USER MOD reduce.3.24.130724 H: found=0, std=0, add=455, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 456 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 Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.505! K(o=-0.5!,f=-1.6) USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 20 CYS SG : rot 180:sc= 0.0437 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.983 K(o=-0.98,f=-6.1!) USER MOD Single : A 38 HIS : no HD1:sc= -0.313 X(o=-0.31,f=-0.11) USER MOD Single : A 42 SER OG : rot -140:sc= -0.177 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 CYS SG : rot 180:sc= -0.812 USER MOD Single : A 51 HIS : no HD1:sc= -0.551 K(o=-0.55,f=-0.0082) USER MOD Single : A 54 GLN : amide:sc= -0.029 K(o=-0.029,f=-1.2!) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 10.396 5.027 -4.091 1.00 0.00 N ATOM 60 CA GLY A 7 10.158 3.958 -3.139 1.00 0.00 C ATOM 61 C GLY A 7 9.787 4.479 -1.764 1.00 0.00 C ATOM 62 O GLY A 7 10.657 4.708 -0.923 1.00 0.00 O ATOM 0 HA2 GLY A 7 9.358 3.317 -3.509 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.052 3.339 -3.061 1.00 0.00 H new ATOM 66 N LEU A 8 8.492 4.668 -1.535 1.00 0.00 N ATOM 67 CA LEU A 8 8.007 5.167 -0.252 1.00 0.00 C ATOM 68 C LEU A 8 7.411 4.037 0.581 1.00 0.00 C ATOM 69 O LEU A 8 7.287 2.904 0.113 1.00 0.00 O ATOM 70 CB LEU A 8 6.961 6.261 -0.471 1.00 0.00 C ATOM 71 CG LEU A 8 7.504 7.659 -0.767 1.00 0.00 C ATOM 72 CD1 LEU A 8 8.102 8.276 0.488 1.00 0.00 C ATOM 73 CD2 LEU A 8 8.538 7.605 -1.882 1.00 0.00 C ATOM 0 H LEU A 8 7.759 4.484 -2.220 1.00 0.00 H new ATOM 0 HA LEU A 8 8.854 5.586 0.291 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.318 5.960 -1.298 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.332 6.318 0.418 1.00 0.00 H new ATOM 0 HG LEU A 8 6.676 8.287 -1.097 1.00 0.00 H new ATOM 0 HD11 LEU A 8 8.483 9.271 0.258 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.334 8.351 1.258 1.00 0.00 H new ATOM 0 HD13 LEU A 8 8.918 7.649 0.849 1.00 0.00 H new ATOM 0 HD21 LEU A 8 8.913 8.609 -2.079 1.00 0.00 H new ATOM 0 HD22 LEU A 8 9.364 6.961 -1.581 1.00 0.00 H new ATOM 0 HD23 LEU A 8 8.078 7.206 -2.786 1.00 0.00 H new ATOM 85 N LEU A 9 7.042 4.352 1.818 1.00 0.00 N ATOM 86 CA LEU A 9 6.457 3.364 2.717 1.00 0.00 C ATOM 87 C LEU A 9 5.081 3.814 3.199 1.00 0.00 C ATOM 88 O LEU A 9 4.902 4.959 3.613 1.00 0.00 O ATOM 89 CB LEU A 9 7.377 3.127 3.915 1.00 0.00 C ATOM 90 CG LEU A 9 8.847 2.859 3.589 1.00 0.00 C ATOM 91 CD1 LEU A 9 9.706 3.008 4.836 1.00 0.00 C ATOM 92 CD2 LEU A 9 9.016 1.472 2.986 1.00 0.00 C ATOM 0 H LEU A 9 7.138 5.284 2.221 1.00 0.00 H new ATOM 0 HA LEU A 9 6.342 2.431 2.166 1.00 0.00 H new ATOM 0 HB2 LEU A 9 7.323 3.999 4.567 1.00 0.00 H new ATOM 0 HB3 LEU A 9 6.991 2.280 4.482 1.00 0.00 H new ATOM 0 HG LEU A 9 9.176 3.595 2.855 1.00 0.00 H new ATOM 0 HD11 LEU A 9 10.749 2.814 4.585 1.00 0.00 H new ATOM 0 HD12 LEU A 9 9.609 4.021 5.225 1.00 0.00 H new ATOM 0 HD13 LEU A 9 9.376 2.296 5.592 1.00 0.00 H new ATOM 0 HD21 LEU A 9 10.068 1.299 2.760 1.00 0.00 H new ATOM 0 HD22 LEU A 9 8.669 0.722 3.696 1.00 0.00 H new ATOM 0 HD23 LEU A 9 8.432 1.400 2.069 1.00 0.00 H new ATOM 104 N ALA A 10 4.114 2.905 3.145 1.00 0.00 N ATOM 105 CA ALA A 10 2.756 3.207 3.580 1.00 0.00 C ATOM 106 C ALA A 10 2.255 2.168 4.578 1.00 0.00 C ATOM 107 O ALA A 10 2.745 1.039 4.611 1.00 0.00 O ATOM 108 CB ALA A 10 1.822 3.283 2.382 1.00 0.00 C ATOM 0 H ALA A 10 4.246 1.953 2.804 1.00 0.00 H new ATOM 0 HA ALA A 10 2.769 4.176 4.079 1.00 0.00 H new ATOM 0 HB1 ALA A 10 0.811 3.509 2.722 1.00 0.00 H new ATOM 0 HB2 ALA A 10 2.161 4.067 1.705 1.00 0.00 H new ATOM 0 HB3 ALA A 10 1.823 2.327 1.859 1.00 0.00 H new ATOM 114 N ARG A 11 1.277 2.557 5.389 1.00 0.00 N ATOM 115 CA ARG A 11 0.712 1.659 6.389 1.00 0.00 C ATOM 116 C ARG A 11 -0.611 1.071 5.906 1.00 0.00 C ATOM 117 O ARG A 11 -1.214 1.571 4.957 1.00 0.00 O ATOM 118 CB ARG A 11 0.500 2.400 7.710 1.00 0.00 C ATOM 119 CG ARG A 11 0.145 1.487 8.872 1.00 0.00 C ATOM 120 CD ARG A 11 0.418 2.155 10.210 1.00 0.00 C ATOM 121 NE ARG A 11 1.812 2.007 10.621 1.00 0.00 N ATOM 122 CZ ARG A 11 2.361 0.844 10.951 1.00 0.00 C ATOM 123 NH1 ARG A 11 1.639 -0.267 10.917 1.00 0.00 N ATOM 124 NH2 ARG A 11 3.636 0.791 11.314 1.00 0.00 N ATOM 0 H ARG A 11 0.859 3.488 5.373 1.00 0.00 H new ATOM 0 HA ARG A 11 1.417 0.843 6.547 1.00 0.00 H new ATOM 0 HB2 ARG A 11 1.407 2.952 7.957 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -0.295 3.135 7.581 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -0.908 1.211 8.810 1.00 0.00 H new ATOM 0 HG3 ARG A 11 0.721 0.565 8.800 1.00 0.00 H new ATOM 0 HD2 ARG A 11 0.170 3.214 10.144 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -0.232 1.723 10.971 1.00 0.00 H new ATOM 0 HE ARG A 11 2.396 2.843 10.656 1.00 0.00 H new ATOM 0 HH11 ARG A 11 0.659 -0.230 10.637 1.00 0.00 H new ATOM 0 HH12 ARG A 11 2.063 -1.159 11.171 1.00 0.00 H new ATOM 0 HH21 ARG A 11 4.195 1.644 11.340 1.00 0.00 H new ATOM 0 HH22 ARG A 11 4.057 -0.103 11.567 1.00 0.00 H new ATOM 138 N ALA A 12 -1.054 0.005 6.565 1.00 0.00 N ATOM 139 CA ALA A 12 -2.305 -0.650 6.203 1.00 0.00 C ATOM 140 C ALA A 12 -3.360 -0.456 7.288 1.00 0.00 C ATOM 141 O ALA A 12 -3.354 -1.151 8.305 1.00 0.00 O ATOM 142 CB ALA A 12 -2.071 -2.132 5.951 1.00 0.00 C ATOM 0 H ALA A 12 -0.566 -0.423 7.352 1.00 0.00 H new ATOM 0 HA ALA A 12 -2.675 -0.191 5.286 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -3.014 -2.609 5.682 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.357 -2.254 5.137 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -1.675 -2.596 6.854 1.00 0.00 H new ATOM 148 N LEU A 13 -4.263 0.492 7.066 1.00 0.00 N ATOM 149 CA LEU A 13 -5.324 0.777 8.025 1.00 0.00 C ATOM 150 C LEU A 13 -6.312 -0.383 8.107 1.00 0.00 C ATOM 151 O LEU A 13 -7.076 -0.494 9.065 1.00 0.00 O ATOM 152 CB LEU A 13 -6.059 2.061 7.635 1.00 0.00 C ATOM 153 CG LEU A 13 -5.177 3.253 7.263 1.00 0.00 C ATOM 154 CD1 LEU A 13 -5.982 4.296 6.503 1.00 0.00 C ATOM 155 CD2 LEU A 13 -4.551 3.863 8.509 1.00 0.00 C ATOM 0 H LEU A 13 -4.282 1.076 6.230 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.867 0.910 9.006 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.712 1.840 6.790 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -6.701 2.355 8.465 1.00 0.00 H new ATOM 0 HG LEU A 13 -4.376 2.899 6.614 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.338 5.137 6.247 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -6.381 3.853 5.590 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.805 4.646 7.127 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.927 4.710 8.225 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.338 4.202 9.183 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.940 3.114 9.013 1.00 0.00 H new ATOM 167 N TYR A 14 -6.288 -1.245 7.097 1.00 0.00 N ATOM 168 CA TYR A 14 -7.181 -2.397 7.054 1.00 0.00 C ATOM 169 C TYR A 14 -6.654 -3.459 6.094 1.00 0.00 C ATOM 170 O TYR A 14 -6.088 -3.141 5.048 1.00 0.00 O ATOM 171 CB TYR A 14 -8.586 -1.964 6.632 1.00 0.00 C ATOM 172 CG TYR A 14 -9.008 -0.632 7.210 1.00 0.00 C ATOM 173 CD1 TYR A 14 -8.689 0.558 6.569 1.00 0.00 C ATOM 174 CD2 TYR A 14 -9.728 -0.564 8.397 1.00 0.00 C ATOM 175 CE1 TYR A 14 -9.072 1.777 7.094 1.00 0.00 C ATOM 176 CE2 TYR A 14 -10.116 0.650 8.928 1.00 0.00 C ATOM 177 CZ TYR A 14 -9.785 1.818 8.273 1.00 0.00 C ATOM 178 OH TYR A 14 -10.170 3.030 8.799 1.00 0.00 O ATOM 0 H TYR A 14 -5.660 -1.168 6.297 1.00 0.00 H new ATOM 0 HA TYR A 14 -7.226 -2.828 8.054 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -8.629 -1.909 5.544 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -9.300 -2.727 6.941 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -8.132 0.530 5.644 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -9.988 -1.476 8.913 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -8.814 2.693 6.583 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -10.676 0.685 9.851 1.00 0.00 H new ATOM 0 HH TYR A 14 -10.665 2.883 9.632 1.00 0.00 H new ATOM 188 N ASP A 15 -6.845 -4.722 6.457 1.00 0.00 N ATOM 189 CA ASP A 15 -6.392 -5.833 5.628 1.00 0.00 C ATOM 190 C ASP A 15 -7.055 -5.793 4.255 1.00 0.00 C ATOM 191 O ASP A 15 -8.188 -5.334 4.115 1.00 0.00 O ATOM 192 CB ASP A 15 -6.694 -7.166 6.315 1.00 0.00 C ATOM 193 CG ASP A 15 -8.110 -7.232 6.854 1.00 0.00 C ATOM 194 OD1 ASP A 15 -8.438 -6.434 7.756 1.00 0.00 O ATOM 195 OD2 ASP A 15 -8.889 -8.082 6.374 1.00 0.00 O ATOM 0 H ASP A 15 -7.311 -5.002 7.320 1.00 0.00 H new ATOM 0 HA ASP A 15 -5.314 -5.738 5.494 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -6.540 -7.980 5.606 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -5.990 -7.318 7.133 1.00 0.00 H new ATOM 200 N ASN A 16 -6.339 -6.274 3.244 1.00 0.00 N ATOM 201 CA ASN A 16 -6.857 -6.292 1.880 1.00 0.00 C ATOM 202 C ASN A 16 -6.979 -7.722 1.363 1.00 0.00 C ATOM 203 O ASN A 16 -6.066 -8.532 1.527 1.00 0.00 O ATOM 204 CB ASN A 16 -5.948 -5.479 0.957 1.00 0.00 C ATOM 205 CG ASN A 16 -6.423 -5.496 -0.484 1.00 0.00 C ATOM 206 OD1 ASN A 16 -7.624 -5.498 -0.753 1.00 0.00 O ATOM 207 ND2 ASN A 16 -5.479 -5.508 -1.417 1.00 0.00 N ATOM 0 H ASN A 16 -5.399 -6.657 3.343 1.00 0.00 H new ATOM 0 HA ASN A 16 -7.850 -5.843 1.889 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -5.904 -4.449 1.310 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -4.934 -5.877 1.007 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -5.737 -5.519 -2.404 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -4.495 -5.506 -1.147 1.00 0.00 H new ATOM 214 N CYS A 17 -8.112 -8.024 0.738 1.00 0.00 N ATOM 215 CA CYS A 17 -8.354 -9.356 0.195 1.00 0.00 C ATOM 216 C CYS A 17 -8.495 -9.308 -1.322 1.00 0.00 C ATOM 217 O CYS A 17 -9.599 -9.304 -1.867 1.00 0.00 O ATOM 218 CB CYS A 17 -9.612 -9.962 0.818 1.00 0.00 C ATOM 219 SG CYS A 17 -9.842 -11.719 0.458 1.00 0.00 S ATOM 0 H CYS A 17 -8.877 -7.365 0.595 1.00 0.00 H new ATOM 0 HA CYS A 17 -7.497 -9.983 0.441 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -9.571 -9.826 1.899 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -10.483 -9.412 0.461 1.00 0.00 H new ATOM 0 HG CYS A 17 -10.931 -12.140 1.030 1.00 0.00 H new ATOM 225 N PRO A 18 -7.352 -9.269 -2.023 1.00 0.00 N ATOM 226 CA PRO A 18 -7.322 -9.220 -3.488 1.00 0.00 C ATOM 227 C PRO A 18 -7.781 -10.528 -4.121 1.00 0.00 C ATOM 228 O PRO A 18 -7.510 -11.610 -3.600 1.00 0.00 O ATOM 229 CB PRO A 18 -5.847 -8.960 -3.804 1.00 0.00 C ATOM 230 CG PRO A 18 -5.108 -9.497 -2.628 1.00 0.00 C ATOM 231 CD PRO A 18 -6.000 -9.272 -1.439 1.00 0.00 C ATOM 0 HA PRO A 18 -7.997 -8.461 -3.885 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -5.545 -9.461 -4.724 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -5.653 -7.896 -3.942 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -4.889 -10.557 -2.756 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -4.153 -8.987 -2.501 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -5.885 -10.061 -0.695 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -5.775 -8.329 -0.941 1.00 0.00 H new ATOM 239 N ASP A 19 -8.475 -10.423 -5.249 1.00 0.00 N ATOM 240 CA ASP A 19 -8.970 -11.599 -5.955 1.00 0.00 C ATOM 241 C ASP A 19 -7.999 -12.023 -7.052 1.00 0.00 C ATOM 242 O ASP A 19 -7.982 -13.183 -7.466 1.00 0.00 O ATOM 243 CB ASP A 19 -10.347 -11.317 -6.557 1.00 0.00 C ATOM 244 CG ASP A 19 -10.775 -12.381 -7.549 1.00 0.00 C ATOM 245 OD1 ASP A 19 -10.163 -12.460 -8.635 1.00 0.00 O ATOM 246 OD2 ASP A 19 -11.720 -13.135 -7.239 1.00 0.00 O ATOM 0 H ASP A 19 -8.708 -9.535 -5.694 1.00 0.00 H new ATOM 0 HA ASP A 19 -9.056 -12.414 -5.236 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -11.084 -11.253 -5.756 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -10.331 -10.347 -7.054 1.00 0.00 H new ATOM 251 N CYS A 20 -7.193 -11.076 -7.519 1.00 0.00 N ATOM 252 CA CYS A 20 -6.219 -11.350 -8.570 1.00 0.00 C ATOM 253 C CYS A 20 -4.814 -10.956 -8.127 1.00 0.00 C ATOM 254 O CYS A 20 -4.636 -10.317 -7.090 1.00 0.00 O ATOM 255 CB CYS A 20 -6.593 -10.600 -9.849 1.00 0.00 C ATOM 256 SG CYS A 20 -6.075 -11.430 -11.370 1.00 0.00 S ATOM 0 H CYS A 20 -7.195 -10.112 -7.187 1.00 0.00 H new ATOM 0 HA CYS A 20 -6.229 -12.422 -8.770 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -7.674 -10.462 -9.873 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -6.145 -9.607 -9.819 1.00 0.00 H new ATOM 0 HG CYS A 20 -6.438 -10.720 -12.397 1.00 0.00 H new ATOM 262 N SER A 21 -3.819 -11.342 -8.919 1.00 0.00 N ATOM 263 CA SER A 21 -2.429 -11.033 -8.605 1.00 0.00 C ATOM 264 C SER A 21 -2.174 -9.531 -8.687 1.00 0.00 C ATOM 265 O SER A 21 -1.454 -8.966 -7.863 1.00 0.00 O ATOM 266 CB SER A 21 -1.491 -11.774 -9.560 1.00 0.00 C ATOM 267 OG SER A 21 -0.161 -11.771 -9.073 1.00 0.00 O ATOM 0 H SER A 21 -3.949 -11.869 -9.782 1.00 0.00 H new ATOM 0 HA SER A 21 -2.231 -11.362 -7.585 1.00 0.00 H new ATOM 0 HB2 SER A 21 -1.833 -12.801 -9.686 1.00 0.00 H new ATOM 0 HB3 SER A 21 -1.523 -11.304 -10.543 1.00 0.00 H new ATOM 0 HG SER A 21 0.418 -12.252 -9.700 1.00 0.00 H new ATOM 273 N ASP A 22 -2.769 -8.891 -9.688 1.00 0.00 N ATOM 274 CA ASP A 22 -2.608 -7.454 -9.879 1.00 0.00 C ATOM 275 C ASP A 22 -2.564 -6.729 -8.538 1.00 0.00 C ATOM 276 O ASP A 22 -1.639 -5.963 -8.266 1.00 0.00 O ATOM 277 CB ASP A 22 -3.749 -6.901 -10.734 1.00 0.00 C ATOM 278 CG ASP A 22 -3.752 -7.474 -12.137 1.00 0.00 C ATOM 279 OD1 ASP A 22 -3.237 -8.597 -12.320 1.00 0.00 O ATOM 280 OD2 ASP A 22 -4.268 -6.800 -13.054 1.00 0.00 O ATOM 0 H ASP A 22 -3.367 -9.344 -10.379 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.663 -7.285 -10.394 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -4.701 -7.123 -10.252 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -3.665 -5.816 -10.788 1.00 0.00 H new ATOM 285 N GLU A 23 -3.570 -6.975 -7.704 1.00 0.00 N ATOM 286 CA GLU A 23 -3.645 -6.343 -6.392 1.00 0.00 C ATOM 287 C GLU A 23 -2.735 -7.053 -5.393 1.00 0.00 C ATOM 288 O GLU A 23 -2.320 -8.191 -5.614 1.00 0.00 O ATOM 289 CB GLU A 23 -5.087 -6.352 -5.879 1.00 0.00 C ATOM 290 CG GLU A 23 -5.957 -5.268 -6.493 1.00 0.00 C ATOM 291 CD GLU A 23 -7.422 -5.657 -6.549 1.00 0.00 C ATOM 292 OE1 GLU A 23 -7.713 -6.815 -6.914 1.00 0.00 O ATOM 293 OE2 GLU A 23 -8.275 -4.804 -6.228 1.00 0.00 O ATOM 0 H GLU A 23 -4.343 -7.607 -7.913 1.00 0.00 H new ATOM 0 HA GLU A 23 -3.309 -5.311 -6.495 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -5.532 -7.325 -6.087 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -5.079 -6.230 -4.796 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -5.850 -4.351 -5.914 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -5.604 -5.052 -7.501 1.00 0.00 H new ATOM 300 N LEU A 24 -2.428 -6.372 -4.295 1.00 0.00 N ATOM 301 CA LEU A 24 -1.566 -6.935 -3.261 1.00 0.00 C ATOM 302 C LEU A 24 -2.389 -7.426 -2.075 1.00 0.00 C ATOM 303 O LEU A 24 -3.422 -6.847 -1.741 1.00 0.00 O ATOM 304 CB LEU A 24 -0.548 -5.893 -2.794 1.00 0.00 C ATOM 305 CG LEU A 24 0.796 -6.438 -2.309 1.00 0.00 C ATOM 306 CD1 LEU A 24 1.883 -5.384 -2.453 1.00 0.00 C ATOM 307 CD2 LEU A 24 0.692 -6.906 -0.865 1.00 0.00 C ATOM 0 H LEU A 24 -2.763 -5.429 -4.097 1.00 0.00 H new ATOM 0 HA LEU A 24 -1.035 -7.786 -3.689 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.362 -5.202 -3.616 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.995 -5.314 -1.986 1.00 0.00 H new ATOM 0 HG LEU A 24 1.064 -7.294 -2.929 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.832 -5.790 -2.103 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.975 -5.097 -3.501 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.622 -4.508 -1.859 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.658 -7.291 -0.537 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.401 -6.068 -0.231 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.057 -7.695 -0.791 1.00 0.00 H new ATOM 319 N ALA A 25 -1.922 -8.497 -1.440 1.00 0.00 N ATOM 320 CA ALA A 25 -2.612 -9.063 -0.288 1.00 0.00 C ATOM 321 C ALA A 25 -1.869 -8.748 1.007 1.00 0.00 C ATOM 322 O ALA A 25 -0.846 -9.360 1.312 1.00 0.00 O ATOM 323 CB ALA A 25 -2.771 -10.567 -0.454 1.00 0.00 C ATOM 0 H ALA A 25 -1.069 -8.989 -1.704 1.00 0.00 H new ATOM 0 HA ALA A 25 -3.601 -8.608 -0.229 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -3.288 -10.976 0.414 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.351 -10.774 -1.353 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -1.788 -11.029 -0.542 1.00 0.00 H new ATOM 329 N PHE A 26 -2.391 -7.788 1.764 1.00 0.00 N ATOM 330 CA PHE A 26 -1.776 -7.391 3.025 1.00 0.00 C ATOM 331 C PHE A 26 -2.788 -7.448 4.166 1.00 0.00 C ATOM 332 O PHE A 26 -3.992 -7.560 3.936 1.00 0.00 O ATOM 333 CB PHE A 26 -1.198 -5.979 2.912 1.00 0.00 C ATOM 334 CG PHE A 26 -2.171 -4.975 2.364 1.00 0.00 C ATOM 335 CD1 PHE A 26 -3.087 -4.352 3.196 1.00 0.00 C ATOM 336 CD2 PHE A 26 -2.170 -4.654 1.016 1.00 0.00 C ATOM 337 CE1 PHE A 26 -3.984 -3.427 2.695 1.00 0.00 C ATOM 338 CE2 PHE A 26 -3.064 -3.729 0.509 1.00 0.00 C ATOM 339 CZ PHE A 26 -3.973 -3.116 1.350 1.00 0.00 C ATOM 0 H PHE A 26 -3.238 -7.271 1.526 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.969 -8.091 3.243 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.866 -5.651 3.897 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -0.317 -6.006 2.271 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -3.100 -4.592 4.249 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -1.463 -5.132 0.354 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -4.692 -2.948 3.355 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -3.052 -3.486 -0.543 1.00 0.00 H new ATOM 0 HZ PHE A 26 -4.674 -2.395 0.956 1.00 0.00 H new ATOM 349 N SER A 27 -2.289 -7.373 5.395 1.00 0.00 N ATOM 350 CA SER A 27 -3.148 -7.421 6.573 1.00 0.00 C ATOM 351 C SER A 27 -2.870 -6.239 7.497 1.00 0.00 C ATOM 352 O SER A 27 -1.745 -5.742 7.566 1.00 0.00 O ATOM 353 CB SER A 27 -2.940 -8.734 7.329 1.00 0.00 C ATOM 354 OG SER A 27 -3.347 -9.843 6.546 1.00 0.00 O ATOM 0 H SER A 27 -1.295 -7.279 5.602 1.00 0.00 H new ATOM 0 HA SER A 27 -4.184 -7.363 6.239 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.889 -8.840 7.597 1.00 0.00 H new ATOM 0 HB3 SER A 27 -3.506 -8.715 8.260 1.00 0.00 H new ATOM 0 HG SER A 27 -3.202 -10.670 7.051 1.00 0.00 H new ATOM 360 N ARG A 28 -3.902 -5.794 8.205 1.00 0.00 N ATOM 361 CA ARG A 28 -3.770 -4.670 9.125 1.00 0.00 C ATOM 362 C ARG A 28 -2.420 -4.703 9.834 1.00 0.00 C ATOM 363 O ARG A 28 -1.884 -5.773 10.122 1.00 0.00 O ATOM 364 CB ARG A 28 -4.900 -4.692 10.156 1.00 0.00 C ATOM 365 CG ARG A 28 -4.670 -3.757 11.332 1.00 0.00 C ATOM 366 CD ARG A 28 -4.874 -2.303 10.935 1.00 0.00 C ATOM 367 NE ARG A 28 -4.556 -1.388 12.028 1.00 0.00 N ATOM 368 CZ ARG A 28 -5.386 -1.126 13.032 1.00 0.00 C ATOM 369 NH1 ARG A 28 -6.576 -1.707 13.081 1.00 0.00 N ATOM 370 NH2 ARG A 28 -5.024 -0.282 13.990 1.00 0.00 N ATOM 0 H ARG A 28 -4.839 -6.194 8.160 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.834 -3.749 8.545 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -5.834 -4.421 9.664 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.020 -5.709 10.529 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -5.353 -4.014 12.142 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -3.658 -3.893 11.714 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -4.247 -2.071 10.074 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -5.909 -2.153 10.626 1.00 0.00 H new ATOM 0 HE ARG A 28 -3.647 -0.925 12.020 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -6.857 -2.357 12.347 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -7.211 -1.504 13.853 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -4.108 0.166 13.956 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -5.662 -0.081 14.760 1.00 0.00 H new ATOM 384 N GLY A 29 -1.873 -3.523 10.111 1.00 0.00 N ATOM 385 CA GLY A 29 -0.590 -3.439 10.783 1.00 0.00 C ATOM 386 C GLY A 29 0.542 -4.000 9.944 1.00 0.00 C ATOM 387 O GLY A 29 1.395 -4.730 10.448 1.00 0.00 O ATOM 0 H GLY A 29 -2.296 -2.624 9.882 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.377 -2.398 11.025 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.642 -3.981 11.727 1.00 0.00 H new ATOM 391 N ASP A 30 0.548 -3.660 8.660 1.00 0.00 N ATOM 392 CA ASP A 30 1.583 -4.135 7.748 1.00 0.00 C ATOM 393 C ASP A 30 2.198 -2.975 6.972 1.00 0.00 C ATOM 394 O ASP A 30 1.486 -2.178 6.361 1.00 0.00 O ATOM 395 CB ASP A 30 1.003 -5.164 6.777 1.00 0.00 C ATOM 396 CG ASP A 30 0.717 -6.495 7.445 1.00 0.00 C ATOM 397 OD1 ASP A 30 0.623 -6.525 8.690 1.00 0.00 O ATOM 398 OD2 ASP A 30 0.588 -7.506 6.723 1.00 0.00 O ATOM 0 H ASP A 30 -0.152 -3.057 8.227 1.00 0.00 H new ATOM 0 HA ASP A 30 2.366 -4.607 8.341 1.00 0.00 H new ATOM 0 HB2 ASP A 30 0.082 -4.773 6.345 1.00 0.00 H new ATOM 0 HB3 ASP A 30 1.701 -5.317 5.954 1.00 0.00 H new ATOM 403 N ILE A 31 3.524 -2.886 7.003 1.00 0.00 N ATOM 404 CA ILE A 31 4.234 -1.824 6.303 1.00 0.00 C ATOM 405 C ILE A 31 4.525 -2.216 4.858 1.00 0.00 C ATOM 406 O ILE A 31 5.377 -3.065 4.593 1.00 0.00 O ATOM 407 CB ILE A 31 5.560 -1.475 7.005 1.00 0.00 C ATOM 408 CG1 ILE A 31 5.291 -0.937 8.412 1.00 0.00 C ATOM 409 CG2 ILE A 31 6.343 -0.461 6.184 1.00 0.00 C ATOM 410 CD1 ILE A 31 4.449 0.320 8.427 1.00 0.00 C ATOM 0 H ILE A 31 4.127 -3.537 7.506 1.00 0.00 H new ATOM 0 HA ILE A 31 3.584 -0.949 6.316 1.00 0.00 H new ATOM 0 HB ILE A 31 6.158 -2.382 7.092 1.00 0.00 H new ATOM 0 HG12 ILE A 31 4.789 -1.708 8.997 1.00 0.00 H new ATOM 0 HG13 ILE A 31 6.243 -0.733 8.903 1.00 0.00 H new ATOM 0 HG21 ILE A 31 7.277 -0.224 6.693 1.00 0.00 H new ATOM 0 HG22 ILE A 31 6.561 -0.879 5.201 1.00 0.00 H new ATOM 0 HG23 ILE A 31 5.752 0.448 6.069 1.00 0.00 H new ATOM 0 HD11 ILE A 31 4.298 0.645 9.457 1.00 0.00 H new ATOM 0 HD12 ILE A 31 4.959 1.106 7.869 1.00 0.00 H new ATOM 0 HD13 ILE A 31 3.483 0.116 7.966 1.00 0.00 H new ATOM 422 N LEU A 32 3.813 -1.591 3.927 1.00 0.00 N ATOM 423 CA LEU A 32 3.996 -1.873 2.507 1.00 0.00 C ATOM 424 C LEU A 32 4.965 -0.880 1.875 1.00 0.00 C ATOM 425 O LEU A 32 4.899 0.322 2.136 1.00 0.00 O ATOM 426 CB LEU A 32 2.651 -1.823 1.780 1.00 0.00 C ATOM 427 CG LEU A 32 1.765 -3.062 1.921 1.00 0.00 C ATOM 428 CD1 LEU A 32 2.457 -4.282 1.334 1.00 0.00 C ATOM 429 CD2 LEU A 32 1.409 -3.299 3.381 1.00 0.00 C ATOM 0 H LEU A 32 3.104 -0.886 4.129 1.00 0.00 H new ATOM 0 HA LEU A 32 4.417 -2.874 2.412 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.095 -0.960 2.146 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.840 -1.655 0.720 1.00 0.00 H new ATOM 0 HG LEU A 32 0.843 -2.891 1.366 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.812 -5.154 1.443 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.661 -4.111 0.277 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.395 -4.457 1.861 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.778 -4.184 3.463 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.321 -3.449 3.958 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.872 -2.434 3.770 1.00 0.00 H new ATOM 441 N THR A 33 5.865 -1.389 1.039 1.00 0.00 N ATOM 442 CA THR A 33 6.848 -0.547 0.368 1.00 0.00 C ATOM 443 C THR A 33 6.303 -0.010 -0.950 1.00 0.00 C ATOM 444 O THR A 33 6.312 -0.707 -1.965 1.00 0.00 O ATOM 445 CB THR A 33 8.154 -1.316 0.096 1.00 0.00 C ATOM 446 OG1 THR A 33 8.753 -1.719 1.333 1.00 0.00 O ATOM 447 CG2 THR A 33 9.133 -0.459 -0.691 1.00 0.00 C ATOM 0 H THR A 33 5.933 -2.381 0.810 1.00 0.00 H new ATOM 0 HA THR A 33 7.059 0.287 1.037 1.00 0.00 H new ATOM 0 HB THR A 33 7.912 -2.199 -0.495 1.00 0.00 H new ATOM 0 HG1 THR A 33 9.582 -2.209 1.151 1.00 0.00 H new ATOM 0 HG21 THR A 33 10.048 -1.024 -0.871 1.00 0.00 H new ATOM 0 HG22 THR A 33 8.686 -0.179 -1.645 1.00 0.00 H new ATOM 0 HG23 THR A 33 9.368 0.441 -0.122 1.00 0.00 H new ATOM 455 N ILE A 34 5.831 1.232 -0.928 1.00 0.00 N ATOM 456 CA ILE A 34 5.285 1.862 -2.124 1.00 0.00 C ATOM 457 C ILE A 34 6.365 2.065 -3.181 1.00 0.00 C ATOM 458 O ILE A 34 7.038 3.097 -3.205 1.00 0.00 O ATOM 459 CB ILE A 34 4.638 3.221 -1.798 1.00 0.00 C ATOM 460 CG1 ILE A 34 3.560 3.054 -0.725 1.00 0.00 C ATOM 461 CG2 ILE A 34 4.050 3.843 -3.056 1.00 0.00 C ATOM 462 CD1 ILE A 34 3.033 4.366 -0.188 1.00 0.00 C ATOM 0 H ILE A 34 5.816 1.822 -0.096 1.00 0.00 H new ATOM 0 HA ILE A 34 4.521 1.190 -2.515 1.00 0.00 H new ATOM 0 HB ILE A 34 5.407 3.889 -1.411 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.731 2.482 -1.141 1.00 0.00 H new ATOM 0 HG13 ILE A 34 3.968 2.471 0.100 1.00 0.00 H new ATOM 0 HG21 ILE A 34 3.596 4.803 -2.809 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.841 3.993 -3.791 1.00 0.00 H new ATOM 0 HG23 ILE A 34 3.291 3.179 -3.470 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.273 4.171 0.568 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.851 4.932 0.258 1.00 0.00 H new ATOM 0 HD13 ILE A 34 2.595 4.943 -1.003 1.00 0.00 H new ATOM 474 N LEU A 35 6.524 1.077 -4.054 1.00 0.00 N ATOM 475 CA LEU A 35 7.522 1.148 -5.116 1.00 0.00 C ATOM 476 C LEU A 35 7.351 2.420 -5.940 1.00 0.00 C ATOM 477 O LEU A 35 8.295 3.190 -6.112 1.00 0.00 O ATOM 478 CB LEU A 35 7.417 -0.079 -6.024 1.00 0.00 C ATOM 479 CG LEU A 35 7.522 -1.438 -5.330 1.00 0.00 C ATOM 480 CD1 LEU A 35 7.239 -2.562 -6.314 1.00 0.00 C ATOM 481 CD2 LEU A 35 8.897 -1.610 -4.701 1.00 0.00 C ATOM 0 H LEU A 35 5.975 0.217 -4.048 1.00 0.00 H new ATOM 0 HA LEU A 35 8.509 1.167 -4.653 1.00 0.00 H new ATOM 0 HB2 LEU A 35 6.464 -0.035 -6.552 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.202 -0.017 -6.778 1.00 0.00 H new ATOM 0 HG LEU A 35 6.775 -1.480 -4.538 1.00 0.00 H new ATOM 0 HD11 LEU A 35 7.318 -3.522 -5.803 1.00 0.00 H new ATOM 0 HD12 LEU A 35 6.233 -2.448 -6.717 1.00 0.00 H new ATOM 0 HD13 LEU A 35 7.963 -2.524 -7.128 1.00 0.00 H new ATOM 0 HD21 LEU A 35 8.954 -2.582 -4.212 1.00 0.00 H new ATOM 0 HD22 LEU A 35 9.662 -1.548 -5.475 1.00 0.00 H new ATOM 0 HD23 LEU A 35 9.061 -0.823 -3.965 1.00 0.00 H new ATOM 493 N GLU A 36 6.139 2.634 -6.444 1.00 0.00 N ATOM 494 CA GLU A 36 5.845 3.815 -7.248 1.00 0.00 C ATOM 495 C GLU A 36 4.389 4.238 -7.081 1.00 0.00 C ATOM 496 O GLU A 36 3.502 3.398 -6.932 1.00 0.00 O ATOM 497 CB GLU A 36 6.142 3.540 -8.724 1.00 0.00 C ATOM 498 CG GLU A 36 5.179 2.557 -9.366 1.00 0.00 C ATOM 499 CD GLU A 36 5.797 1.811 -10.533 1.00 0.00 C ATOM 500 OE1 GLU A 36 6.971 1.399 -10.417 1.00 0.00 O ATOM 501 OE2 GLU A 36 5.109 1.640 -11.560 1.00 0.00 O ATOM 0 H GLU A 36 5.346 2.006 -6.310 1.00 0.00 H new ATOM 0 HA GLU A 36 6.483 4.628 -6.901 1.00 0.00 H new ATOM 0 HB2 GLU A 36 6.108 4.480 -9.274 1.00 0.00 H new ATOM 0 HB3 GLU A 36 7.157 3.154 -8.816 1.00 0.00 H new ATOM 0 HG2 GLU A 36 4.845 1.839 -8.617 1.00 0.00 H new ATOM 0 HG3 GLU A 36 4.294 3.093 -9.710 1.00 0.00 H new ATOM 508 N GLN A 37 4.151 5.545 -7.107 1.00 0.00 N ATOM 509 CA GLN A 37 2.803 6.080 -6.958 1.00 0.00 C ATOM 510 C GLN A 37 2.165 6.336 -8.319 1.00 0.00 C ATOM 511 O GLN A 37 0.982 6.061 -8.523 1.00 0.00 O ATOM 512 CB GLN A 37 2.832 7.374 -6.142 1.00 0.00 C ATOM 513 CG GLN A 37 2.889 7.146 -4.640 1.00 0.00 C ATOM 514 CD GLN A 37 4.308 7.055 -4.117 1.00 0.00 C ATOM 515 OE1 GLN A 37 5.152 6.368 -4.693 1.00 0.00 O ATOM 516 NE2 GLN A 37 4.580 7.749 -3.018 1.00 0.00 N ATOM 0 H GLN A 37 4.874 6.253 -7.230 1.00 0.00 H new ATOM 0 HA GLN A 37 2.202 5.340 -6.430 1.00 0.00 H new ATOM 0 HB2 GLN A 37 3.697 7.965 -6.444 1.00 0.00 H new ATOM 0 HB3 GLN A 37 1.945 7.962 -6.378 1.00 0.00 H new ATOM 0 HG2 GLN A 37 2.371 7.960 -4.133 1.00 0.00 H new ATOM 0 HG3 GLN A 37 2.356 6.227 -4.395 1.00 0.00 H new ATOM 0 HE21 GLN A 37 3.850 8.305 -2.573 1.00 0.00 H new ATOM 0 HE22 GLN A 37 5.519 7.726 -2.619 1.00 0.00 H new ATOM 525 N HIS A 38 2.956 6.866 -9.247 1.00 0.00 N ATOM 526 CA HIS A 38 2.468 7.160 -10.590 1.00 0.00 C ATOM 527 C HIS A 38 2.102 5.876 -11.328 1.00 0.00 C ATOM 528 O HIS A 38 2.920 5.309 -12.052 1.00 0.00 O ATOM 529 CB HIS A 38 3.523 7.933 -11.381 1.00 0.00 C ATOM 530 CG HIS A 38 3.182 8.101 -12.830 1.00 0.00 C ATOM 531 ND1 HIS A 38 4.130 8.100 -13.831 1.00 0.00 N ATOM 532 CD2 HIS A 38 1.988 8.273 -13.444 1.00 0.00 C ATOM 533 CE1 HIS A 38 3.535 8.266 -14.998 1.00 0.00 C ATOM 534 NE2 HIS A 38 2.235 8.374 -14.791 1.00 0.00 N ATOM 0 H HIS A 38 3.937 7.100 -9.094 1.00 0.00 H new ATOM 0 HA HIS A 38 1.572 7.774 -10.498 1.00 0.00 H new ATOM 0 HB2 HIS A 38 3.654 8.917 -10.931 1.00 0.00 H new ATOM 0 HB3 HIS A 38 4.479 7.415 -11.299 1.00 0.00 H new ATOM 0 HD2 HIS A 38 1.022 8.322 -12.964 1.00 0.00 H new ATOM 0 HE1 HIS A 38 4.027 8.307 -15.958 1.00 0.00 H new ATOM 0 HE2 HIS A 38 1.529 8.510 -15.514 1.00 0.00 H new ATOM 543 N VAL A 39 0.867 5.421 -11.139 1.00 0.00 N ATOM 544 CA VAL A 39 0.392 4.204 -11.787 1.00 0.00 C ATOM 545 C VAL A 39 -0.800 4.493 -12.692 1.00 0.00 C ATOM 546 O VAL A 39 -1.953 4.494 -12.260 1.00 0.00 O ATOM 547 CB VAL A 39 -0.010 3.137 -10.751 1.00 0.00 C ATOM 548 CG1 VAL A 39 -0.409 1.844 -11.445 1.00 0.00 C ATOM 549 CG2 VAL A 39 1.125 2.896 -9.767 1.00 0.00 C ATOM 0 H VAL A 39 0.177 5.877 -10.542 1.00 0.00 H new ATOM 0 HA VAL A 39 1.217 3.823 -12.389 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.872 3.503 -10.193 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.690 1.102 -10.698 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.255 2.032 -12.106 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.432 1.470 -12.029 1.00 0.00 H new ATOM 0 HG21 VAL A 39 0.824 2.140 -9.042 1.00 0.00 H new ATOM 0 HG22 VAL A 39 2.007 2.551 -10.306 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.358 3.825 -9.246 1.00 0.00 H new ATOM 559 N PRO A 40 -0.519 4.743 -13.979 1.00 0.00 N ATOM 560 CA PRO A 40 -1.555 5.037 -14.973 1.00 0.00 C ATOM 561 C PRO A 40 -2.411 3.817 -15.296 1.00 0.00 C ATOM 562 O PRO A 40 -3.525 3.947 -15.802 1.00 0.00 O ATOM 563 CB PRO A 40 -0.753 5.469 -16.204 1.00 0.00 C ATOM 564 CG PRO A 40 0.572 4.809 -16.043 1.00 0.00 C ATOM 565 CD PRO A 40 0.833 4.759 -14.563 1.00 0.00 C ATOM 0 HA PRO A 40 -2.258 5.791 -14.619 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -1.243 5.155 -17.126 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -0.652 6.553 -16.250 1.00 0.00 H new ATOM 0 HG2 PRO A 40 0.563 3.807 -16.472 1.00 0.00 H new ATOM 0 HG3 PRO A 40 1.352 5.369 -16.558 1.00 0.00 H new ATOM 0 HD2 PRO A 40 1.401 3.872 -14.285 1.00 0.00 H new ATOM 0 HD3 PRO A 40 1.406 5.623 -14.226 1.00 0.00 H new ATOM 573 N GLU A 41 -1.882 2.634 -15.000 1.00 0.00 N ATOM 574 CA GLU A 41 -2.599 1.391 -15.260 1.00 0.00 C ATOM 575 C GLU A 41 -3.824 1.271 -14.358 1.00 0.00 C ATOM 576 O GLU A 41 -4.870 0.773 -14.776 1.00 0.00 O ATOM 577 CB GLU A 41 -1.676 0.190 -15.048 1.00 0.00 C ATOM 578 CG GLU A 41 -0.513 0.135 -16.024 1.00 0.00 C ATOM 579 CD GLU A 41 -0.947 -0.241 -17.428 1.00 0.00 C ATOM 580 OE1 GLU A 41 -1.623 -1.280 -17.582 1.00 0.00 O ATOM 581 OE2 GLU A 41 -0.612 0.504 -18.372 1.00 0.00 O ATOM 0 H GLU A 41 -0.961 2.510 -14.580 1.00 0.00 H new ATOM 0 HA GLU A 41 -2.933 1.404 -16.297 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.285 0.219 -14.031 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.259 -0.726 -15.139 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.018 1.106 -16.048 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.221 -0.588 -15.669 1.00 0.00 H new ATOM 588 N SER A 42 -3.686 1.731 -13.118 1.00 0.00 N ATOM 589 CA SER A 42 -4.779 1.671 -12.155 1.00 0.00 C ATOM 590 C SER A 42 -5.024 3.039 -11.526 1.00 0.00 C ATOM 591 O SER A 42 -4.134 3.614 -10.900 1.00 0.00 O ATOM 592 CB SER A 42 -4.471 0.643 -11.064 1.00 0.00 C ATOM 593 OG SER A 42 -4.776 -0.670 -11.500 1.00 0.00 O ATOM 0 H SER A 42 -2.828 2.149 -12.757 1.00 0.00 H new ATOM 0 HA SER A 42 -5.681 1.367 -12.686 1.00 0.00 H new ATOM 0 HB2 SER A 42 -3.418 0.703 -10.790 1.00 0.00 H new ATOM 0 HB3 SER A 42 -5.047 0.875 -10.168 1.00 0.00 H new ATOM 0 HG SER A 42 -5.185 -1.172 -10.765 1.00 0.00 H new ATOM 599 N GLU A 43 -6.238 3.554 -11.697 1.00 0.00 N ATOM 600 CA GLU A 43 -6.600 4.855 -11.147 1.00 0.00 C ATOM 601 C GLU A 43 -6.867 4.756 -9.648 1.00 0.00 C ATOM 602 O GLU A 43 -7.788 4.065 -9.215 1.00 0.00 O ATOM 603 CB GLU A 43 -7.834 5.410 -11.861 1.00 0.00 C ATOM 604 CG GLU A 43 -7.582 5.779 -13.313 1.00 0.00 C ATOM 605 CD GLU A 43 -6.555 6.884 -13.465 1.00 0.00 C ATOM 606 OE1 GLU A 43 -6.924 8.066 -13.301 1.00 0.00 O ATOM 607 OE2 GLU A 43 -5.380 6.567 -13.746 1.00 0.00 O ATOM 0 H GLU A 43 -6.987 3.090 -12.212 1.00 0.00 H new ATOM 0 HA GLU A 43 -5.762 5.534 -11.305 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -8.633 4.670 -11.816 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -8.187 6.292 -11.327 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -7.243 4.896 -13.855 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -8.519 6.094 -13.772 1.00 0.00 H new ATOM 614 N GLY A 44 -6.054 5.453 -8.860 1.00 0.00 N ATOM 615 CA GLY A 44 -6.218 5.431 -7.418 1.00 0.00 C ATOM 616 C GLY A 44 -5.667 4.165 -6.792 1.00 0.00 C ATOM 617 O GLY A 44 -6.324 3.541 -5.959 1.00 0.00 O ATOM 0 H GLY A 44 -5.284 6.033 -9.195 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -5.715 6.296 -6.985 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -7.276 5.523 -7.174 1.00 0.00 H new ATOM 621 N TRP A 45 -4.460 3.785 -7.194 1.00 0.00 N ATOM 622 CA TRP A 45 -3.822 2.584 -6.667 1.00 0.00 C ATOM 623 C TRP A 45 -2.327 2.806 -6.465 1.00 0.00 C ATOM 624 O TRP A 45 -1.732 3.689 -7.084 1.00 0.00 O ATOM 625 CB TRP A 45 -4.051 1.403 -7.612 1.00 0.00 C ATOM 626 CG TRP A 45 -5.439 0.843 -7.536 1.00 0.00 C ATOM 627 CD1 TRP A 45 -6.539 1.283 -8.216 1.00 0.00 C ATOM 628 CD2 TRP A 45 -5.875 -0.260 -6.734 1.00 0.00 C ATOM 629 NE1 TRP A 45 -7.633 0.520 -7.885 1.00 0.00 N ATOM 630 CE2 TRP A 45 -7.252 -0.434 -6.978 1.00 0.00 C ATOM 631 CE3 TRP A 45 -5.237 -1.118 -5.835 1.00 0.00 C ATOM 632 CZ2 TRP A 45 -7.998 -1.430 -6.354 1.00 0.00 C ATOM 633 CZ3 TRP A 45 -5.979 -2.106 -5.216 1.00 0.00 C ATOM 634 CH2 TRP A 45 -7.347 -2.256 -5.478 1.00 0.00 C ATOM 0 H TRP A 45 -3.903 4.291 -7.883 1.00 0.00 H new ATOM 0 HA TRP A 45 -4.271 2.359 -5.700 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -3.851 1.721 -8.635 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -3.335 0.615 -7.377 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -6.548 2.109 -8.912 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -8.576 0.644 -8.254 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -4.183 -1.011 -5.627 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -9.053 -1.547 -6.554 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -5.496 -2.774 -4.518 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -7.899 -3.039 -4.979 1.00 0.00 H new ATOM 645 N TRP A 46 -1.726 2.001 -5.597 1.00 0.00 N ATOM 646 CA TRP A 46 -0.299 2.110 -5.314 1.00 0.00 C ATOM 647 C TRP A 46 0.390 0.758 -5.459 1.00 0.00 C ATOM 648 O TRP A 46 -0.087 -0.252 -4.941 1.00 0.00 O ATOM 649 CB TRP A 46 -0.079 2.660 -3.904 1.00 0.00 C ATOM 650 CG TRP A 46 -0.349 4.130 -3.791 1.00 0.00 C ATOM 651 CD1 TRP A 46 -0.206 5.067 -4.773 1.00 0.00 C ATOM 652 CD2 TRP A 46 -0.807 4.830 -2.629 1.00 0.00 C ATOM 653 NE1 TRP A 46 -0.548 6.308 -4.292 1.00 0.00 N ATOM 654 CE2 TRP A 46 -0.921 6.189 -2.979 1.00 0.00 C ATOM 655 CE3 TRP A 46 -1.135 4.440 -1.327 1.00 0.00 C ATOM 656 CZ2 TRP A 46 -1.346 7.158 -2.074 1.00 0.00 C ATOM 657 CZ3 TRP A 46 -1.556 5.403 -0.430 1.00 0.00 C ATOM 658 CH2 TRP A 46 -1.660 6.749 -0.807 1.00 0.00 C ATOM 0 H TRP A 46 -2.204 1.265 -5.077 1.00 0.00 H new ATOM 0 HA TRP A 46 0.138 2.798 -6.037 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -0.725 2.125 -3.208 1.00 0.00 H new ATOM 0 HB3 TRP A 46 0.949 2.462 -3.601 1.00 0.00 H new ATOM 0 HD1 TRP A 46 0.127 4.863 -5.780 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -0.527 7.177 -4.826 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -1.061 3.405 -1.028 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -1.425 8.196 -2.362 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -1.809 5.114 0.579 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -1.995 7.477 -0.083 1.00 0.00 H new ATOM 669 N LYS A 47 1.514 0.744 -6.167 1.00 0.00 N ATOM 670 CA LYS A 47 2.270 -0.484 -6.379 1.00 0.00 C ATOM 671 C LYS A 47 3.252 -0.723 -5.237 1.00 0.00 C ATOM 672 O LYS A 47 4.294 -0.071 -5.155 1.00 0.00 O ATOM 673 CB LYS A 47 3.024 -0.420 -7.710 1.00 0.00 C ATOM 674 CG LYS A 47 3.253 -1.780 -8.346 1.00 0.00 C ATOM 675 CD LYS A 47 3.365 -1.676 -9.858 1.00 0.00 C ATOM 676 CE LYS A 47 4.803 -1.447 -10.296 1.00 0.00 C ATOM 677 NZ LYS A 47 5.056 -1.974 -11.665 1.00 0.00 N ATOM 0 H LYS A 47 1.922 1.570 -6.604 1.00 0.00 H new ATOM 0 HA LYS A 47 1.565 -1.315 -6.408 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.465 0.207 -8.405 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.988 0.063 -7.549 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.163 -2.223 -7.942 1.00 0.00 H new ATOM 0 HG3 LYS A 47 2.431 -2.447 -8.086 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.985 -2.589 -10.316 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.740 -0.857 -10.215 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.025 -0.380 -10.271 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.479 -1.930 -9.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 6.047 -1.799 -11.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 4.869 -2.997 -11.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.429 -1.495 -12.343 1.00 0.00 H new ATOM 691 N CYS A 48 2.915 -1.661 -4.359 1.00 0.00 N ATOM 692 CA CYS A 48 3.768 -1.986 -3.222 1.00 0.00 C ATOM 693 C CYS A 48 4.345 -3.391 -3.359 1.00 0.00 C ATOM 694 O CYS A 48 3.938 -4.159 -4.232 1.00 0.00 O ATOM 695 CB CYS A 48 2.979 -1.871 -1.917 1.00 0.00 C ATOM 696 SG CYS A 48 2.266 -0.235 -1.627 1.00 0.00 S ATOM 0 H CYS A 48 2.057 -2.210 -4.413 1.00 0.00 H new ATOM 0 HA CYS A 48 4.593 -1.274 -3.203 1.00 0.00 H new ATOM 0 HB2 CYS A 48 2.177 -2.609 -1.924 1.00 0.00 H new ATOM 0 HB3 CYS A 48 3.636 -2.122 -1.084 1.00 0.00 H new ATOM 0 HG CYS A 48 1.617 -0.238 -0.501 1.00 0.00 H new ATOM 702 N LEU A 49 5.296 -3.722 -2.492 1.00 0.00 N ATOM 703 CA LEU A 49 5.931 -5.035 -2.517 1.00 0.00 C ATOM 704 C LEU A 49 5.927 -5.668 -1.130 1.00 0.00 C ATOM 705 O LEU A 49 6.405 -5.074 -0.162 1.00 0.00 O ATOM 706 CB LEU A 49 7.367 -4.919 -3.033 1.00 0.00 C ATOM 707 CG LEU A 49 8.147 -6.229 -3.146 1.00 0.00 C ATOM 708 CD1 LEU A 49 8.431 -6.802 -1.766 1.00 0.00 C ATOM 709 CD2 LEU A 49 7.383 -7.233 -3.996 1.00 0.00 C ATOM 0 H LEU A 49 5.644 -3.099 -1.763 1.00 0.00 H new ATOM 0 HA LEU A 49 5.360 -5.675 -3.190 1.00 0.00 H new ATOM 0 HB2 LEU A 49 7.342 -4.448 -4.016 1.00 0.00 H new ATOM 0 HB3 LEU A 49 7.916 -4.248 -2.372 1.00 0.00 H new ATOM 0 HG LEU A 49 9.100 -6.022 -3.633 1.00 0.00 H new ATOM 0 HD11 LEU A 49 8.987 -7.734 -1.866 1.00 0.00 H new ATOM 0 HD12 LEU A 49 9.020 -6.088 -1.190 1.00 0.00 H new ATOM 0 HD13 LEU A 49 7.490 -6.995 -1.251 1.00 0.00 H new ATOM 0 HD21 LEU A 49 7.953 -8.159 -4.065 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.415 -7.436 -3.537 1.00 0.00 H new ATOM 0 HD23 LEU A 49 7.232 -6.824 -4.995 1.00 0.00 H new ATOM 721 N LEU A 50 5.385 -6.878 -1.039 1.00 0.00 N ATOM 722 CA LEU A 50 5.321 -7.594 0.230 1.00 0.00 C ATOM 723 C LEU A 50 5.466 -9.097 0.015 1.00 0.00 C ATOM 724 O LEU A 50 4.775 -9.686 -0.817 1.00 0.00 O ATOM 725 CB LEU A 50 3.999 -7.294 0.941 1.00 0.00 C ATOM 726 CG LEU A 50 3.877 -7.808 2.375 1.00 0.00 C ATOM 727 CD1 LEU A 50 4.402 -6.774 3.359 1.00 0.00 C ATOM 728 CD2 LEU A 50 2.432 -8.164 2.693 1.00 0.00 C ATOM 0 H LEU A 50 4.984 -7.383 -1.829 1.00 0.00 H new ATOM 0 HA LEU A 50 6.148 -7.253 0.854 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.851 -6.214 0.950 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.188 -7.722 0.352 1.00 0.00 H new ATOM 0 HG LEU A 50 4.482 -8.710 2.470 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.307 -7.157 4.375 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.451 -6.568 3.145 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.825 -5.854 3.263 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.364 -8.528 3.718 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.806 -7.279 2.580 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.090 -8.940 2.009 1.00 0.00 H new ATOM 740 N HIS A 51 6.368 -9.713 0.772 1.00 0.00 N ATOM 741 CA HIS A 51 6.602 -11.149 0.667 1.00 0.00 C ATOM 742 C HIS A 51 6.602 -11.594 -0.793 1.00 0.00 C ATOM 743 O HIS A 51 6.048 -12.638 -1.134 1.00 0.00 O ATOM 744 CB HIS A 51 5.537 -11.920 1.447 1.00 0.00 C ATOM 745 CG HIS A 51 5.646 -11.755 2.932 1.00 0.00 C ATOM 746 ND1 HIS A 51 5.483 -12.798 3.819 1.00 0.00 N ATOM 747 CD2 HIS A 51 5.904 -10.659 3.684 1.00 0.00 C ATOM 748 CE1 HIS A 51 5.635 -12.351 5.053 1.00 0.00 C ATOM 749 NE2 HIS A 51 5.891 -11.056 4.999 1.00 0.00 N ATOM 0 H HIS A 51 6.949 -9.241 1.465 1.00 0.00 H new ATOM 0 HA HIS A 51 7.581 -11.364 1.095 1.00 0.00 H new ATOM 0 HB2 HIS A 51 4.550 -11.588 1.124 1.00 0.00 H new ATOM 0 HB3 HIS A 51 5.613 -12.979 1.201 1.00 0.00 H new ATOM 0 HD2 HIS A 51 6.086 -9.659 3.318 1.00 0.00 H new ATOM 0 HE1 HIS A 51 5.562 -12.944 5.953 1.00 0.00 H new ATOM 0 HE2 HIS A 51 6.053 -10.450 5.803 1.00 0.00 H new ATOM 758 N GLY A 52 7.226 -10.793 -1.651 1.00 0.00 N ATOM 759 CA GLY A 52 7.285 -11.120 -3.064 1.00 0.00 C ATOM 760 C GLY A 52 5.916 -11.124 -3.715 1.00 0.00 C ATOM 761 O GLY A 52 5.548 -12.081 -4.396 1.00 0.00 O ATOM 0 H GLY A 52 7.692 -9.923 -1.393 1.00 0.00 H new ATOM 0 HA2 GLY A 52 7.925 -10.400 -3.574 1.00 0.00 H new ATOM 0 HA3 GLY A 52 7.746 -12.100 -3.188 1.00 0.00 H new ATOM 765 N ARG A 53 5.160 -10.051 -3.506 1.00 0.00 N ATOM 766 CA ARG A 53 3.823 -9.936 -4.076 1.00 0.00 C ATOM 767 C ARG A 53 3.838 -9.062 -5.326 1.00 0.00 C ATOM 768 O ARG A 53 3.404 -9.487 -6.397 1.00 0.00 O ATOM 769 CB ARG A 53 2.854 -9.353 -3.045 1.00 0.00 C ATOM 770 CG ARG A 53 2.347 -10.374 -2.040 1.00 0.00 C ATOM 771 CD ARG A 53 1.199 -11.193 -2.609 1.00 0.00 C ATOM 772 NE ARG A 53 0.541 -11.999 -1.585 1.00 0.00 N ATOM 773 CZ ARG A 53 0.983 -13.186 -1.187 1.00 0.00 C ATOM 774 NH1 ARG A 53 2.079 -13.704 -1.724 1.00 0.00 N ATOM 775 NH2 ARG A 53 0.328 -13.859 -0.249 1.00 0.00 N ATOM 0 H ARG A 53 5.451 -9.249 -2.946 1.00 0.00 H new ATOM 0 HA ARG A 53 3.488 -10.935 -4.356 1.00 0.00 H new ATOM 0 HB2 ARG A 53 3.350 -8.544 -2.509 1.00 0.00 H new ATOM 0 HB3 ARG A 53 2.003 -8.915 -3.566 1.00 0.00 H new ATOM 0 HG2 ARG A 53 3.162 -11.038 -1.752 1.00 0.00 H new ATOM 0 HG3 ARG A 53 2.018 -9.863 -1.135 1.00 0.00 H new ATOM 0 HD2 ARG A 53 0.470 -10.525 -3.068 1.00 0.00 H new ATOM 0 HD3 ARG A 53 1.575 -11.845 -3.397 1.00 0.00 H new ATOM 0 HE ARG A 53 -0.305 -11.630 -1.151 1.00 0.00 H new ATOM 0 HH11 ARG A 53 2.585 -13.190 -2.445 1.00 0.00 H new ATOM 0 HH12 ARG A 53 2.416 -14.616 -1.416 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -0.516 -13.464 0.167 1.00 0.00 H new ATOM 0 HH22 ARG A 53 0.668 -14.771 0.056 1.00 0.00 H new ATOM 789 N GLN A 54 4.341 -7.840 -5.182 1.00 0.00 N ATOM 790 CA GLN A 54 4.411 -6.907 -6.300 1.00 0.00 C ATOM 791 C GLN A 54 3.019 -6.603 -6.844 1.00 0.00 C ATOM 792 O GLN A 54 2.769 -6.728 -8.042 1.00 0.00 O ATOM 793 CB GLN A 54 5.293 -7.476 -7.412 1.00 0.00 C ATOM 794 CG GLN A 54 6.769 -7.152 -7.245 1.00 0.00 C ATOM 795 CD GLN A 54 7.562 -7.367 -8.519 1.00 0.00 C ATOM 796 OE1 GLN A 54 7.040 -7.207 -9.623 1.00 0.00 O ATOM 797 NE2 GLN A 54 8.830 -7.732 -8.373 1.00 0.00 N ATOM 0 H GLN A 54 4.706 -7.473 -4.303 1.00 0.00 H new ATOM 0 HA GLN A 54 4.850 -5.978 -5.937 1.00 0.00 H new ATOM 0 HB2 GLN A 54 5.169 -8.558 -7.445 1.00 0.00 H new ATOM 0 HB3 GLN A 54 4.951 -7.087 -8.371 1.00 0.00 H new ATOM 0 HG2 GLN A 54 6.876 -6.115 -6.926 1.00 0.00 H new ATOM 0 HG3 GLN A 54 7.186 -7.774 -6.453 1.00 0.00 H new ATOM 0 HE21 GLN A 54 9.222 -7.853 -7.439 1.00 0.00 H new ATOM 0 HE22 GLN A 54 9.413 -7.891 -9.195 1.00 0.00 H new ATOM 806 N GLY A 55 2.116 -6.202 -5.954 1.00 0.00 N ATOM 807 CA GLY A 55 0.760 -5.886 -6.364 1.00 0.00 C ATOM 808 C GLY A 55 0.359 -4.470 -6.001 1.00 0.00 C ATOM 809 O GLY A 55 1.052 -3.797 -5.237 1.00 0.00 O ATOM 0 H GLY A 55 2.299 -6.090 -4.957 1.00 0.00 H new ATOM 0 HA2 GLY A 55 0.669 -6.021 -7.442 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.069 -6.587 -5.895 1.00 0.00 H new ATOM 813 N LEU A 56 -0.761 -4.015 -6.552 1.00 0.00 N ATOM 814 CA LEU A 56 -1.252 -2.668 -6.284 1.00 0.00 C ATOM 815 C LEU A 56 -2.001 -2.616 -4.956 1.00 0.00 C ATOM 816 O LEU A 56 -2.329 -3.651 -4.376 1.00 0.00 O ATOM 817 CB LEU A 56 -2.168 -2.203 -7.417 1.00 0.00 C ATOM 818 CG LEU A 56 -1.571 -2.248 -8.824 1.00 0.00 C ATOM 819 CD1 LEU A 56 -2.663 -2.109 -9.873 1.00 0.00 C ATOM 820 CD2 LEU A 56 -0.524 -1.156 -8.994 1.00 0.00 C ATOM 0 H LEU A 56 -1.346 -4.559 -7.187 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.393 -2.000 -6.222 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.068 -2.818 -7.406 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -2.479 -1.179 -7.209 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.086 -3.214 -8.961 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.219 -2.143 -10.868 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -3.376 -2.926 -9.766 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -3.178 -1.158 -9.738 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.110 -1.203 -10.001 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.986 -0.181 -8.837 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.274 -1.301 -8.266 1.00 0.00 H new ATOM 832 N ALA A 57 -2.271 -1.404 -4.481 1.00 0.00 N ATOM 833 CA ALA A 57 -2.985 -1.217 -3.225 1.00 0.00 C ATOM 834 C ALA A 57 -3.853 0.036 -3.267 1.00 0.00 C ATOM 835 O ALA A 57 -3.483 1.057 -3.847 1.00 0.00 O ATOM 836 CB ALA A 57 -2.002 -1.141 -2.065 1.00 0.00 C ATOM 0 H ALA A 57 -2.005 -0.537 -4.948 1.00 0.00 H new ATOM 0 HA ALA A 57 -3.640 -2.076 -3.077 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.549 -1.001 -1.133 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.428 -2.066 -2.013 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -1.324 -0.301 -2.217 1.00 0.00 H new ATOM 842 N PRO A 58 -5.036 -0.042 -2.640 1.00 0.00 N ATOM 843 CA PRO A 58 -5.982 1.077 -2.593 1.00 0.00 C ATOM 844 C PRO A 58 -5.482 2.222 -1.718 1.00 0.00 C ATOM 845 O PRO A 58 -5.345 2.073 -0.504 1.00 0.00 O ATOM 846 CB PRO A 58 -7.241 0.453 -1.988 1.00 0.00 C ATOM 847 CG PRO A 58 -6.745 -0.706 -1.193 1.00 0.00 C ATOM 848 CD PRO A 58 -5.542 -1.227 -1.928 1.00 0.00 C ATOM 0 HA PRO A 58 -6.140 1.519 -3.577 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -7.773 1.166 -1.358 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -7.936 0.132 -2.764 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -6.482 -0.401 -0.180 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -7.512 -1.476 -1.105 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -4.797 -1.632 -1.243 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -5.809 -2.027 -2.619 1.00 0.00 H new ATOM 856 N ALA A 59 -5.212 3.364 -2.342 1.00 0.00 N ATOM 857 CA ALA A 59 -4.730 4.534 -1.620 1.00 0.00 C ATOM 858 C ALA A 59 -5.723 4.963 -0.545 1.00 0.00 C ATOM 859 O ALA A 59 -5.386 5.735 0.352 1.00 0.00 O ATOM 860 CB ALA A 59 -4.467 5.680 -2.586 1.00 0.00 C ATOM 0 H ALA A 59 -5.319 3.503 -3.347 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.795 4.267 -1.128 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -4.107 6.547 -2.032 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -3.715 5.377 -3.314 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -5.390 5.938 -3.105 1.00 0.00 H new ATOM 866 N ASN A 60 -6.949 4.459 -0.643 1.00 0.00 N ATOM 867 CA ASN A 60 -7.992 4.791 0.321 1.00 0.00 C ATOM 868 C ASN A 60 -7.792 4.026 1.625 1.00 0.00 C ATOM 869 O ASN A 60 -8.351 4.387 2.661 1.00 0.00 O ATOM 870 CB ASN A 60 -9.372 4.478 -0.261 1.00 0.00 C ATOM 871 CG ASN A 60 -9.737 5.398 -1.410 1.00 0.00 C ATOM 872 OD1 ASN A 60 -10.032 6.576 -1.206 1.00 0.00 O ATOM 873 ND2 ASN A 60 -9.720 4.863 -2.625 1.00 0.00 N ATOM 0 H ASN A 60 -7.245 3.819 -1.380 1.00 0.00 H new ATOM 0 HA ASN A 60 -7.928 5.858 0.534 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -9.392 3.444 -0.606 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -10.123 4.566 0.524 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -9.958 5.433 -3.437 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -9.469 3.882 -2.747 1.00 0.00 H new ATOM 880 N ARG A 61 -6.990 2.967 1.566 1.00 0.00 N ATOM 881 CA ARG A 61 -6.716 2.150 2.742 1.00 0.00 C ATOM 882 C ARG A 61 -5.245 2.241 3.137 1.00 0.00 C ATOM 883 O ARG A 61 -4.828 1.680 4.151 1.00 0.00 O ATOM 884 CB ARG A 61 -7.095 0.692 2.475 1.00 0.00 C ATOM 885 CG ARG A 61 -8.523 0.513 1.988 1.00 0.00 C ATOM 886 CD ARG A 61 -8.998 -0.921 2.169 1.00 0.00 C ATOM 887 NE ARG A 61 -10.436 -1.052 1.954 1.00 0.00 N ATOM 888 CZ ARG A 61 -11.347 -0.759 2.876 1.00 0.00 C ATOM 889 NH1 ARG A 61 -10.970 -0.320 4.069 1.00 0.00 N ATOM 890 NH2 ARG A 61 -12.638 -0.905 2.605 1.00 0.00 N ATOM 0 H ARG A 61 -6.519 2.655 0.717 1.00 0.00 H new ATOM 0 HA ARG A 61 -7.319 2.530 3.566 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -6.412 0.278 1.733 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -6.957 0.116 3.390 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -9.182 1.187 2.534 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -8.587 0.788 0.935 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -8.467 -1.570 1.472 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -8.749 -1.261 3.174 1.00 0.00 H new ATOM 0 HE ARG A 61 -10.759 -1.387 1.046 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -9.979 -0.206 4.281 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -11.671 -0.096 4.775 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -12.932 -1.242 1.688 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -13.336 -0.680 3.313 1.00 0.00 H new ATOM 904 N LEU A 62 -4.464 2.950 2.330 1.00 0.00 N ATOM 905 CA LEU A 62 -3.039 3.115 2.594 1.00 0.00 C ATOM 906 C LEU A 62 -2.741 4.515 3.120 1.00 0.00 C ATOM 907 O LEU A 62 -3.154 5.512 2.528 1.00 0.00 O ATOM 908 CB LEU A 62 -2.231 2.853 1.322 1.00 0.00 C ATOM 909 CG LEU A 62 -1.955 1.385 0.993 1.00 0.00 C ATOM 910 CD1 LEU A 62 -1.275 0.694 2.164 1.00 0.00 C ATOM 911 CD2 LEU A 62 -3.246 0.669 0.625 1.00 0.00 C ATOM 0 H LEU A 62 -4.794 3.420 1.487 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.750 2.392 3.356 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.761 3.300 0.481 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.276 3.371 1.409 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.284 1.345 0.135 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.087 -0.349 1.911 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.330 1.191 2.381 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.921 0.744 3.041 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.030 -0.374 0.394 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.941 0.719 1.463 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.693 1.149 -0.246 1.00 0.00 H new ATOM 923 N GLN A 63 -2.020 4.582 4.235 1.00 0.00 N ATOM 924 CA GLN A 63 -1.665 5.861 4.839 1.00 0.00 C ATOM 925 C GLN A 63 -0.204 6.205 4.567 1.00 0.00 C ATOM 926 O GLN A 63 0.700 5.664 5.204 1.00 0.00 O ATOM 927 CB GLN A 63 -1.920 5.824 6.347 1.00 0.00 C ATOM 928 CG GLN A 63 -1.459 7.078 7.072 1.00 0.00 C ATOM 929 CD GLN A 63 -1.812 7.063 8.546 1.00 0.00 C ATOM 930 OE1 GLN A 63 -2.579 7.900 9.022 1.00 0.00 O ATOM 931 NE2 GLN A 63 -1.253 6.106 9.279 1.00 0.00 N ATOM 0 H GLN A 63 -1.671 3.766 4.738 1.00 0.00 H new ATOM 0 HA GLN A 63 -2.290 6.633 4.390 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -2.986 5.683 6.524 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -1.410 4.960 6.772 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -0.379 7.181 6.962 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -1.912 7.952 6.603 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -0.623 5.432 8.844 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -1.454 6.045 10.277 1.00 0.00 H new ATOM 940 N ILE A 64 0.018 7.108 3.618 1.00 0.00 N ATOM 941 CA ILE A 64 1.369 7.524 3.262 1.00 0.00 C ATOM 942 C ILE A 64 2.081 8.155 4.454 1.00 0.00 C ATOM 943 O ILE A 64 1.830 9.310 4.801 1.00 0.00 O ATOM 944 CB ILE A 64 1.360 8.527 2.094 1.00 0.00 C ATOM 945 CG1 ILE A 64 0.666 7.917 0.875 1.00 0.00 C ATOM 946 CG2 ILE A 64 2.780 8.948 1.746 1.00 0.00 C ATOM 947 CD1 ILE A 64 1.145 6.521 0.542 1.00 0.00 C ATOM 0 H ILE A 64 -0.720 7.565 3.082 1.00 0.00 H new ATOM 0 HA ILE A 64 1.905 6.626 2.954 1.00 0.00 H new ATOM 0 HB ILE A 64 0.804 9.413 2.400 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -0.409 7.890 1.055 1.00 0.00 H new ATOM 0 HG13 ILE A 64 0.829 8.564 0.013 1.00 0.00 H new ATOM 0 HG21 ILE A 64 2.757 9.657 0.919 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.243 9.418 2.614 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.359 8.071 1.456 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.610 6.152 -0.333 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.214 6.544 0.330 1.00 0.00 H new ATOM 0 HD13 ILE A 64 0.957 5.860 1.388 1.00 0.00 H new ATOM 959 N LEU A 65 2.972 7.391 5.076 1.00 0.00 N ATOM 960 CA LEU A 65 3.724 7.876 6.229 1.00 0.00 C ATOM 961 C LEU A 65 4.939 8.685 5.786 1.00 0.00 C ATOM 962 O LEU A 65 5.872 8.146 5.190 1.00 0.00 O ATOM 963 CB LEU A 65 4.169 6.702 7.103 1.00 0.00 C ATOM 964 CG LEU A 65 3.049 5.860 7.716 1.00 0.00 C ATOM 965 CD1 LEU A 65 3.618 4.606 8.361 1.00 0.00 C ATOM 966 CD2 LEU A 65 2.264 6.676 8.733 1.00 0.00 C ATOM 0 H LEU A 65 3.192 6.433 4.802 1.00 0.00 H new ATOM 0 HA LEU A 65 3.071 8.526 6.810 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.802 6.048 6.503 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.788 7.091 7.911 1.00 0.00 H new ATOM 0 HG LEU A 65 2.369 5.558 6.920 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.807 4.019 8.792 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.135 4.012 7.608 1.00 0.00 H new ATOM 0 HD13 LEU A 65 4.320 4.887 9.146 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.471 6.061 9.159 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.933 7.008 9.527 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.825 7.545 8.242 1.00 0.00 H new