00 0.00 C ATOM 0 H PHE A 89 2.190 -16.032 3.049 1.00 0.00 H new ATOM 0 HA PHE A 89 1.180 -13.557 3.094 1.00 0.00 H new ATOM 0 HB2 PHE A 89 2.992 -14.236 0.795 1.00 0.00 H new ATOM 0 HB3 PHE A 89 3.075 -12.889 1.913 1.00 0.00 H new ATOM 0 HD1 PHE A 89 3.010 -14.211 4.536 1.00 0.00 H new ATOM 0 HD2 PHE A 89 5.028 -15.355 0.963 1.00 0.00 H new ATOM 0 HE1 PHE A 89 4.687 -15.417 5.869 1.00 0.00 H new ATOM 0 HE2 PHE A 89 6.703 -16.562 2.292 1.00 0.00 H new ATOM 0 HZ PHE A 89 6.535 -16.598 4.748 1.00 0.00 H new ATOM 1435 N TYR A 90 0.143 -15.043 0.399 1.00 0.00 N ATOM 1436 CA TYR A 90 -0.760 -14.937 -0.741 1.00 0.00 C ATOM 1437 C TYR A 90 -2.194 -14.695 -0.282 1.00 0.00 C ATOM 1438 O TYR A 90 -2.753 -13.619 -0.493 1.00 0.00 O ATOM 1439 CB TYR A 90 -0.691 -16.207 -1.592 1.00 0.00 C ATOM 1440 CG TYR A 90 -1.255 -16.034 -2.984 1.00 0.00 C ATOM 1441 CD1 TYR A 90 -2.610 -15.801 -3.184 1.00 0.00 C ATOM 1442 CD2 TYR A 90 -0.431 -16.102 -4.102 1.00 0.00 C ATOM 1443 CE1 TYR A 90 -3.129 -15.643 -4.454 1.00 0.00 C ATOM 1444 CE2 TYR A 90 -0.941 -15.944 -5.375 1.00 0.00 C ATOM 1445 CZ TYR A 90 -2.291 -15.715 -5.546 1.00 0.00 C ATOM 1446 OH TYR A 90 -2.804 -15.557 -6.814 1.00 0.00 O ATOM 0 H TYR A 90 0.476 -15.989 0.587 1.00 0.00 H new ATOM 0 HA TYR A 90 -0.444 -14.086 -1.344 1.00 0.00 H new ATOM 0 HB2 TYR A 90 0.348 -16.528 -1.667 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -1.235 -17.004 -1.085 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -3.269 -15.742 -2.331 1.00 0.00 H new ATOM 0 HD2 TYR A 90 0.626 -16.281 -3.972 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -4.185 -15.464 -4.591 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -0.287 -15.999 -6.233 1.00 0.00 H new ATOM 0 HH TYR A 90 -2.081 -15.635 -7.471 1.00 0.00 H new ATOM 1456 N ARG A 91 -2.784 -15.705 0.349 1.00 0.00 N ATOM 1457 CA ARG A 91 -4.153 -15.605 0.839 1.00 0.00 C ATOM 1458 C ARG A 91 -4.353 -14.318 1.635 1.00 0.00 C ATOM 1459 O ARG A 91 -5.380 -13.653 1.510 1.00 0.00 O ATOM 1460 CB ARG A 91 -4.495 -16.814 1.710 1.00 0.00 C ATOM 1461 CG ARG A 91 -4.749 -18.085 0.916 1.00 0.00 C ATOM 1462 CD ARG A 91 -4.764 -19.311 1.817 1.00 0.00 C ATOM 1463 NE ARG A 91 -6.041 -19.468 2.507 1.00 0.00 N ATOM 1464 CZ ARG A 91 -7.164 -19.837 1.901 1.00 0.00 C ATOM 1465 NH1 ARG A 91 -7.166 -20.087 0.598 1.00 0.00 N ATOM 1466 NH2 ARG A 91 -8.286 -19.958 2.597 1.00 0.00 N ATOM 0 H ARG A 91 -2.335 -16.602 0.533 1.00 0.00 H new ATOM 0 HA ARG A 91 -4.820 -15.586 -0.023 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -3.678 -16.990 2.409 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -5.379 -16.584 2.304 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -5.702 -18.004 0.393 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -3.977 -18.201 0.155 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -4.562 -20.201 1.221 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -3.963 -19.231 2.552 1.00 0.00 H new ATOM 0 HE ARG A 91 -6.073 -19.284 3.510 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -6.304 -19.996 0.060 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -8.029 -20.370 0.134 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -8.288 -19.768 3.599 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -9.148 -20.241 2.130 1.00 0.00 H new ATOM 1480 N ALA A 92 -3.363 -13.974 2.453 1.00 0.00 N ATOM 1481 CA ALA A 92 -3.429 -12.768 3.267 1.00 0.00 C ATOM 1482 C ALA A 92 -3.498 -11.519 2.394 1.00 0.00 C ATOM 1483 O ALA A 92 -4.243 -10.585 2.688 1.00 0.00 O ATOM 1484 CB ALA A 92 -2.230 -12.695 4.201 1.00 0.00 C ATOM 0 H ALA A 92 -2.506 -14.514 2.569 1.00 0.00 H new ATOM 0 HA ALA A 92 -4.339 -12.813 3.865 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -2.293 -11.789 4.803 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -2.225 -13.566 4.856 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -1.312 -12.678 3.614 1.00 0.00 H new ATOM 1490 N ALA A 93 -2.716 -11.510 1.320 1.00 0.00 N ATOM 1491 CA ALA A 93 -2.691 -10.377 0.403 1.00 0.00 C ATOM 1492 C ALA A 93 -4.015 -10.241 -0.339 1.00 0.00 C ATOM 1493 O ALA A 93 -4.516 -9.134 -0.538 1.00 0.00 O ATOM 1494 CB ALA A 93 -1.542 -10.524 -0.585 1.00 0.00 C ATOM 0 H ALA A 93 -2.091 -12.274 1.063 1.00 0.00 H new ATOM 0 HA ALA A 93 -2.539 -9.470 0.989 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -1.535 -9.671 -1.264 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -0.598 -10.563 -0.042 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -1.670 -11.443 -1.158 1.00 0.00 H new ATOM 1500 N VAL A 94 -4.579 -11.374 -0.747 1.00 0.00 N ATOM 1501 CA VAL A 94 -5.847 -11.380 -1.467 1.00 0.00 C ATOM 1502 C VAL A 94 -6.928 -10.645 -0.683 1.00 0.00 C ATOM 1503 O VAL A 94 -7.720 -9.893 -1.252 1.00 0.00 O ATOM 1504 CB VAL A 94 -6.322 -12.816 -1.753 1.00 0.00 C ATOM 1505 CG1 VAL A 94 -7.796 -12.826 -2.131 1.00 0.00 C ATOM 1506 CG2 VAL A 94 -5.478 -13.449 -2.849 1.00 0.00 C ATOM 0 H VAL A 94 -4.178 -12.299 -0.591 1.00 0.00 H new ATOM 0 HA VAL A 94 -5.677 -10.866 -2.413 1.00 0.00 H new ATOM 0 HB VAL A 94 -6.200 -13.407 -0.845 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -8.114 -13.850 -2.330 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -8.385 -12.416 -1.310 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -7.947 -12.220 -3.024 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -5.828 -14.464 -3.038 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -5.565 -12.859 -3.762 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -4.435 -13.478 -2.534 1.00 0.00 H new ATOM 1516 N ARG A 95 -6.955 -10.866 0.627 1.00 0.00 N ATOM 1517 CA ARG A 95 -7.940 -10.225 1.490 1.00 0.00 C ATOM 1518 C ARG A 95 -7.739 -8.713 1.514 1.00 0.00 C ATOM 1519 O ARG A 95 -8.702 -7.947 1.439 1.00 0.00 O ATOM 1520 CB ARG A 95 -7.846 -10.785 2.911 1.00 0.00 C ATOM 1521 CG ARG A 95 -8.730 -10.059 3.911 1.00 0.00 C ATOM 1522 CD ARG A 95 -8.931 -10.880 5.176 1.00 0.00 C ATOM 1523 NE ARG A 95 -9.251 -10.040 6.327 1.00 0.00 N ATOM 1524 CZ ARG A 95 -9.827 -10.498 7.433 1.00 0.00 C ATOM 1525 NH1 ARG A 95 -10.142 -11.782 7.537 1.00 0.00 N ATOM 1526 NH2 ARG A 95 -10.087 -9.673 8.439 1.00 0.00 N ATOM 0 H ARG A 95 -6.306 -11.484 1.114 1.00 0.00 H new ATOM 0 HA ARG A 95 -8.931 -10.437 1.088 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -8.120 -11.840 2.896 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -6.810 -10.729 3.247 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -8.280 -9.099 4.166 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -9.698 -9.847 3.456 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -9.734 -11.600 5.018 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -8.027 -11.452 5.385 1.00 0.00 H new ATOM 0 HE ARG A 95 -9.020 -9.048 6.279 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -9.942 -12.420 6.767 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -10.584 -12.131 8.387 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -9.845 -8.685 8.364 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -10.529 -10.027 9.287 1.00 0.00 H new ATOM 1540 N LEU A 96 -6.485 -8.290 1.620 1.00 0.00 N ATOM 1541 CA LEU A 96 -6.158 -6.869 1.655 1.00 0.00 C ATOM 1542 C LEU A 96 -6.663 -6.162 0.401 1.00 0.00 C ATOM 1543 O LEU A 96 -7.221 -5.067 0.476 1.00 0.00 O ATOM 1544 CB LEU A 96 -4.646 -6.676 1.788 1.00 0.00 C ATOM 1545 CG LEU A 96 -4.070 -6.837 3.195 1.00 0.00 C ATOM 1546 CD1 LEU A 96 -2.553 -6.920 3.145 1.00 0.00 C ATOM 1547 CD2 LEU A 96 -4.513 -5.686 4.087 1.00 0.00 C ATOM 0 H LEU A 96 -5.678 -8.910 1.683 1.00 0.00 H new ATOM 0 HA LEU A 96 -6.652 -6.430 2.522 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -4.150 -7.389 1.130 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.394 -5.679 1.426 1.00 0.00 H new ATOM 0 HG LEU A 96 -4.450 -7.767 3.618 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -2.161 -7.034 4.156 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -2.255 -7.777 2.541 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -2.153 -6.008 2.702 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -4.094 -5.817 5.085 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -4.162 -4.744 3.666 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -5.601 -5.672 4.150 1.00 0.00 H new ATOM 1559 N ARG A 97 -6.466 -6.797 -0.750 1.00 0.00 N ATOM 1560 CA ARG A 97 -6.902 -6.230 -2.020 1.00 0.00 C ATOM 1561 C ARG A 97 -8.421 -6.083 -2.056 1.00 0.00 C ATOM 1562 O ARG A 97 -8.947 -5.128 -2.626 1.00 0.00 O ATOM 1563 CB ARG A 97 -6.437 -7.110 -3.181 1.00 0.00 C ATOM 1564 CG ARG A 97 -6.856 -6.588 -4.546 1.00 0.00 C ATOM 1565 CD ARG A 97 -6.403 -7.517 -5.662 1.00 0.00 C ATOM 1566 NE ARG A 97 -7.069 -7.219 -6.927 1.00 0.00 N ATOM 1567 CZ ARG A 97 -6.755 -6.183 -7.696 1.00 0.00 C ATOM 1568 NH1 ARG A 97 -5.791 -5.350 -7.331 1.00 0.00 N ATOM 1569 NH2 ARG A 97 -7.407 -5.979 -8.834 1.00 0.00 N ATOM 0 H ARG A 97 -6.007 -7.705 -0.829 1.00 0.00 H new ATOM 0 HA ARG A 97 -6.455 -5.241 -2.121 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -5.351 -7.193 -3.151 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -6.837 -8.115 -3.047 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -7.940 -6.481 -4.578 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -6.433 -5.596 -4.703 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -5.324 -7.429 -5.791 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -6.607 -8.550 -5.379 1.00 0.00 H new ATOM 0 HE ARG A 97 -7.816 -7.841 -7.237 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -5.288 -5.504 -6.457 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -5.552 -4.555 -7.924 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -8.149 -6.618 -9.118 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -7.166 -5.183 -9.424 1.00 0.00 H new ATOM 1583 N GLU A 98 -9.117 -7.036 -1.445 1.00 0.00 N ATOM 1584 CA GLU A 98 -10.575 -7.012 -1.409 1.00 0.00 C ATOM 1585 C GLU A 98 -11.077 -5.974 -0.410 1.00 0.00 C ATOM 1586 O GLU A 98 -11.784 -5.036 -0.778 1.00 0.00 O ATOM 1587 CB GLU A 98 -11.121 -8.394 -1.045 1.00 0.00 C ATOM 1588 CG GLU A 98 -11.043 -9.400 -2.181 1.00 0.00 C ATOM 1589 CD GLU A 98 -12.095 -9.159 -3.245 1.00 0.00 C ATOM 1590 OE1 GLU A 98 -12.315 -7.983 -3.607 1.00 0.00 O ATOM 1591 OE2 GLU A 98 -12.699 -10.145 -3.718 1.00 0.00 O ATOM 0 H GLU A 98 -8.696 -7.834 -0.969 1.00 0.00 H new ATOM 0 HA GLU A 98 -10.934 -6.738 -2.401 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -10.566 -8.781 -0.190 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -12.160 -8.293 -0.731 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -10.054 -9.353 -2.636 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -11.161 -10.406 -1.779 1.00 0.00 H new ATOM 1598 N GLN A 99 -10.709 -6.151 0.854 1.00 0.00 N ATOM 1599 CA GLN A 99 -11.122 -5.231 1.906 1.00 0.00 C ATOM 1600 C GLN A 99 -10.447 -3.875 1.741 1.00 0.00 C ATOM 1601 O GLN A 99 -11.114 -2.846 1.636 1.00 0.00 O ATOM 1602 CB GLN A 99 -10.793 -5.814 3.282 1.00 0.00 C ATOM 1603 CG GLN A 99 -11.268 -7.246 3.466 1.00 0.00 C ATOM 1604 CD GLN A 99 -11.425 -7.625 4.925 1.00 0.00 C ATOM 1605 OE1 GLN A 99 -11.243 -6.797 5.817 1.00 0.00 O ATOM 1606 NE2 GLN A 99 -11.764 -8.885 5.177 1.00 0.00 N ATOM 0 H GLN A 99 -10.125 -6.924 1.175 1.00 0.00 H new ATOM 0 HA GLN A 99 -12.200 -5.091 1.827 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -9.715 -5.775 3.435 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -11.247 -5.188 4.050 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -12.222 -7.377 2.956 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -10.558 -7.924 2.993 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -11.905 -9.539 4.407 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -11.883 -9.198 6.140 1.00 0.00 H new ATOM 1615 N GLY A 100 -9.117 -3.879 1.717 1.00 0.00 N ATOM 1616 CA GLY A 100 -8.373 -2.643 1.564 1.00 0.00 C ATOM 1617 C GLY A 100 -9.036 -1.684 0.595 1.00 0.00 C ATOM 1618 O GLY A 100 -9.062 -0.476 0.827 1.00 0.00 O ATOM 0 H GLY A 100 -8.542 -4.717 1.801 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -8.272 -2.161 2.536 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -7.366 -2.870 1.214 1.00 0.00 H new ATOM 1622 N GLY A 101 -9.572 -2.223 -0.495 1.00 0.00 N ATOM 1623 CA GLY A 101 -10.228 -1.391 -1.488 1.00 0.00 C ATOM 1624 C GLY A 101 -11.166 -0.376 -0.864 1.00 0.00 C ATOM 1625 O GLY A 101 -11.131 0.804 -1.209 1.00 0.00 O ATOM 0 H GLY A 101 -9.564 -3.220 -0.709 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -9.473 -0.870 -2.077 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -10.788 -2.024 -2.176 1.00 0.00 H new ATOM 1629 N ALA A 102 -12.009 -0.837 0.055 1.00 0.00 N ATOM 1630 CA ALA A 102 -12.960 0.040 0.727 1.00 0.00 C ATOM 1631 C ALA A 102 -12.253 1.234 1.360 1.00 0.00 C ATOM 1632 O ALA A 102 -12.841 2.304 1.518 1.00 0.00 O ATOM 1633 CB ALA A 102 -13.737 -0.735 1.782 1.00 0.00 C ATOM 0 H ALA A 102 -12.052 -1.812 0.351 1.00 0.00 H new ATOM 0 HA ALA A 102 -13.658 0.418 -0.019 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -14.444 -0.068 2.276 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -14.280 -1.552 1.307 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -13.044 -1.141 2.519 1.00 0.00 H new ATOM 1639 N VAL A 103 -10.988 1.044 1.720 1.00 0.00 N ATOM 1640 CA VAL A 103 -10.200 2.106 2.335 1.00 0.00 C ATOM 1641 C VAL A 103 -9.688 3.088 1.288 1.00 0.00 C ATOM 1642 O VAL A 103 -9.768 4.303 1.468 1.00 0.00 O ATOM 1643 CB VAL A 103 -9.002 1.536 3.118 1.00 0.00 C ATOM 1644 CG1 VAL A 103 -8.082 2.657 3.577 1.00 0.00 C ATOM 1645 CG2 VAL A 103 -9.484 0.711 4.301 1.00 0.00 C ATOM 0 H VAL A 103 -10.486 0.164 1.596 1.00 0.00 H new ATOM 0 HA VAL A 103 -10.860 2.629 3.027 1.00 0.00 H new ATOM 0 HB VAL A 103 -8.435 0.882 2.456 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -7.242 2.235 4.128 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -7.710 3.201 2.709 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -8.634 3.339 4.223 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -8.625 0.316 4.843 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -10.075 1.340 4.967 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -10.098 -0.115 3.942 1.00 0.00 H new ATOM 1655 N LEU A 104 -9.161 2.553 0.191 1.00 0.00 N ATOM 1656 CA LEU A 104 -8.635 3.382 -0.888 1.00 0.00 C ATOM 1657 C LEU A 104 -9.768 4.042 -1.669 1.00 0.00 C ATOM 1658 O LEU A 104 -9.551 5.014 -2.393 1.00 0.00 O ATOM 1659 CB LEU A 104 -7.774 2.540 -1.830 1.00 0.00 C ATOM 1660 CG LEU A 104 -6.438 2.056 -1.267 1.00 0.00 C ATOM 1661 CD1 LEU A 104 -5.874 0.931 -2.121 1.00 0.00 C ATOM 1662 CD2 LEU A 104 -5.448 3.208 -1.177 1.00 0.00 C ATOM 0 H LEU A 104 -9.087 1.549 0.026 1.00 0.00 H new ATOM 0 HA LEU A 104 -8.019 4.165 -0.445 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.353 1.669 -2.137 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -7.576 3.124 -2.729 1.00 0.00 H new ATOM 0 HG LEU A 104 -6.608 1.670 -0.262 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -4.923 0.600 -1.704 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -6.575 0.097 -2.133 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -5.719 1.289 -3.139 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -4.503 2.845 -0.774 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -5.283 3.624 -2.171 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -5.848 3.981 -0.522 1.00 0.00 H new ATOM 1674 N ARG A 105 -10.975 3.509 -1.515 1.00 0.00 N ATOM 1675 CA ARG A 105 -12.142 4.047 -2.204 1.00 0.00 C ATOM 1676 C ARG A 105 -12.785 5.167 -1.392 1.00 0.00 C ATOM 1677 O ARG A 105 -13.251 6.161 -1.948 1.00 0.00 O ATOM 1678 CB ARG A 105 -13.164 2.939 -2.463 1.00 0.00 C ATOM 1679 CG ARG A 105 -12.932 2.188 -3.764 1.00 0.00 C ATOM 1680 CD ARG A 105 -14.229 1.620 -4.318 1.00 0.00 C ATOM 1681 NE ARG A 105 -14.994 2.620 -5.057 1.00 0.00 N ATOM 1682 CZ ARG A 105 -16.068 2.334 -5.785 1.00 0.00 C ATOM 1683 NH1 ARG A 105 -16.501 1.084 -5.871 1.00 0.00 N ATOM 1684 NH2 ARG A 105 -16.710 3.300 -6.429 1.00 0.00 N ATOM 0 H ARG A 105 -11.171 2.705 -0.919 1.00 0.00 H new ATOM 0 HA ARG A 105 -11.812 4.457 -3.158 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -13.137 2.231 -1.635 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -14.163 3.374 -2.478 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -12.484 2.859 -4.498 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -12.221 1.379 -3.597 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -14.005 0.778 -4.973 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -14.835 1.234 -3.498 1.00 0.00 H new ATOM 0 HE ARG A 105 -14.687 3.592 -5.012 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -16.009 0.339 -5.378 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -17.326 0.867 -6.431 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -16.379 4.263 -6.365 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -17.534 3.080 -6.988 1.00 0.00 H new ATOM 1698 N GLN A 106 -12.806 4.998 -0.073 1.00 0.00 N ATOM 1699 CA GLN A 106 -13.392 5.994 0.814 1.00 0.00 C ATOM 1700 C GLN A 106 -12.487 7.216 0.937 1.00 0.00 C ATOM 1701 O GLN A 106 -12.963 8.346 1.043 1.00 0.00 O ATOM 1702 CB GLN A 106 -13.644 5.391 2.197 1.00 0.00 C ATOM 1703 CG GLN A 106 -12.392 5.287 3.053 1.00 0.00 C ATOM 1704 CD GLN A 106 -12.692 4.870 4.479 1.00 0.00 C ATOM 1705 OE1 GLN A 106 -13.837 4.931 4.928 1.00 0.00 O ATOM 1706 NE2 GLN A 106 -11.662 4.441 5.200 1.00 0.00 N ATOM 0 H GLN A 106 -12.424 4.181 0.403 1.00 0.00 H new ATOM 0 HA GLN A 106 -14.342 6.311 0.384 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -14.382 5.999 2.720 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -14.076 4.397 2.078 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -11.709 4.566 2.604 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -11.881 6.250 3.060 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -10.730 4.407 4.788 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -11.803 4.146 6.166 1.00 0.00 H new ATOM 1715 N ALA A 107 -11.179 6.980 0.921 1.00 0.00 N ATOM 1716 CA ALA A 107 -10.207 8.061 1.029 1.00 0.00 C ATOM 1717 C ALA A 107 -10.013 8.761 -0.312 1.00 0.00 C ATOM 1718 O ALA A 107 -9.572 9.909 -0.365 1.00 0.00 O ATOM 1719 CB ALA A 107 -8.879 7.527 1.544 1.00 0.00 C ATOM 0 H ALA A 107 -10.768 6.050 0.834 1.00 0.00 H new ATOM 0 HA ALA A 107 -10.592 8.793 1.739 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -8.163 8.345 1.620 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -9.024 7.079 2.527 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -8.498 6.774 0.855 1.00 0.00 H new ATOM 1725 N ARG A 108 -10.346 8.062 -1.393 1.00 0.00 N ATOM 1726 CA ARG A 108 -10.207 8.616 -2.734 1.00 0.00 C ATOM 1727 C ARG A 108 -11.046 9.882 -2.889 1.00 0.00 C ATOM 1728 O ARG A 108 -10.550 10.915 -3.340 1.00 0.00 O ATOM 1729 CB ARG A 108 -10.625 7.583 -3.782 1.00 0.00 C ATOM 1730 CG ARG A 108 -10.570 8.105 -5.208 1.00 0.00 C ATOM 1731 CD ARG A 108 -9.153 8.076 -5.758 1.00 0.00 C ATOM 1732 NE ARG A 108 -8.802 6.764 -6.294 1.00 0.00 N ATOM 1733 CZ ARG A 108 -9.321 6.261 -7.409 1.00 0.00 C ATOM 1734 NH1 ARG A 108 -10.210 6.959 -8.102 1.00 0.00 N ATOM 1735 NH2 ARG A 108 -8.950 5.060 -7.832 1.00 0.00 N ATOM 0 H ARG A 108 -10.714 7.111 -1.366 1.00 0.00 H new ATOM 0 HA ARG A 108 -9.159 8.874 -2.886 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -9.977 6.711 -3.698 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -11.640 7.248 -3.566 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -11.220 7.502 -5.842 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -10.952 9.125 -5.238 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -9.053 8.827 -6.542 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -8.452 8.345 -4.968 1.00 0.00 H new ATOM 0 HE ARG A 108 -8.120 6.202 -5.784 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -10.496 7.883 -7.779 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -10.608 6.572 -8.958 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -8.266 4.521 -7.301 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -9.349 4.675 -8.688 1.00 0.00 H new ATOM 1749 N ARG A 109 -12.317 9.793 -2.512 1.00 0.00 N ATOM 1750 CA ARG A 109 -13.224 10.929 -2.612 1.00 0.00 C ATOM 1751 C ARG A 109 -12.666 12.137 -1.865 1.00 0.00 C ATOM 1752 O ARG A 109 -12.892 13.281 -2.260 1.00 0.00 O ATOM 1753 CB ARG A 109 -14.599 10.561 -2.051 1.00 0.00 C ATOM 1754 CG ARG A 109 -14.687 10.659 -0.537 1.00 0.00 C ATOM 1755 CD ARG A 109 -15.912 9.934 -0.002 1.00 0.00 C ATOM 1756 NE ARG A 109 -17.120 10.746 -0.113 1.00 0.00 N ATOM 1757 CZ ARG A 109 -18.248 10.478 0.536 1.00 0.00 C ATOM 1758 NH1 ARG A 109 -18.321 9.425 1.339 1.00 0.00 N ATOM 1759 NH2 ARG A 109 -19.306 11.265 0.383 1.00 0.00 N ATOM 0 H ARG A 109 -12.742 8.946 -2.135 1.00 0.00 H new ATOM 0 HA ARG A 109 -13.326 11.189 -3.666 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -15.349 11.217 -2.493 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -14.845 9.544 -2.355 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -13.788 10.234 -0.091 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -14.725 11.707 -0.241 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -16.050 9.002 -0.550 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -15.749 9.668 1.042 1.00 0.00 H new ATOM 0 HE ARG A 109 -17.097 11.564 -0.722 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -17.510 8.818 1.460 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -19.188 9.222 1.836 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -19.253 12.076 -0.233 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -20.172 11.059 0.882 1.00 0.00 H new ATOM 1773 N GLN A 110 -11.937 11.874 -0.785 1.00 0.00 N ATOM 1774 CA GLN A 110 -11.348 12.940 0.016 1.00 0.00 C ATOM 1775 C GLN A 110 -10.239 13.649 -0.753 1.00 0.00 C ATOM 1776 O GLN A 110 -10.289 14.862 -0.956 1.00 0.00 O ATOM 1777 CB GLN A 110 -10.796 12.376 1.327 1.00 0.00 C ATOM 1778 CG GLN A 110 -11.811 11.561 2.113 1.00 0.00 C ATOM 1779 CD GLN A 110 -11.533 11.566 3.604 1.00 0.00 C ATOM 1780 OE1 GLN A 110 -11.333 10.514 4.212 1.00 0.00 O ATOM 1781 NE2 GLN A 110 -11.518 12.752 4.201 1.00 0.00 N ATOM 0 H GLN A 110 -11.740 10.933 -0.445 1.00 0.00 H new ATOM 0 HA GLN A 110 -12.130 13.665 0.241 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -9.931 11.750 1.108 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -10.444 13.200 1.948 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -12.810 11.959 1.932 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -11.806 10.533 1.750 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -11.689 13.598 3.658 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -11.335 12.817 5.202 1.00 0.00 H new ATOM 1790 N ALA A 111 -9.238 12.885 -1.177 1.00 0.00 N ATOM 1791 CA ALA A 111 -8.116 13.441 -1.924 1.00 0.00 C ATOM 1792 C ALA A 111 -8.600 14.213 -3.148 1.00 0.00 C ATOM 1793 O ALA A 111 -7.846 14.976 -3.750 1.00 0.00 O ATOM 1794 CB ALA A 111 -7.160 12.334 -2.341 1.00 0.00 C ATOM 0 H ALA A 111 -9.181 11.879 -1.016 1.00 0.00 H new ATOM 0 HA ALA A 111 -7.587 14.137 -1.273 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -6.327 12.763 -2.898 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -6.781 11.827 -1.454 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -7.686 11.617 -2.971 1.00 0.00 H new ATOM 1800 N GLU A 112 -9.864 14.007 -3.509 1.00 0.00 N ATOM 1801 CA GLU A 112 -10.447 14.684 -4.661 1.00 0.00 C ATOM 1802 C GLU A 112 -11.298 15.872 -4.222 1.00 0.00 C ATOM 1803 O GLU A 112 -11.278 16.931 -4.850 1.00 0.00 O ATOM 1804 CB GLU A 112 -11.296 13.708 -5.478 1.00 0.00 C ATOM 1805 CG GLU A 112 -10.498 12.565 -6.083 1.00 0.00 C ATOM 1806 CD GLU A 112 -11.093 12.064 -7.385 1.00 0.00 C ATOM 1807 OE1 GLU A 112 -10.991 12.785 -8.400 1.00 0.00 O ATOM 1808 OE2 GLU A 112 -11.661 10.951 -7.389 1.00 0.00 O ATOM 0 H GLU A 112 -10.502 13.378 -3.021 1.00 0.00 H new ATOM 0 HA GLU A 112 -9.632 15.054 -5.283 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -12.077 13.296 -4.839 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -11.795 14.255 -6.278 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -9.474 12.895 -6.259 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -10.450 11.742 -5.369 1.00 0.00 H new ATOM 1815 N LYS A 113 -12.046 15.688 -3.140 1.00 0.00 N ATOM 1816 CA LYS A 113 -12.906 16.743 -2.614 1.00 0.00 C ATOM 1817 C LYS A 113 -12.085 17.968 -2.225 1.00 0.00 C ATOM 1818 O LYS A 113 -12.596 19.088 -2.204 1.00 0.00 O ATOM 1819 CB LYS A 113 -13.688 16.234 -1.402 1.00 0.00 C ATOM 1820 CG LYS A 113 -12.974 16.456 -0.080 1.00 0.00 C ATOM 1821 CD LYS A 113 -13.852 16.073 1.100 1.00 0.00 C ATOM 1822 CE LYS A 113 -14.835 17.181 1.446 1.00 0.00 C ATOM 1823 NZ LYS A 113 -15.403 17.011 2.812 1.00 0.00 N ATOM 0 H LYS A 113 -12.075 14.818 -2.609 1.00 0.00 H new ATOM 0 HA LYS A 113 -13.608 17.031 -3.397 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -14.657 16.732 -1.370 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -13.881 15.169 -1.526 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -12.057 15.868 -0.058 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -12.684 17.503 0.006 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -14.399 15.160 0.866 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -13.226 15.857 1.966 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -14.333 18.146 1.379 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -15.643 17.191 0.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -16.068 17.786 3.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -15.904 16.101 2.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -14.634 17.027 3.512 1.00 0.00 H new ATOM 1837 N MET A 114 -10.811 17.749 -1.919 1.00 0.00 N ATOM 1838 CA MET A 114 -9.920 18.837 -1.534 1.00 0.00 C ATOM 1839 C MET A 114 -10.156 20.068 -2.405 1.00 0.00 C ATOM 1840 O MET A 114 -10.487 21.141 -1.902 1.00 0.00 O ATOM 1841 CB MET A 114 -8.460 18.393 -1.644 1.00 0.00 C ATOM 1842 CG MET A 114 -8.098 17.256 -0.702 1.00 0.00 C ATOM 1843 SD MET A 114 -7.713 17.828 0.964 1.00 0.00 S ATOM 1844 CE MET A 114 -7.157 16.305 1.725 1.00 0.00 C ATOM 0 H MET A 114 -10.372 16.828 -1.930 1.00 0.00 H new ATOM 0 HA MET A 114 -10.135 19.100 -0.498 1.00 0.00 H new ATOM 0 HB2 MET A 114 -8.260 18.082 -2.669 1.00 0.00 H new ATOM 0 HB3 MET A 114 -7.813 19.245 -1.437 1.00 0.00 H new ATOM 0 HG2 MET A 114 -8.927 16.549 -0.657 1.00 0.00 H new ATOM 0 HG3 MET A 114 -7.240 16.716 -1.104 1.00 0.00 H new ATOM 0 HE1 MET A 114 -6.504 16.536 2.567 1.00 0.00 H new ATOM 0 HE2 MET A 114 -8.019 15.739 2.079 1.00 0.00 H new ATOM 0 HE3 MET A 114 -6.609 15.712 0.993 1.00 0.00 H new