USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 442 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 10 TYR OH : rot 180:sc= -0.0241 USER MOD Set 1.2: A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 35:sc= 0.0366 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot -170:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=-0.05) USER MOD Single : A 22 CYS SG : rot 180:sc= -0.26 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 43:sc= 0.462 USER MOD Single : A 28 HIS : no HD1:sc= -0.0011 X(o=-0.0011,f=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.314 K(o=-0.31,f=-3.5!) USER MOD Single : A 49 SER OG : rot 45:sc= 0.967 USER MOD Single : A 54 SER OG : rot -102:sc= 0.0606 USER MOD Single : A 63 GLN : amide:sc= -5.59! C(o=-5.6!,f=-7.8!) USER MOD ----------------------------------------------------------------- ATOM 77 N GLY A 9 3.300 -4.301 -2.345 1.00 0.00 N ATOM 78 CA GLY A 9 2.464 -4.132 -1.171 1.00 0.00 C ATOM 79 C GLY A 9 2.490 -2.712 -0.639 1.00 0.00 C ATOM 80 O GLY A 9 2.729 -2.491 0.548 1.00 0.00 O ATOM 0 HA2 GLY A 9 1.438 -4.406 -1.417 1.00 0.00 H new ATOM 0 HA3 GLY A 9 2.798 -4.815 -0.390 1.00 0.00 H new ATOM 84 N TYR A 10 2.246 -1.748 -1.520 1.00 0.00 N ATOM 85 CA TYR A 10 2.246 -0.342 -1.134 1.00 0.00 C ATOM 86 C TYR A 10 1.030 0.380 -1.707 1.00 0.00 C ATOM 87 O TYR A 10 0.779 0.340 -2.911 1.00 0.00 O ATOM 88 CB TYR A 10 3.530 0.339 -1.612 1.00 0.00 C ATOM 89 CG TYR A 10 4.660 0.272 -0.610 1.00 0.00 C ATOM 90 CD1 TYR A 10 5.340 -0.917 -0.379 1.00 0.00 C ATOM 91 CD2 TYR A 10 5.046 1.398 0.107 1.00 0.00 C ATOM 92 CE1 TYR A 10 6.373 -0.983 0.536 1.00 0.00 C ATOM 93 CE2 TYR A 10 6.079 1.342 1.023 1.00 0.00 C ATOM 94 CZ TYR A 10 6.739 0.149 1.234 1.00 0.00 C ATOM 95 OH TYR A 10 7.767 0.089 2.147 1.00 0.00 O ATOM 0 H TYR A 10 2.046 -1.915 -2.506 1.00 0.00 H new ATOM 0 HA TYR A 10 2.198 -0.289 -0.046 1.00 0.00 H new ATOM 0 HB2 TYR A 10 3.853 -0.126 -2.543 1.00 0.00 H new ATOM 0 HB3 TYR A 10 3.315 1.384 -1.836 1.00 0.00 H new ATOM 0 HD1 TYR A 10 5.056 -1.805 -0.924 1.00 0.00 H new ATOM 0 HD2 TYR A 10 4.530 2.333 -0.054 1.00 0.00 H new ATOM 0 HE1 TYR A 10 6.891 -1.916 0.704 1.00 0.00 H new ATOM 0 HE2 TYR A 10 6.368 2.227 1.571 1.00 0.00 H new ATOM 0 HH TYR A 10 7.898 0.972 2.550 1.00 0.00 H new ATOM 105 N VAL A 11 0.278 1.042 -0.833 1.00 0.00 N ATOM 106 CA VAL A 11 -0.911 1.776 -1.250 1.00 0.00 C ATOM 107 C VAL A 11 -0.795 3.255 -0.898 1.00 0.00 C ATOM 108 O VAL A 11 -0.245 3.615 0.143 1.00 0.00 O ATOM 109 CB VAL A 11 -2.182 1.202 -0.596 1.00 0.00 C ATOM 110 CG1 VAL A 11 -2.365 -0.259 -0.976 1.00 0.00 C ATOM 111 CG2 VAL A 11 -2.124 1.365 0.915 1.00 0.00 C ATOM 0 H VAL A 11 0.471 1.085 0.168 1.00 0.00 H new ATOM 0 HA VAL A 11 -0.987 1.668 -2.332 1.00 0.00 H new ATOM 0 HB VAL A 11 -3.043 1.759 -0.966 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -3.268 -0.647 -0.505 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -2.455 -0.345 -2.059 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.503 -0.834 -0.637 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -3.030 0.954 1.360 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.255 0.835 1.305 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.045 2.423 1.164 1.00 0.00 H new ATOM 121 N ILE A 12 -1.317 4.108 -1.773 1.00 0.00 N ATOM 122 CA ILE A 12 -1.274 5.548 -1.554 1.00 0.00 C ATOM 123 C ILE A 12 -2.633 6.078 -1.110 1.00 0.00 C ATOM 124 O ILE A 12 -3.666 5.461 -1.369 1.00 0.00 O ATOM 125 CB ILE A 12 -0.833 6.298 -2.825 1.00 0.00 C ATOM 126 CG1 ILE A 12 -0.496 7.753 -2.494 1.00 0.00 C ATOM 127 CG2 ILE A 12 -1.922 6.229 -3.885 1.00 0.00 C ATOM 128 CD1 ILE A 12 0.335 8.437 -3.557 1.00 0.00 C ATOM 0 H ILE A 12 -1.775 3.827 -2.640 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.543 5.725 -0.765 1.00 0.00 H new ATOM 0 HB ILE A 12 0.063 5.818 -3.220 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -1.423 8.310 -2.355 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.042 7.787 -1.546 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.596 6.763 -4.777 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.118 5.187 -4.138 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -2.833 6.687 -3.501 1.00 0.00 H new ATOM 0 HD11 ILE A 12 0.536 9.465 -3.256 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.278 7.904 -3.681 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -0.209 8.435 -4.501 1.00 0.00 H new ATOM 140 N ALA A 13 -2.625 7.227 -0.443 1.00 0.00 N ATOM 141 CA ALA A 13 -3.857 7.843 0.034 1.00 0.00 C ATOM 142 C ALA A 13 -4.498 8.700 -1.053 1.00 0.00 C ATOM 143 O ALA A 13 -3.965 9.744 -1.429 1.00 0.00 O ATOM 144 CB ALA A 13 -3.585 8.678 1.275 1.00 0.00 C ATOM 0 H ALA A 13 -1.778 7.751 -0.220 1.00 0.00 H new ATOM 0 HA ALA A 13 -4.555 7.047 0.292 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.514 9.132 1.619 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.179 8.041 2.061 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.866 9.461 1.036 1.00 0.00 H new ATOM 150 N LEU A 14 -5.644 8.252 -1.554 1.00 0.00 N ATOM 151 CA LEU A 14 -6.358 8.978 -2.598 1.00 0.00 C ATOM 152 C LEU A 14 -6.941 10.280 -2.056 1.00 0.00 C ATOM 153 O LEU A 14 -7.060 11.267 -2.781 1.00 0.00 O ATOM 154 CB LEU A 14 -7.475 8.109 -3.178 1.00 0.00 C ATOM 155 CG LEU A 14 -7.031 6.824 -3.878 1.00 0.00 C ATOM 156 CD1 LEU A 14 -8.219 5.903 -4.106 1.00 0.00 C ATOM 157 CD2 LEU A 14 -6.342 7.145 -5.196 1.00 0.00 C ATOM 0 H LEU A 14 -6.098 7.390 -1.254 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.647 9.221 -3.388 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -8.157 7.842 -2.371 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -8.043 8.709 -3.889 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.317 6.310 -3.234 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.884 4.994 -4.605 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -8.669 5.646 -3.147 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -8.957 6.408 -4.729 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.033 6.219 -5.680 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -7.033 7.681 -5.847 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.466 7.765 -5.007 1.00 0.00 H new ATOM 169 N ARG A 15 -7.300 10.274 -0.776 1.00 0.00 N ATOM 170 CA ARG A 15 -7.868 11.454 -0.137 1.00 0.00 C ATOM 171 C ARG A 15 -7.332 11.614 1.283 1.00 0.00 C ATOM 172 O ARG A 15 -6.833 10.660 1.880 1.00 0.00 O ATOM 173 CB ARG A 15 -9.395 11.360 -0.110 1.00 0.00 C ATOM 174 CG ARG A 15 -9.914 9.993 0.306 1.00 0.00 C ATOM 175 CD ARG A 15 -11.262 10.097 1.002 1.00 0.00 C ATOM 176 NE ARG A 15 -12.370 10.087 0.051 1.00 0.00 N ATOM 177 CZ ARG A 15 -13.641 10.255 0.402 1.00 0.00 C ATOM 178 NH1 ARG A 15 -13.961 10.444 1.675 1.00 0.00 N ATOM 179 NH2 ARG A 15 -14.593 10.233 -0.521 1.00 0.00 N ATOM 0 H ARG A 15 -7.207 9.465 -0.162 1.00 0.00 H new ATOM 0 HA ARG A 15 -7.575 12.328 -0.718 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -9.785 12.112 0.577 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -9.783 11.601 -1.100 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -10.005 9.354 -0.573 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -9.195 9.517 0.973 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -11.375 9.267 1.699 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -11.297 11.014 1.590 1.00 0.00 H new ATOM 0 HE ARG A 15 -12.157 9.943 -0.936 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -13.231 10.461 2.387 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -14.937 10.573 1.942 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -14.350 10.087 -1.501 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -15.568 10.362 -0.251 1.00 0.00 H new ATOM 193 N SER A 16 -7.440 12.826 1.818 1.00 0.00 N ATOM 194 CA SER A 16 -6.963 13.113 3.165 1.00 0.00 C ATOM 195 C SER A 16 -7.865 12.463 4.211 1.00 0.00 C ATOM 196 O SER A 16 -9.087 12.611 4.171 1.00 0.00 O ATOM 197 CB SER A 16 -6.901 14.624 3.397 1.00 0.00 C ATOM 198 OG SER A 16 -8.139 15.239 3.085 1.00 0.00 O ATOM 0 H SER A 16 -7.854 13.625 1.338 1.00 0.00 H new ATOM 0 HA SER A 16 -5.961 12.696 3.265 1.00 0.00 H new ATOM 0 HB2 SER A 16 -6.643 14.825 4.437 1.00 0.00 H new ATOM 0 HB3 SER A 16 -6.111 15.057 2.783 1.00 0.00 H new ATOM 0 HG SER A 16 -8.874 14.638 3.329 1.00 0.00 H new ATOM 204 N TYR A 17 -7.254 11.743 5.145 1.00 0.00 N ATOM 205 CA TYR A 17 -8.000 11.068 6.200 1.00 0.00 C ATOM 206 C TYR A 17 -7.671 11.662 7.566 1.00 0.00 C ATOM 207 O TYR A 17 -6.740 11.219 8.239 1.00 0.00 O ATOM 208 CB TYR A 17 -7.690 9.570 6.194 1.00 0.00 C ATOM 209 CG TYR A 17 -8.823 8.716 6.716 1.00 0.00 C ATOM 210 CD1 TYR A 17 -10.031 8.636 6.033 1.00 0.00 C ATOM 211 CD2 TYR A 17 -8.687 7.989 7.892 1.00 0.00 C ATOM 212 CE1 TYR A 17 -11.069 7.857 6.506 1.00 0.00 C ATOM 213 CE2 TYR A 17 -9.720 7.207 8.372 1.00 0.00 C ATOM 214 CZ TYR A 17 -10.908 7.144 7.676 1.00 0.00 C ATOM 215 OH TYR A 17 -11.940 6.367 8.152 1.00 0.00 O ATOM 0 H TYR A 17 -6.244 11.612 5.193 1.00 0.00 H new ATOM 0 HA TYR A 17 -9.063 11.213 6.008 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -7.452 9.261 5.176 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -6.801 9.389 6.798 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -10.160 9.193 5.117 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -7.758 8.036 8.440 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -12.001 7.806 5.963 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -9.597 6.648 9.288 1.00 0.00 H new ATOM 0 HH TYR A 17 -11.663 5.930 8.985 1.00 0.00 H new ATOM 225 N ILE A 18 -8.441 12.667 7.968 1.00 0.00 N ATOM 226 CA ILE A 18 -8.233 13.321 9.254 1.00 0.00 C ATOM 227 C ILE A 18 -9.088 12.680 10.342 1.00 0.00 C ATOM 228 O ILE A 18 -10.317 12.745 10.302 1.00 0.00 O ATOM 229 CB ILE A 18 -8.560 14.825 9.180 1.00 0.00 C ATOM 230 CG1 ILE A 18 -7.762 15.487 8.055 1.00 0.00 C ATOM 231 CG2 ILE A 18 -8.264 15.497 10.513 1.00 0.00 C ATOM 232 CD1 ILE A 18 -6.363 14.934 7.898 1.00 0.00 C ATOM 0 H ILE A 18 -9.215 13.046 7.422 1.00 0.00 H new ATOM 0 HA ILE A 18 -7.179 13.198 9.504 1.00 0.00 H new ATOM 0 HB ILE A 18 -9.622 14.941 8.964 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -8.301 15.361 7.116 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -7.701 16.558 8.246 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -8.500 16.559 10.445 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -8.871 15.039 11.294 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -7.208 15.375 10.756 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -5.857 15.450 7.082 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -5.806 15.084 8.823 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -6.416 13.868 7.675 1.00 0.00 H new ATOM 244 N THR A 19 -8.429 12.060 11.316 1.00 0.00 N ATOM 245 CA THR A 19 -9.127 11.407 12.416 1.00 0.00 C ATOM 246 C THR A 19 -8.804 12.076 13.747 1.00 0.00 C ATOM 247 O THR A 19 -7.888 12.894 13.835 1.00 0.00 O ATOM 248 CB THR A 19 -8.763 9.913 12.504 1.00 0.00 C ATOM 249 OG1 THR A 19 -7.392 9.764 12.887 1.00 0.00 O ATOM 250 CG2 THR A 19 -9.001 9.218 11.171 1.00 0.00 C ATOM 0 H THR A 19 -7.412 11.997 11.365 1.00 0.00 H new ATOM 0 HA THR A 19 -10.194 11.502 12.214 1.00 0.00 H new ATOM 0 HB THR A 19 -9.402 9.450 13.256 1.00 0.00 H new ATOM 0 HG1 THR A 19 -7.125 8.826 12.788 1.00 0.00 H new ATOM 0 HG21 THR A 19 -8.737 8.164 11.258 1.00 0.00 H new ATOM 0 HG22 THR A 19 -10.052 9.307 10.897 1.00 0.00 H new ATOM 0 HG23 THR A 19 -8.385 9.684 10.402 1.00 0.00 H new ATOM 258 N ASP A 20 -9.561 11.723 14.780 1.00 0.00 N ATOM 259 CA ASP A 20 -9.354 12.289 16.108 1.00 0.00 C ATOM 260 C ASP A 20 -9.243 11.187 17.157 1.00 0.00 C ATOM 261 O ASP A 20 -9.576 11.391 18.323 1.00 0.00 O ATOM 262 CB ASP A 20 -10.499 13.237 16.466 1.00 0.00 C ATOM 263 CG ASP A 20 -10.188 14.088 17.682 1.00 0.00 C ATOM 264 OD1 ASP A 20 -9.152 14.784 17.669 1.00 0.00 O ATOM 265 OD2 ASP A 20 -10.981 14.057 18.647 1.00 0.00 O ATOM 0 H ASP A 20 -10.323 11.048 14.723 1.00 0.00 H new ATOM 0 HA ASP A 20 -8.419 12.849 16.095 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -10.708 13.886 15.616 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -11.402 12.656 16.654 1.00 0.00 H new ATOM 270 N ASN A 21 -8.773 10.018 16.732 1.00 0.00 N ATOM 271 CA ASN A 21 -8.619 8.883 17.635 1.00 0.00 C ATOM 272 C ASN A 21 -7.394 8.054 17.263 1.00 0.00 C ATOM 273 O ASN A 21 -7.292 7.545 16.146 1.00 0.00 O ATOM 274 CB ASN A 21 -9.872 8.005 17.601 1.00 0.00 C ATOM 275 CG ASN A 21 -10.987 8.555 18.470 1.00 0.00 C ATOM 276 OD1 ASN A 21 -10.814 8.743 19.675 1.00 0.00 O ATOM 277 ND2 ASN A 21 -12.138 8.815 17.862 1.00 0.00 N ATOM 0 H ASN A 21 -8.493 9.832 15.769 1.00 0.00 H new ATOM 0 HA ASN A 21 -8.481 9.270 18.645 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -10.225 7.919 16.573 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -9.617 6.999 17.935 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -12.924 9.186 18.396 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -12.236 8.644 16.861 1.00 0.00 H new ATOM 284 N CYS A 22 -6.467 7.922 18.205 1.00 0.00 N ATOM 285 CA CYS A 22 -5.248 7.155 17.977 1.00 0.00 C ATOM 286 C CYS A 22 -5.553 5.855 17.240 1.00 0.00 C ATOM 287 O CYS A 22 -4.805 5.442 16.354 1.00 0.00 O ATOM 288 CB CYS A 22 -4.555 6.851 19.306 1.00 0.00 C ATOM 289 SG CYS A 22 -5.609 6.012 20.512 1.00 0.00 S ATOM 0 H CYS A 22 -6.536 8.336 19.134 1.00 0.00 H new ATOM 0 HA CYS A 22 -4.582 7.755 17.357 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -3.678 6.233 19.113 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -4.198 7.785 19.739 1.00 0.00 H new ATOM 0 HG CYS A 22 -4.934 5.796 21.602 1.00 0.00 H new ATOM 295 N SER A 23 -6.657 5.215 17.613 1.00 0.00 N ATOM 296 CA SER A 23 -7.058 3.958 16.991 1.00 0.00 C ATOM 297 C SER A 23 -6.908 4.030 15.475 1.00 0.00 C ATOM 298 O SER A 23 -6.330 3.137 14.853 1.00 0.00 O ATOM 299 CB SER A 23 -8.506 3.624 17.356 1.00 0.00 C ATOM 300 OG SER A 23 -8.584 3.025 18.638 1.00 0.00 O ATOM 0 H SER A 23 -7.289 5.546 18.342 1.00 0.00 H new ATOM 0 HA SER A 23 -6.405 3.170 17.366 1.00 0.00 H new ATOM 0 HB2 SER A 23 -9.108 4.533 17.339 1.00 0.00 H new ATOM 0 HB3 SER A 23 -8.926 2.949 16.610 1.00 0.00 H new ATOM 0 HG SER A 23 -9.520 2.823 18.848 1.00 0.00 H new ATOM 306 N LEU A 24 -7.432 5.099 14.884 1.00 0.00 N ATOM 307 CA LEU A 24 -7.357 5.289 13.440 1.00 0.00 C ATOM 308 C LEU A 24 -6.052 5.975 13.049 1.00 0.00 C ATOM 309 O LEU A 24 -5.249 6.343 13.907 1.00 0.00 O ATOM 310 CB LEU A 24 -8.547 6.116 12.952 1.00 0.00 C ATOM 311 CG LEU A 24 -9.931 5.602 13.353 1.00 0.00 C ATOM 312 CD1 LEU A 24 -10.953 6.727 13.300 1.00 0.00 C ATOM 313 CD2 LEU A 24 -10.354 4.452 12.451 1.00 0.00 C ATOM 0 H LEU A 24 -7.913 5.847 15.383 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.387 4.307 12.967 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -8.436 7.133 13.328 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -8.503 6.172 11.864 1.00 0.00 H new ATOM 0 HG LEU A 24 -9.879 5.234 14.378 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -11.932 6.343 13.588 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -10.657 7.520 13.987 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -11.003 7.125 12.287 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -11.341 4.099 12.750 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -10.390 4.795 11.417 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -9.635 3.637 12.539 1.00 0.00 H new ATOM 325 N LEU A 25 -5.847 6.146 11.747 1.00 0.00 N ATOM 326 CA LEU A 25 -4.640 6.791 11.241 1.00 0.00 C ATOM 327 C LEU A 25 -4.975 8.111 10.554 1.00 0.00 C ATOM 328 O LEU A 25 -5.890 8.181 9.734 1.00 0.00 O ATOM 329 CB LEU A 25 -3.915 5.864 10.264 1.00 0.00 C ATOM 330 CG LEU A 25 -2.797 6.502 9.437 1.00 0.00 C ATOM 331 CD1 LEU A 25 -1.613 6.854 10.323 1.00 0.00 C ATOM 332 CD2 LEU A 25 -2.367 5.570 8.313 1.00 0.00 C ATOM 0 H LEU A 25 -6.501 5.847 11.023 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.986 6.999 12.088 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.493 5.033 10.829 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.651 5.443 9.579 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.178 7.422 8.993 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.828 7.307 9.718 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.930 7.559 11.092 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.231 5.949 10.796 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.571 6.040 7.735 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.004 4.633 8.736 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.218 5.368 7.662 1.00 0.00 H new ATOM 344 N SER A 26 -4.226 9.155 10.893 1.00 0.00 N ATOM 345 CA SER A 26 -4.444 10.474 10.311 1.00 0.00 C ATOM 346 C SER A 26 -3.376 10.791 9.269 1.00 0.00 C ATOM 347 O SER A 26 -2.251 11.159 9.608 1.00 0.00 O ATOM 348 CB SER A 26 -4.440 11.545 11.403 1.00 0.00 C ATOM 349 OG SER A 26 -3.171 11.631 12.029 1.00 0.00 O ATOM 0 H SER A 26 -3.462 9.113 11.568 1.00 0.00 H new ATOM 0 HA SER A 26 -5.417 10.470 9.820 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.702 12.511 10.970 1.00 0.00 H new ATOM 0 HB3 SER A 26 -5.201 11.312 12.148 1.00 0.00 H new ATOM 0 HG SER A 26 -2.467 11.584 11.349 1.00 0.00 H new ATOM 355 N PHE A 27 -3.736 10.645 7.998 1.00 0.00 N ATOM 356 CA PHE A 27 -2.809 10.915 6.905 1.00 0.00 C ATOM 357 C PHE A 27 -3.440 11.845 5.873 1.00 0.00 C ATOM 358 O PHE A 27 -4.656 12.045 5.862 1.00 0.00 O ATOM 359 CB PHE A 27 -2.383 9.606 6.235 1.00 0.00 C ATOM 360 CG PHE A 27 -3.515 8.876 5.572 1.00 0.00 C ATOM 361 CD1 PHE A 27 -4.125 9.395 4.441 1.00 0.00 C ATOM 362 CD2 PHE A 27 -3.970 7.669 6.079 1.00 0.00 C ATOM 363 CE1 PHE A 27 -5.168 8.725 3.830 1.00 0.00 C ATOM 364 CE2 PHE A 27 -5.012 6.994 5.471 1.00 0.00 C ATOM 365 CZ PHE A 27 -5.611 7.523 4.345 1.00 0.00 C ATOM 0 H PHE A 27 -4.663 10.341 7.700 1.00 0.00 H new ATOM 0 HA PHE A 27 -1.929 11.406 7.321 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -1.615 9.821 5.492 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -1.930 8.955 6.983 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -3.781 10.334 4.032 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -3.505 7.251 6.960 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -5.636 9.141 2.950 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -5.357 6.054 5.876 1.00 0.00 H new ATOM 0 HZ PHE A 27 -6.425 6.997 3.868 1.00 0.00 H new ATOM 375 N HIS A 28 -2.606 12.412 5.007 1.00 0.00 N ATOM 376 CA HIS A 28 -3.082 13.321 3.971 1.00 0.00 C ATOM 377 C HIS A 28 -3.063 12.645 2.603 1.00 0.00 C ATOM 378 O HIS A 28 -2.657 11.489 2.478 1.00 0.00 O ATOM 379 CB HIS A 28 -2.223 14.586 3.939 1.00 0.00 C ATOM 380 CG HIS A 28 -2.559 15.565 5.022 1.00 0.00 C ATOM 381 ND1 HIS A 28 -2.497 16.931 4.846 1.00 0.00 N ATOM 382 CD2 HIS A 28 -2.964 15.369 6.298 1.00 0.00 C ATOM 383 CE1 HIS A 28 -2.847 17.533 5.969 1.00 0.00 C ATOM 384 NE2 HIS A 28 -3.135 16.608 6.866 1.00 0.00 N ATOM 0 H HIS A 28 -1.598 12.258 5.002 1.00 0.00 H new ATOM 0 HA HIS A 28 -4.110 13.594 4.207 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -1.174 14.305 4.027 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -2.343 15.072 2.971 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -3.123 14.416 6.780 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -2.890 18.601 6.126 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -3.436 16.785 7.825 1.00 0.00 H new ATOM 393 N ARG A 29 -3.505 13.372 1.582 1.00 0.00 N ATOM 394 CA ARG A 29 -3.540 12.841 0.225 1.00 0.00 C ATOM 395 C ARG A 29 -2.129 12.687 -0.335 1.00 0.00 C ATOM 396 O ARG A 29 -1.248 13.499 -0.058 1.00 0.00 O ATOM 397 CB ARG A 29 -4.363 13.757 -0.682 1.00 0.00 C ATOM 398 CG ARG A 29 -4.469 13.260 -2.115 1.00 0.00 C ATOM 399 CD ARG A 29 -5.074 14.315 -3.027 1.00 0.00 C ATOM 400 NE ARG A 29 -4.616 14.173 -4.407 1.00 0.00 N ATOM 401 CZ ARG A 29 -3.419 14.568 -4.828 1.00 0.00 C ATOM 402 NH1 ARG A 29 -2.565 15.126 -3.982 1.00 0.00 N ATOM 403 NH2 ARG A 29 -3.075 14.405 -6.100 1.00 0.00 N ATOM 0 H ARG A 29 -3.844 14.330 1.669 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.008 11.857 0.258 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.366 13.860 -0.267 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -3.915 14.751 -0.683 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -3.479 12.986 -2.480 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -5.081 12.358 -2.144 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -6.161 14.241 -2.996 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -4.812 15.307 -2.658 1.00 0.00 H new ATOM 0 HE ARG A 29 -5.249 13.748 -5.084 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -2.826 15.253 -3.004 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -1.647 15.428 -4.309 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -3.730 13.976 -6.754 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -2.156 14.708 -6.423 1.00 0.00 H new ATOM 417 N GLY A 30 -1.923 11.637 -1.125 1.00 0.00 N ATOM 418 CA GLY A 30 -0.617 11.395 -1.711 1.00 0.00 C ATOM 419 C GLY A 30 0.326 10.691 -0.756 1.00 0.00 C ATOM 420 O GLY A 30 1.179 9.911 -1.178 1.00 0.00 O ATOM 0 H GLY A 30 -2.637 10.950 -1.369 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -0.733 10.793 -2.612 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -0.178 12.345 -2.016 1.00 0.00 H new ATOM 424 N ASP A 31 0.173 10.968 0.535 1.00 0.00 N ATOM 425 CA ASP A 31 1.018 10.356 1.553 1.00 0.00 C ATOM 426 C ASP A 31 0.982 8.834 1.447 1.00 0.00 C ATOM 427 O ASP A 31 0.071 8.187 1.965 1.00 0.00 O ATOM 428 CB ASP A 31 0.570 10.793 2.949 1.00 0.00 C ATOM 429 CG ASP A 31 1.657 10.609 3.990 1.00 0.00 C ATOM 430 OD1 ASP A 31 2.518 9.726 3.798 1.00 0.00 O ATOM 431 OD2 ASP A 31 1.646 11.348 4.997 1.00 0.00 O ATOM 0 H ASP A 31 -0.528 11.612 0.900 1.00 0.00 H new ATOM 0 HA ASP A 31 2.042 10.690 1.388 1.00 0.00 H new ATOM 0 HB2 ASP A 31 0.272 11.841 2.920 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -0.310 10.220 3.241 1.00 0.00 H new ATOM 436 N LEU A 32 1.977 8.269 0.773 1.00 0.00 N ATOM 437 CA LEU A 32 2.058 6.823 0.597 1.00 0.00 C ATOM 438 C LEU A 32 1.978 6.106 1.942 1.00 0.00 C ATOM 439 O LEU A 32 2.782 6.358 2.839 1.00 0.00 O ATOM 440 CB LEU A 32 3.358 6.449 -0.116 1.00 0.00 C ATOM 441 CG LEU A 32 3.742 4.969 -0.080 1.00 0.00 C ATOM 442 CD1 LEU A 32 4.761 4.654 -1.164 1.00 0.00 C ATOM 443 CD2 LEU A 32 4.285 4.592 1.291 1.00 0.00 C ATOM 0 H LEU A 32 2.739 8.790 0.339 1.00 0.00 H new ATOM 0 HA LEU A 32 1.212 6.507 -0.014 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.279 6.758 -1.158 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.170 7.025 0.327 1.00 0.00 H new ATOM 0 HG LEU A 32 2.847 4.377 -0.270 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.022 3.596 -1.122 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.336 4.885 -2.141 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.657 5.255 -1.007 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.553 3.535 1.298 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.168 5.192 1.510 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.523 4.778 2.048 1.00 0.00 H new ATOM 455 N ILE A 33 1.004 5.212 2.072 1.00 0.00 N ATOM 456 CA ILE A 33 0.821 4.456 3.305 1.00 0.00 C ATOM 457 C ILE A 33 1.404 3.052 3.181 1.00 0.00 C ATOM 458 O ILE A 33 1.014 2.281 2.304 1.00 0.00 O ATOM 459 CB ILE A 33 -0.667 4.350 3.685 1.00 0.00 C ATOM 460 CG1 ILE A 33 -1.314 5.737 3.694 1.00 0.00 C ATOM 461 CG2 ILE A 33 -0.821 3.679 5.041 1.00 0.00 C ATOM 462 CD1 ILE A 33 -2.792 5.717 3.373 1.00 0.00 C ATOM 0 H ILE A 33 0.329 4.993 1.339 1.00 0.00 H new ATOM 0 HA ILE A 33 1.350 4.998 4.089 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.174 3.738 2.939 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.170 6.190 4.675 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.802 6.372 2.971 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.879 3.611 5.296 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.392 2.678 5.002 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.302 4.266 5.799 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -3.183 6.734 3.398 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -2.943 5.294 2.380 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -3.316 5.109 4.110 1.00 0.00 H new ATOM 474 N LYS A 34 2.340 2.726 4.066 1.00 0.00 N ATOM 475 CA LYS A 34 2.975 1.414 4.060 1.00 0.00 C ATOM 476 C LYS A 34 2.152 0.406 4.856 1.00 0.00 C ATOM 477 O LYS A 34 1.610 0.730 5.914 1.00 0.00 O ATOM 478 CB LYS A 34 4.388 1.506 4.640 1.00 0.00 C ATOM 479 CG LYS A 34 5.351 0.483 4.063 1.00 0.00 C ATOM 480 CD LYS A 34 5.310 -0.822 4.839 1.00 0.00 C ATOM 481 CE LYS A 34 6.304 -0.818 5.990 1.00 0.00 C ATOM 482 NZ LYS A 34 7.657 -1.264 5.556 1.00 0.00 N ATOM 0 H LYS A 34 2.676 3.353 4.797 1.00 0.00 H new ATOM 0 HA LYS A 34 3.034 1.072 3.027 1.00 0.00 H new ATOM 0 HB2 LYS A 34 4.782 2.506 4.458 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.337 1.375 5.721 1.00 0.00 H new ATOM 0 HG2 LYS A 34 5.100 0.294 3.019 1.00 0.00 H new ATOM 0 HG3 LYS A 34 6.364 0.886 4.080 1.00 0.00 H new ATOM 0 HD2 LYS A 34 4.304 -0.985 5.226 1.00 0.00 H new ATOM 0 HD3 LYS A 34 5.532 -1.652 4.168 1.00 0.00 H new ATOM 0 HE2 LYS A 34 6.370 0.186 6.410 1.00 0.00 H new ATOM 0 HE3 LYS A 34 5.943 -1.472 6.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 8.305 -1.247 6.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 7.599 -2.232 5.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 8.013 -0.625 4.817 1.00 0.00 H new ATOM 496 N LEU A 35 2.063 -0.816 4.342 1.00 0.00 N ATOM 497 CA LEU A 35 1.306 -1.871 5.007 1.00 0.00 C ATOM 498 C LEU A 35 2.182 -2.623 6.004 1.00 0.00 C ATOM 499 O LEU A 35 3.029 -3.430 5.619 1.00 0.00 O ATOM 500 CB LEU A 35 0.738 -2.846 3.974 1.00 0.00 C ATOM 501 CG LEU A 35 -0.188 -2.241 2.918 1.00 0.00 C ATOM 502 CD1 LEU A 35 -0.542 -3.276 1.862 1.00 0.00 C ATOM 503 CD2 LEU A 35 -1.447 -1.687 3.569 1.00 0.00 C ATOM 0 H LEU A 35 2.505 -1.100 3.468 1.00 0.00 H new ATOM 0 HA LEU A 35 0.483 -1.407 5.551 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.571 -3.329 3.464 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.192 -3.627 4.503 1.00 0.00 H new ATOM 0 HG LEU A 35 0.336 -1.420 2.429 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.201 -2.827 1.119 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.369 -3.625 1.375 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.047 -4.119 2.334 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.095 -1.260 2.803 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.974 -2.490 4.084 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.175 -0.913 4.287 1.00 0.00 H new ATOM 515 N LEU A 36 1.971 -2.355 7.288 1.00 0.00 N ATOM 516 CA LEU A 36 2.739 -3.008 8.343 1.00 0.00 C ATOM 517 C LEU A 36 2.366 -4.483 8.454 1.00 0.00 C ATOM 518 O LEU A 36 1.263 -4.898 8.100 1.00 0.00 O ATOM 519 CB LEU A 36 2.502 -2.307 9.682 1.00 0.00 C ATOM 520 CG LEU A 36 3.151 -0.932 9.844 1.00 0.00 C ATOM 521 CD1 LEU A 36 2.557 -0.199 11.036 1.00 0.00 C ATOM 522 CD2 LEU A 36 4.659 -1.069 9.997 1.00 0.00 C ATOM 0 H LEU A 36 1.274 -1.690 7.624 1.00 0.00 H new ATOM 0 HA LEU A 36 3.796 -2.938 8.086 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.427 -2.199 9.827 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.868 -2.955 10.478 1.00 0.00 H new ATOM 0 HG LEU A 36 2.949 -0.348 8.946 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.031 0.777 11.136 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.485 -0.069 10.886 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.728 -0.780 11.942 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.104 -0.081 10.111 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.882 -1.671 10.878 1.00 0.00 H new ATOM 0 HD23 LEU A 36 5.072 -1.553 9.112 1.00 0.00 H new ATOM 534 N PRO A 37 3.307 -5.294 8.961 1.00 0.00 N ATOM 535 CA PRO A 37 3.099 -6.735 9.134 1.00 0.00 C ATOM 536 C PRO A 37 2.095 -7.047 10.238 1.00 0.00 C ATOM 537 O PRO A 37 2.358 -6.808 11.417 1.00 0.00 O ATOM 538 CB PRO A 37 4.489 -7.250 9.514 1.00 0.00 C ATOM 539 CG PRO A 37 5.175 -6.076 10.124 1.00 0.00 C ATOM 540 CD PRO A 37 4.644 -4.867 9.405 1.00 0.00 C ATOM 0 HA PRO A 37 2.688 -7.199 8.237 1.00 0.00 H new ATOM 0 HB2 PRO A 37 4.425 -8.080 10.217 1.00 0.00 H new ATOM 0 HB3 PRO A 37 5.029 -7.614 8.640 1.00 0.00 H new ATOM 0 HG2 PRO A 37 4.970 -6.016 11.193 1.00 0.00 H new ATOM 0 HG3 PRO A 37 6.256 -6.154 10.011 1.00 0.00 H new ATOM 0 HD2 PRO A 37 4.591 -3.999 10.063 1.00 0.00 H new ATOM 0 HD3 PRO A 37 5.278 -4.590 8.563 1.00 0.00 H new ATOM 548 N VAL A 38 0.943 -7.584 9.849 1.00 0.00 N ATOM 549 CA VAL A 38 -0.101 -7.931 10.807 1.00 0.00 C ATOM 550 C VAL A 38 -0.596 -9.356 10.587 1.00 0.00 C ATOM 551 O VAL A 38 -0.461 -9.910 9.497 1.00 0.00 O ATOM 552 CB VAL A 38 -1.295 -6.964 10.710 1.00 0.00 C ATOM 553 CG1 VAL A 38 -1.832 -6.918 9.288 1.00 0.00 C ATOM 554 CG2 VAL A 38 -2.388 -7.368 11.689 1.00 0.00 C ATOM 0 H VAL A 38 0.709 -7.788 8.878 1.00 0.00 H new ATOM 0 HA VAL A 38 0.341 -7.852 11.800 1.00 0.00 H new ATOM 0 HB VAL A 38 -0.952 -5.964 10.975 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.675 -6.229 9.240 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.046 -6.578 8.613 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.160 -7.914 8.990 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.224 -6.674 11.607 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.730 -8.377 11.457 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -1.994 -7.343 12.705 1.00 0.00 H new ATOM 564 N ALA A 39 -1.171 -9.945 11.631 1.00 0.00 N ATOM 565 CA ALA A 39 -1.689 -11.305 11.552 1.00 0.00 C ATOM 566 C ALA A 39 -3.170 -11.308 11.187 1.00 0.00 C ATOM 567 O ALA A 39 -3.561 -11.826 10.141 1.00 0.00 O ATOM 568 CB ALA A 39 -1.467 -12.032 12.870 1.00 0.00 C ATOM 0 H ALA A 39 -1.290 -9.501 12.542 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.146 -11.829 10.765 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -1.859 -13.046 12.796 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -0.400 -12.070 13.089 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.983 -11.501 13.670 1.00 0.00 H new ATOM 574 N THR A 40 -3.990 -10.725 12.056 1.00 0.00 N ATOM 575 CA THR A 40 -5.428 -10.663 11.826 1.00 0.00 C ATOM 576 C THR A 40 -5.879 -9.233 11.551 1.00 0.00 C ATOM 577 O THR A 40 -5.470 -8.298 12.242 1.00 0.00 O ATOM 578 CB THR A 40 -6.214 -11.214 13.030 1.00 0.00 C ATOM 579 OG1 THR A 40 -7.602 -11.332 12.697 1.00 0.00 O ATOM 580 CG2 THR A 40 -6.053 -10.309 14.242 1.00 0.00 C ATOM 0 H THR A 40 -3.683 -10.289 12.925 1.00 0.00 H new ATOM 0 HA THR A 40 -5.635 -11.281 10.953 1.00 0.00 H new ATOM 0 HB THR A 40 -5.815 -12.198 13.276 1.00 0.00 H new ATOM 0 HG1 THR A 40 -8.094 -11.685 13.467 1.00 0.00 H new ATOM 0 HG21 THR A 40 -6.617 -10.719 15.080 1.00 0.00 H new ATOM 0 HG22 THR A 40 -4.999 -10.245 14.511 1.00 0.00 H new ATOM 0 HG23 THR A 40 -6.428 -9.313 14.005 1.00 0.00 H new ATOM 588 N LEU A 41 -6.724 -9.068 10.539 1.00 0.00 N ATOM 589 CA LEU A 41 -7.231 -7.750 10.173 1.00 0.00 C ATOM 590 C LEU A 41 -8.745 -7.781 9.991 1.00 0.00 C ATOM 591 O LEU A 41 -9.346 -8.851 9.896 1.00 0.00 O ATOM 592 CB LEU A 41 -6.561 -7.263 8.888 1.00 0.00 C ATOM 593 CG LEU A 41 -5.237 -6.518 9.062 1.00 0.00 C ATOM 594 CD1 LEU A 41 -4.504 -6.415 7.734 1.00 0.00 C ATOM 595 CD2 LEU A 41 -5.477 -5.135 9.650 1.00 0.00 C ATOM 0 H LEU A 41 -7.072 -9.830 9.958 1.00 0.00 H new ATOM 0 HA LEU A 41 -6.995 -7.059 10.982 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.388 -8.125 8.243 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -7.257 -6.608 8.365 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.613 -7.082 9.755 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.564 -5.882 7.878 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.299 -7.415 7.353 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.123 -5.874 7.018 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.524 -4.619 9.767 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.120 -4.562 8.982 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.959 -5.232 10.623 1.00 0.00 H new ATOM 607 N GLU A 42 -9.355 -6.601 9.941 1.00 0.00 N ATOM 608 CA GLU A 42 -10.799 -6.494 9.768 1.00 0.00 C ATOM 609 C GLU A 42 -11.173 -6.521 8.289 1.00 0.00 C ATOM 610 O GLU A 42 -10.396 -6.128 7.419 1.00 0.00 O ATOM 611 CB GLU A 42 -11.319 -5.208 10.414 1.00 0.00 C ATOM 612 CG GLU A 42 -11.705 -5.373 11.874 1.00 0.00 C ATOM 613 CD GLU A 42 -10.533 -5.172 12.814 1.00 0.00 C ATOM 614 OE1 GLU A 42 -10.054 -4.025 12.929 1.00 0.00 O ATOM 615 OE2 GLU A 42 -10.095 -6.163 13.436 1.00 0.00 O ATOM 0 H GLU A 42 -8.872 -5.706 10.018 1.00 0.00 H new ATOM 0 HA GLU A 42 -11.262 -7.351 10.258 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -10.553 -4.436 10.334 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -12.186 -4.856 9.855 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -12.491 -4.659 12.121 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -12.121 -6.369 12.026 1.00 0.00 H new ATOM 622 N PRO A 43 -12.393 -6.997 7.996 1.00 0.00 N ATOM 623 CA PRO A 43 -12.899 -7.087 6.623 1.00 0.00 C ATOM 624 C PRO A 43 -13.181 -5.716 6.019 1.00 0.00 C ATOM 625 O PRO A 43 -14.213 -5.106 6.294 1.00 0.00 O ATOM 626 CB PRO A 43 -14.198 -7.883 6.776 1.00 0.00 C ATOM 627 CG PRO A 43 -14.633 -7.632 8.178 1.00 0.00 C ATOM 628 CD PRO A 43 -13.372 -7.484 8.983 1.00 0.00 C ATOM 0 HA PRO A 43 -12.176 -7.550 5.951 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -14.952 -7.551 6.062 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -14.035 -8.946 6.596 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -15.244 -6.732 8.242 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -15.240 -8.457 8.552 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -13.500 -6.779 9.804 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -13.062 -8.432 9.423 1.00 0.00 H new ATOM 636 N GLY A 44 -12.257 -5.237 5.192 1.00 0.00 N ATOM 637 CA GLY A 44 -12.426 -3.941 4.561 1.00 0.00 C ATOM 638 C GLY A 44 -11.575 -2.866 5.207 1.00 0.00 C ATOM 639 O GLY A 44 -11.711 -1.684 4.891 1.00 0.00 O ATOM 0 H GLY A 44 -11.394 -5.723 4.948 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -12.168 -4.018 3.505 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -13.475 -3.649 4.612 1.00 0.00 H new ATOM 643 N TRP A 45 -10.698 -3.275 6.116 1.00 0.00 N ATOM 644 CA TRP A 45 -9.823 -2.337 6.810 1.00 0.00 C ATOM 645 C TRP A 45 -8.358 -2.636 6.512 1.00 0.00 C ATOM 646 O TRP A 45 -8.029 -3.693 5.974 1.00 0.00 O ATOM 647 CB TRP A 45 -10.071 -2.397 8.318 1.00 0.00 C ATOM 648 CG TRP A 45 -11.286 -1.633 8.751 1.00 0.00 C ATOM 649 CD1 TRP A 45 -12.540 -2.135 8.956 1.00 0.00 C ATOM 650 CD2 TRP A 45 -11.362 -0.231 9.030 1.00 0.00 C ATOM 651 NE1 TRP A 45 -13.391 -1.129 9.345 1.00 0.00 N ATOM 652 CE2 TRP A 45 -12.693 0.049 9.399 1.00 0.00 C ATOM 653 CE3 TRP A 45 -10.436 0.815 9.006 1.00 0.00 C ATOM 654 CZ2 TRP A 45 -13.117 1.330 9.739 1.00 0.00 C ATOM 655 CZ3 TRP A 45 -10.859 2.087 9.343 1.00 0.00 C ATOM 656 CH2 TRP A 45 -12.189 2.336 9.706 1.00 0.00 C ATOM 0 H TRP A 45 -10.574 -4.250 6.390 1.00 0.00 H new ATOM 0 HA TRP A 45 -10.050 -1.333 6.450 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -10.179 -3.439 8.620 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -9.198 -2.003 8.839 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -12.821 -3.170 8.831 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -14.382 -1.241 9.559 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -9.408 0.633 8.729 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -14.142 1.524 10.019 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -10.152 2.903 9.326 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -12.488 3.341 9.965 1.00 0.00 H new ATOM 667 N GLN A 46 -7.483 -1.700 6.864 1.00 0.00 N ATOM 668 CA GLN A 46 -6.053 -1.865 6.633 1.00 0.00 C ATOM 669 C GLN A 46 -5.246 -1.334 7.813 1.00 0.00 C ATOM 670 O GLN A 46 -5.646 -0.372 8.469 1.00 0.00 O ATOM 671 CB GLN A 46 -5.636 -1.145 5.349 1.00 0.00 C ATOM 672 CG GLN A 46 -6.083 -1.855 4.081 1.00 0.00 C ATOM 673 CD GLN A 46 -5.204 -3.041 3.736 1.00 0.00 C ATOM 674 OE1 GLN A 46 -4.630 -3.681 4.619 1.00 0.00 O ATOM 675 NE2 GLN A 46 -5.093 -3.342 2.448 1.00 0.00 N ATOM 0 H GLN A 46 -7.739 -0.819 7.310 1.00 0.00 H new ATOM 0 HA GLN A 46 -5.848 -2.930 6.527 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -6.051 -0.137 5.356 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -4.551 -1.043 5.335 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -7.112 -2.193 4.202 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -6.075 -1.148 3.251 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -5.586 -2.785 1.750 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -4.515 -4.130 2.156 1.00 0.00 H new ATOM 684 N PHE A 47 -4.107 -1.966 8.077 1.00 0.00 N ATOM 685 CA PHE A 47 -3.244 -1.558 9.179 1.00 0.00 C ATOM 686 C PHE A 47 -1.852 -1.191 8.673 1.00 0.00 C ATOM 687 O PHE A 47 -1.110 -2.045 8.190 1.00 0.00 O ATOM 688 CB PHE A 47 -3.143 -2.677 10.217 1.00 0.00 C ATOM 689 CG PHE A 47 -2.233 -2.348 11.367 1.00 0.00 C ATOM 690 CD1 PHE A 47 -2.513 -1.282 12.206 1.00 0.00 C ATOM 691 CD2 PHE A 47 -1.099 -3.106 11.608 1.00 0.00 C ATOM 692 CE1 PHE A 47 -1.677 -0.977 13.263 1.00 0.00 C ATOM 693 CE2 PHE A 47 -0.259 -2.806 12.665 1.00 0.00 C ATOM 694 CZ PHE A 47 -0.550 -1.740 13.494 1.00 0.00 C ATOM 0 H PHE A 47 -3.760 -2.763 7.543 1.00 0.00 H new ATOM 0 HA PHE A 47 -3.685 -0.678 9.646 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -4.139 -2.895 10.603 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -2.785 -3.583 9.729 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -3.394 -0.683 12.032 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -0.868 -3.941 10.963 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -1.905 -0.142 13.908 1.00 0.00 H new ATOM 0 HE2 PHE A 47 0.623 -3.404 12.842 1.00 0.00 H new ATOM 0 HZ PHE A 47 0.103 -1.504 14.321 1.00 0.00 H new ATOM 704 N GLY A 48 -1.505 0.088 8.786 1.00 0.00 N ATOM 705 CA GLY A 48 -0.204 0.546 8.335 1.00 0.00 C ATOM 706 C GLY A 48 0.171 1.893 8.921 1.00 0.00 C ATOM 707 O GLY A 48 -0.557 2.443 9.747 1.00 0.00 O ATOM 0 H GLY A 48 -2.102 0.815 9.182 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.552 -0.190 8.610 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.203 0.613 7.247 1.00 0.00 H new ATOM 711 N SER A 49 1.311 2.425 8.494 1.00 0.00 N ATOM 712 CA SER A 49 1.785 3.714 8.985 1.00 0.00 C ATOM 713 C SER A 49 2.162 4.632 7.827 1.00 0.00 C ATOM 714 O SER A 49 2.726 4.189 6.827 1.00 0.00 O ATOM 715 CB SER A 49 2.989 3.520 9.910 1.00 0.00 C ATOM 716 OG SER A 49 3.494 4.766 10.358 1.00 0.00 O ATOM 0 H SER A 49 1.924 1.984 7.809 1.00 0.00 H new ATOM 0 HA SER A 49 0.976 4.181 9.546 1.00 0.00 H new ATOM 0 HB2 SER A 49 2.699 2.912 10.767 1.00 0.00 H new ATOM 0 HB3 SER A 49 3.772 2.975 9.383 1.00 0.00 H new ATOM 0 HG SER A 49 2.749 5.343 10.627 1.00 0.00 H new ATOM 722 N ALA A 50 1.844 5.915 7.970 1.00 0.00 N ATOM 723 CA ALA A 50 2.151 6.897 6.937 1.00 0.00 C ATOM 724 C ALA A 50 3.347 7.756 7.334 1.00 0.00 C ATOM 725 O ALA A 50 3.301 8.982 7.244 1.00 0.00 O ATOM 726 CB ALA A 50 0.937 7.774 6.666 1.00 0.00 C ATOM 0 H ALA A 50 1.374 6.298 8.790 1.00 0.00 H new ATOM 0 HA ALA A 50 2.409 6.359 6.025 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.180 8.503 5.893 1.00 0.00 H new ATOM 0 HB2 ALA A 50 0.107 7.152 6.331 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.654 8.296 7.580 1.00 0.00 H new ATOM 732 N GLY A 51 4.419 7.103 7.774 1.00 0.00 N ATOM 733 CA GLY A 51 5.612 7.822 8.178 1.00 0.00 C ATOM 734 C GLY A 51 5.334 8.842 9.265 1.00 0.00 C ATOM 735 O GLY A 51 5.208 10.034 8.990 1.00 0.00 O ATOM 0 H GLY A 51 4.482 6.088 7.858 1.00 0.00 H new ATOM 0 HA2 GLY A 51 6.358 7.111 8.533 1.00 0.00 H new ATOM 0 HA3 GLY A 51 6.039 8.326 7.311 1.00 0.00 H new ATOM 739 N GLY A 52 5.235 8.371 10.505 1.00 0.00 N ATOM 740 CA GLY A 52 4.969 9.263 11.618 1.00 0.00 C ATOM 741 C GLY A 52 4.139 8.605 12.702 1.00 0.00 C ATOM 742 O GLY A 52 4.482 8.672 13.883 1.00 0.00 O ATOM 0 H GLY A 52 5.334 7.388 10.758 1.00 0.00 H new ATOM 0 HA2 GLY A 52 5.914 9.601 12.043 1.00 0.00 H new ATOM 0 HA3 GLY A 52 4.449 10.149 11.254 1.00 0.00 H new ATOM 746 N ARG A 53 3.043 7.969 12.302 1.00 0.00 N ATOM 747 CA ARG A 53 2.160 7.299 13.250 1.00 0.00 C ATOM 748 C ARG A 53 1.445 6.124 12.589 1.00 0.00 C ATOM 749 O ARG A 53 1.256 6.104 11.373 1.00 0.00 O ATOM 750 CB ARG A 53 1.133 8.285 13.808 1.00 0.00 C ATOM 751 CG ARG A 53 0.135 8.777 12.772 1.00 0.00 C ATOM 752 CD ARG A 53 -0.778 9.850 13.345 1.00 0.00 C ATOM 753 NE ARG A 53 -0.029 11.009 13.823 1.00 0.00 N ATOM 754 CZ ARG A 53 0.512 11.085 15.034 1.00 0.00 C ATOM 755 NH1 ARG A 53 0.387 10.076 15.884 1.00 0.00 N ATOM 756 NH2 ARG A 53 1.179 12.173 15.396 1.00 0.00 N ATOM 0 H ARG A 53 2.745 7.903 11.329 1.00 0.00 H new ATOM 0 HA ARG A 53 2.770 6.918 14.069 1.00 0.00 H new ATOM 0 HB2 ARG A 53 0.591 7.808 14.625 1.00 0.00 H new ATOM 0 HB3 ARG A 53 1.657 9.142 14.231 1.00 0.00 H new ATOM 0 HG2 ARG A 53 0.670 9.175 11.910 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -0.465 7.939 12.416 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -1.488 10.167 12.581 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -1.359 9.430 14.166 1.00 0.00 H new ATOM 0 HE ARG A 53 0.085 11.803 13.193 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -0.126 9.238 15.609 1.00 0.00 H new ATOM 0 HH12 ARG A 53 0.803 10.137 16.813 1.00 0.00 H new ATOM 0 HH21 ARG A 53 1.277 12.952 14.744 1.00 0.00 H new ATOM 0 HH22 ARG A 53 1.594 12.231 16.326 1.00 0.00 H new ATOM 770 N SER A 54 1.052 5.146 13.398 1.00 0.00 N ATOM 771 CA SER A 54 0.362 3.965 12.892 1.00 0.00 C ATOM 772 C SER A 54 -1.112 3.986 13.286 1.00 0.00 C ATOM 773 O SER A 54 -1.486 4.566 14.304 1.00 0.00 O ATOM 774 CB SER A 54 1.025 2.693 13.424 1.00 0.00 C ATOM 775 OG SER A 54 0.642 1.561 12.663 1.00 0.00 O ATOM 0 H SER A 54 1.200 5.148 14.407 1.00 0.00 H new ATOM 0 HA SER A 54 0.430 3.974 11.804 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.109 2.805 13.395 1.00 0.00 H new ATOM 0 HB3 SER A 54 0.748 2.544 14.468 1.00 0.00 H new ATOM 0 HG SER A 54 -0.035 1.050 13.154 1.00 0.00 H new ATOM 781 N GLY A 55 -1.946 3.349 12.469 1.00 0.00 N ATOM 782 CA GLY A 55 -3.369 3.306 12.748 1.00 0.00 C ATOM 783 C GLY A 55 -4.122 2.407 11.786 1.00 0.00 C ATOM 784 O GLY A 55 -3.518 1.755 10.933 1.00 0.00 O ATOM 0 H GLY A 55 -1.661 2.862 11.619 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -3.526 2.954 13.768 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.778 4.315 12.693 1.00 0.00 H new ATOM 788 N LEU A 56 -5.442 2.370 11.925 1.00 0.00 N ATOM 789 CA LEU A 56 -6.279 1.543 11.062 1.00 0.00 C ATOM 790 C LEU A 56 -7.076 2.404 10.088 1.00 0.00 C ATOM 791 O LEU A 56 -8.020 3.091 10.479 1.00 0.00 O ATOM 792 CB LEU A 56 -7.230 0.692 11.905 1.00 0.00 C ATOM 793 CG LEU A 56 -6.639 -0.586 12.501 1.00 0.00 C ATOM 794 CD1 LEU A 56 -7.672 -1.304 13.355 1.00 0.00 C ATOM 795 CD2 LEU A 56 -6.127 -1.501 11.398 1.00 0.00 C ATOM 0 H LEU A 56 -5.956 2.903 12.627 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.627 0.886 10.486 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -7.610 1.307 12.721 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -8.085 0.419 11.287 1.00 0.00 H new ATOM 0 HG LEU A 56 -5.798 -0.312 13.138 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -7.233 -2.211 13.771 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -7.991 -0.650 14.167 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.533 -1.566 12.741 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -5.710 -2.406 11.840 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.950 -1.767 10.735 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.354 -0.986 10.828 1.00 0.00 H new ATOM 807 N PHE A 57 -6.690 2.362 8.817 1.00 0.00 N ATOM 808 CA PHE A 57 -7.370 3.138 7.786 1.00 0.00 C ATOM 809 C PHE A 57 -8.143 2.225 6.838 1.00 0.00 C ATOM 810 O PHE A 57 -7.771 1.075 6.603 1.00 0.00 O ATOM 811 CB PHE A 57 -6.359 3.972 6.996 1.00 0.00 C ATOM 812 CG PHE A 57 -5.373 3.145 6.223 1.00 0.00 C ATOM 813 CD1 PHE A 57 -4.357 2.465 6.875 1.00 0.00 C ATOM 814 CD2 PHE A 57 -5.462 3.046 4.844 1.00 0.00 C ATOM 815 CE1 PHE A 57 -3.447 1.704 6.166 1.00 0.00 C ATOM 816 CE2 PHE A 57 -4.555 2.286 4.129 1.00 0.00 C ATOM 817 CZ PHE A 57 -3.547 1.613 4.791 1.00 0.00 C ATOM 0 H PHE A 57 -5.910 1.799 8.476 1.00 0.00 H new ATOM 0 HA PHE A 57 -8.078 3.806 8.277 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -6.897 4.621 6.305 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -5.817 4.619 7.685 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -4.275 2.530 7.950 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -6.249 3.569 4.321 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -2.658 1.181 6.686 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -4.635 2.219 3.054 1.00 0.00 H new ATOM 0 HZ PHE A 57 -2.838 1.017 4.235 1.00 0.00 H new ATOM 827 N PRO A 58 -9.245 2.747 6.281 1.00 0.00 N ATOM 828 CA PRO A 58 -10.094 1.997 5.351 1.00 0.00 C ATOM 829 C PRO A 58 -9.411 1.756 4.009 1.00 0.00 C ATOM 830 O PRO A 58 -8.615 2.575 3.551 1.00 0.00 O ATOM 831 CB PRO A 58 -11.315 2.904 5.175 1.00 0.00 C ATOM 832 CG PRO A 58 -10.813 4.276 5.468 1.00 0.00 C ATOM 833 CD PRO A 58 -9.748 4.112 6.516 1.00 0.00 C ATOM 0 HA PRO A 58 -10.335 1.004 5.729 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -11.716 2.837 4.164 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -12.119 2.623 5.856 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -10.408 4.743 4.570 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -11.618 4.918 5.827 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -8.959 4.856 6.406 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -10.153 4.223 7.522 1.00 0.00 H new ATOM 841 N ALA A 59 -9.729 0.628 3.383 1.00 0.00 N ATOM 842 CA ALA A 59 -9.148 0.281 2.092 1.00 0.00 C ATOM 843 C ALA A 59 -10.064 0.700 0.947 1.00 0.00 C ATOM 844 O ALA A 59 -10.063 0.085 -0.119 1.00 0.00 O ATOM 845 CB ALA A 59 -8.866 -1.213 2.024 1.00 0.00 C ATOM 0 H ALA A 59 -10.386 -0.061 3.749 1.00 0.00 H new ATOM 0 HA ALA A 59 -8.208 0.823 1.988 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -8.432 -1.458 1.054 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -8.167 -1.488 2.814 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -9.797 -1.765 2.155 1.00 0.00 H new ATOM 851 N ASP A 60 -10.845 1.751 1.175 1.00 0.00 N ATOM 852 CA ASP A 60 -11.766 2.253 0.162 1.00 0.00 C ATOM 853 C ASP A 60 -11.352 3.644 -0.307 1.00 0.00 C ATOM 854 O ASP A 60 -11.823 4.128 -1.337 1.00 0.00 O ATOM 855 CB ASP A 60 -13.193 2.290 0.713 1.00 0.00 C ATOM 856 CG ASP A 60 -13.894 0.951 0.594 1.00 0.00 C ATOM 857 OD1 ASP A 60 -13.199 -0.086 0.606 1.00 0.00 O ATOM 858 OD2 ASP A 60 -15.138 0.941 0.490 1.00 0.00 O ATOM 0 H ASP A 60 -10.858 2.271 2.052 1.00 0.00 H new ATOM 0 HA ASP A 60 -11.732 1.577 -0.692 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -13.167 2.592 1.760 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -13.767 3.046 0.177 1.00 0.00 H new ATOM 863 N ILE A 61 -10.471 4.282 0.455 1.00 0.00 N ATOM 864 CA ILE A 61 -9.995 5.618 0.117 1.00 0.00 C ATOM 865 C ILE A 61 -8.520 5.593 -0.270 1.00 0.00 C ATOM 866 O ILE A 61 -7.850 6.626 -0.270 1.00 0.00 O ATOM 867 CB ILE A 61 -10.190 6.598 1.289 1.00 0.00 C ATOM 868 CG1 ILE A 61 -9.154 6.334 2.382 1.00 0.00 C ATOM 869 CG2 ILE A 61 -11.600 6.481 1.848 1.00 0.00 C ATOM 870 CD1 ILE A 61 -9.291 7.249 3.579 1.00 0.00 C ATOM 0 H ILE A 61 -10.072 3.896 1.311 1.00 0.00 H new ATOM 0 HA ILE A 61 -10.586 5.959 -0.733 1.00 0.00 H new ATOM 0 HB ILE A 61 -10.049 7.614 0.920 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -9.243 5.300 2.714 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -8.156 6.448 1.960 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -11.722 7.180 2.676 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -12.322 6.715 1.066 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -11.767 5.464 2.204 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -8.524 7.004 4.314 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -9.172 8.285 3.261 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -10.276 7.118 4.026 1.00 0.00 H new ATOM 882 N VAL A 62 -8.020 4.407 -0.601 1.00 0.00 N ATOM 883 CA VAL A 62 -6.625 4.248 -0.993 1.00 0.00 C ATOM 884 C VAL A 62 -6.497 3.346 -2.216 1.00 0.00 C ATOM 885 O VAL A 62 -7.328 2.466 -2.439 1.00 0.00 O ATOM 886 CB VAL A 62 -5.783 3.660 0.155 1.00 0.00 C ATOM 887 CG1 VAL A 62 -5.830 4.570 1.372 1.00 0.00 C ATOM 888 CG2 VAL A 62 -6.264 2.260 0.506 1.00 0.00 C ATOM 0 H VAL A 62 -8.560 3.542 -0.605 1.00 0.00 H new ATOM 0 HA VAL A 62 -6.250 5.242 -1.237 1.00 0.00 H new ATOM 0 HB VAL A 62 -4.747 3.590 -0.176 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.229 4.138 2.173 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -5.433 5.550 1.109 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -6.862 4.675 1.708 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -5.658 1.860 1.319 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -7.308 2.301 0.818 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -6.172 1.614 -0.367 1.00 0.00 H new ATOM 898 N GLN A 63 -5.451 3.571 -3.004 1.00 0.00 N ATOM 899 CA GLN A 63 -5.215 2.779 -4.205 1.00 0.00 C ATOM 900 C GLN A 63 -3.804 2.201 -4.207 1.00 0.00 C ATOM 901 O GLN A 63 -2.866 2.787 -3.666 1.00 0.00 O ATOM 902 CB GLN A 63 -5.431 3.633 -5.456 1.00 0.00 C ATOM 903 CG GLN A 63 -4.191 4.394 -5.894 1.00 0.00 C ATOM 904 CD GLN A 63 -3.350 3.618 -6.888 1.00 0.00 C ATOM 905 OE1 GLN A 63 -3.822 2.662 -7.505 1.00 0.00 O ATOM 906 NE2 GLN A 63 -2.097 4.025 -7.050 1.00 0.00 N ATOM 0 H GLN A 63 -4.753 4.295 -2.832 1.00 0.00 H new ATOM 0 HA GLN A 63 -5.926 1.953 -4.211 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -5.760 2.990 -6.272 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -6.235 4.344 -5.266 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -4.490 5.343 -6.340 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -3.586 4.630 -5.018 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -1.747 4.822 -6.518 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -1.484 3.541 -7.706 1.00 0.00 H new ATOM 915 N PRO A 64 -3.647 1.023 -4.829 1.00 0.00 N ATOM 916 CA PRO A 64 -2.354 0.339 -4.917 1.00 0.00 C ATOM 917 C PRO A 64 -1.376 1.065 -5.834 1.00 0.00 C ATOM 918 O PRO A 64 -1.766 1.607 -6.868 1.00 0.00 O ATOM 919 CB PRO A 64 -2.714 -1.031 -5.496 1.00 0.00 C ATOM 920 CG PRO A 64 -3.980 -0.803 -6.248 1.00 0.00 C ATOM 921 CD PRO A 64 -4.722 0.267 -5.495 1.00 0.00 C ATOM 0 HA PRO A 64 -1.853 0.289 -3.950 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -1.926 -1.404 -6.151 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -2.850 -1.771 -4.707 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -3.775 -0.489 -7.271 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -4.569 -1.718 -6.307 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -5.303 0.900 -6.165 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -5.420 -0.159 -4.774 1.00 0.00 H new ATOM 929 N ALA A 65 -0.103 1.070 -5.450 1.00 0.00 N ATOM 930 CA ALA A 65 0.930 1.727 -6.240 1.00 0.00 C ATOM 931 C ALA A 65 2.217 0.909 -6.250 1.00 0.00 C ATOM 932 O ALA A 65 2.308 -0.130 -5.596 1.00 0.00 O ATOM 933 CB ALA A 65 1.196 3.126 -5.704 1.00 0.00 C ATOM 0 H ALA A 65 0.237 0.626 -4.597 1.00 0.00 H new ATOM 0 HA ALA A 65 0.572 1.805 -7.266 1.00 0.00 H new ATOM 0 HB1 ALA A 65 1.970 3.604 -6.304 1.00 0.00 H new ATOM 0 HB2 ALA A 65 0.281 3.715 -5.755 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.528 3.062 -4.668 1.00 0.00 H new ATOM 939 N ALA A 66 3.209 1.384 -6.996 1.00 0.00 N ATOM 940 CA ALA A 66 4.491 0.696 -7.089 1.00 0.00 C ATOM 941 C ALA A 66 5.327 0.920 -5.833 1.00 0.00 C ATOM 942 O ALA A 66 5.247 1.974 -5.203 1.00 0.00 O ATOM 943 CB ALA A 66 5.252 1.163 -8.322 1.00 0.00 C ATOM 0 H ALA A 66 3.150 2.242 -7.544 1.00 0.00 H new ATOM 0 HA ALA A 66 4.296 -0.373 -7.178 1.00 0.00 H new ATOM 0 HB1 ALA A 66 6.207 0.641 -8.379 1.00 0.00 H new ATOM 0 HB2 ALA A 66 4.666 0.946 -9.215 1.00 0.00 H new ATOM 0 HB3 ALA A 66 5.428 2.237 -8.256 1.00 0.00 H new ATOM 949 N ALA A 67 6.128 -0.078 -5.475 1.00 0.00 N ATOM 950 CA ALA A 67 6.979 0.011 -4.295 1.00 0.00 C ATOM 951 C ALA A 67 8.298 0.703 -4.622 1.00 0.00 C ATOM 952 O ALA A 67 8.858 0.546 -5.707 1.00 0.00 O ATOM 953 CB ALA A 67 7.235 -1.375 -3.723 1.00 0.00 C ATOM 0 H ALA A 67 6.205 -0.958 -5.985 1.00 0.00 H new ATOM 0 HA ALA A 67 6.460 0.610 -3.547 1.00 0.00 H new ATOM 0 HB1 ALA A 67 7.872 -1.293 -2.842 1.00 0.00 H new ATOM 0 HB2 ALA A 67 6.287 -1.834 -3.444 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.730 -1.992 -4.473 1.00 0.00 H new