USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 583 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 67 MET CE :methyl -114:sc= -0.51 (180deg=-4.64!) USER MOD Set 1.2: A 70 SER OG : rot -90:sc= 0.325 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -132:sc= 0 (180deg=-0.173) USER MOD Single : A 23 HIS : no HD1:sc= -5.93! C(o=-5.9!,f=-11!) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.0291 USER MOD Single : A 36 GLN :FLIP amide:sc= 0.494 F(o=-2.4,f=0.49) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.00922) USER MOD Single : A 46 HIS : no HD1:sc= -4.65! C(o=-4.7!,f=-12!) USER MOD Single : A 66 ASN : amide:sc= 1.21 K(o=1.2,f=-0.08) USER MOD Single : A 68 ASN : amide:sc= -0.239 K(o=-0.24,f=-0.91) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= 0.346 K(o=0.35,f=-6.1!) USER MOD ----------------------------------------------------------------- ATOM 143 N ARG A 6 -18.606 0.669 4.224 1.00 0.00 N ATOM 144 CA ARG A 6 -18.053 0.540 2.881 1.00 0.00 C ATOM 145 C ARG A 6 -16.530 0.626 2.909 1.00 0.00 C ATOM 146 O ARG A 6 -15.842 -0.139 2.234 1.00 0.00 O ATOM 147 CB ARG A 6 -18.620 1.627 1.966 1.00 0.00 C ATOM 148 CG ARG A 6 -20.137 1.716 1.994 1.00 0.00 C ATOM 149 CD ARG A 6 -20.619 2.676 3.070 1.00 0.00 C ATOM 150 NE ARG A 6 -21.944 3.213 2.771 1.00 0.00 N ATOM 151 CZ ARG A 6 -22.405 4.353 3.273 1.00 0.00 C ATOM 152 NH1 ARG A 6 -21.653 5.073 4.093 1.00 0.00 N ATOM 153 NH2 ARG A 6 -23.622 4.776 2.954 1.00 0.00 N ATOM 0 HA ARG A 6 -18.337 -0.437 2.491 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -18.202 2.590 2.258 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -18.294 1.436 0.943 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -20.501 2.046 1.021 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -20.557 0.726 2.173 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -20.645 2.161 4.030 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -19.909 3.497 3.168 1.00 0.00 H new ATOM 0 HE ARG A 6 -22.548 2.684 2.142 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -20.717 4.752 4.340 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -22.010 5.948 4.477 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -24.204 4.225 2.323 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -23.975 5.652 3.340 1.00 0.00 H new ATOM 167 N VAL A 7 -16.010 1.565 3.694 1.00 0.00 N ATOM 168 CA VAL A 7 -14.569 1.752 3.811 1.00 0.00 C ATOM 169 C VAL A 7 -13.944 0.672 4.687 1.00 0.00 C ATOM 170 O VAL A 7 -14.165 0.636 5.898 1.00 0.00 O ATOM 171 CB VAL A 7 -14.228 3.135 4.397 1.00 0.00 C ATOM 172 CG1 VAL A 7 -12.721 3.327 4.471 1.00 0.00 C ATOM 173 CG2 VAL A 7 -14.874 4.237 3.571 1.00 0.00 C ATOM 0 H VAL A 7 -16.566 2.208 4.258 1.00 0.00 H new ATOM 0 HA VAL A 7 -14.158 1.681 2.804 1.00 0.00 H new ATOM 0 HB VAL A 7 -14.627 3.190 5.410 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -12.499 4.310 4.887 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -12.287 2.557 5.108 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -12.295 3.253 3.470 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -14.623 5.207 3.999 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -14.507 4.186 2.546 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -15.956 4.108 3.575 1.00 0.00 H new ATOM 183 N LEU A 8 -13.162 -0.205 4.068 1.00 0.00 N ATOM 184 CA LEU A 8 -12.503 -1.287 4.792 1.00 0.00 C ATOM 185 C LEU A 8 -11.076 -0.901 5.167 1.00 0.00 C ATOM 186 O LEU A 8 -10.431 -0.118 4.470 1.00 0.00 O ATOM 187 CB LEU A 8 -12.493 -2.561 3.945 1.00 0.00 C ATOM 188 CG LEU A 8 -13.796 -2.895 3.218 1.00 0.00 C ATOM 189 CD1 LEU A 8 -13.614 -4.115 2.329 1.00 0.00 C ATOM 190 CD2 LEU A 8 -14.921 -3.124 4.218 1.00 0.00 C ATOM 0 H LEU A 8 -12.968 -0.189 3.067 1.00 0.00 H new ATOM 0 HA LEU A 8 -13.063 -1.472 5.709 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -11.699 -2.474 3.203 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -12.235 -3.400 4.591 1.00 0.00 H new ATOM 0 HG LEU A 8 -14.065 -2.048 2.587 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -14.552 -4.337 1.820 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -12.839 -3.914 1.590 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -13.321 -4.969 2.939 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -15.841 -3.361 3.683 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -14.660 -3.953 4.876 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -15.069 -2.222 4.812 1.00 0.00 H new ATOM 202 N TYR A 9 -10.590 -1.457 6.271 1.00 0.00 N ATOM 203 CA TYR A 9 -9.239 -1.170 6.740 1.00 0.00 C ATOM 204 C TYR A 9 -8.319 -2.366 6.512 1.00 0.00 C ATOM 205 O TYR A 9 -8.558 -3.456 7.030 1.00 0.00 O ATOM 206 CB TYR A 9 -9.259 -0.803 8.224 1.00 0.00 C ATOM 207 CG TYR A 9 -7.980 -1.153 8.951 1.00 0.00 C ATOM 208 CD1 TYR A 9 -7.750 -2.443 9.414 1.00 0.00 C ATOM 209 CD2 TYR A 9 -7.001 -0.193 9.175 1.00 0.00 C ATOM 210 CE1 TYR A 9 -6.584 -2.766 10.079 1.00 0.00 C ATOM 211 CE2 TYR A 9 -5.830 -0.507 9.838 1.00 0.00 C ATOM 212 CZ TYR A 9 -5.627 -1.795 10.289 1.00 0.00 C ATOM 213 OH TYR A 9 -4.463 -2.113 10.950 1.00 0.00 O ATOM 0 H TYR A 9 -11.111 -2.109 6.858 1.00 0.00 H new ATOM 0 HA TYR A 9 -8.855 -0.324 6.169 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -9.442 0.267 8.323 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -10.092 -1.315 8.705 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -8.496 -3.206 9.251 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -7.158 0.816 8.825 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -6.422 -3.773 10.433 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -5.078 0.251 10.002 1.00 0.00 H new ATOM 0 HH TYR A 9 -3.895 -1.317 11.014 1.00 0.00 H new ATOM 223 N VAL A 10 -7.264 -2.151 5.732 1.00 0.00 N ATOM 224 CA VAL A 10 -6.305 -3.209 5.436 1.00 0.00 C ATOM 225 C VAL A 10 -4.984 -2.972 6.159 1.00 0.00 C ATOM 226 O VAL A 10 -4.403 -1.891 6.073 1.00 0.00 O ATOM 227 CB VAL A 10 -6.037 -3.316 3.922 1.00 0.00 C ATOM 228 CG1 VAL A 10 -5.057 -4.442 3.632 1.00 0.00 C ATOM 229 CG2 VAL A 10 -7.340 -3.523 3.165 1.00 0.00 C ATOM 0 H VAL A 10 -7.052 -1.255 5.294 1.00 0.00 H new ATOM 0 HA VAL A 10 -6.745 -4.142 5.787 1.00 0.00 H new ATOM 0 HB VAL A 10 -5.590 -2.382 3.582 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -4.880 -4.503 2.558 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -4.115 -4.246 4.145 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -5.472 -5.386 3.985 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -7.133 -3.596 2.097 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -7.817 -4.442 3.506 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -8.005 -2.679 3.348 1.00 0.00 H new ATOM 239 N GLY A 11 -4.514 -3.991 6.872 1.00 0.00 N ATOM 240 CA GLY A 11 -3.264 -3.874 7.600 1.00 0.00 C ATOM 241 C GLY A 11 -2.271 -4.957 7.226 1.00 0.00 C ATOM 242 O GLY A 11 -2.619 -5.917 6.541 1.00 0.00 O ATOM 0 H GLY A 11 -4.977 -4.896 6.958 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -2.823 -2.897 7.403 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -3.465 -3.923 8.670 1.00 0.00 H new ATOM 246 N GLY A 12 -1.030 -4.800 7.676 1.00 0.00 N ATOM 247 CA GLY A 12 -0.003 -5.779 7.373 1.00 0.00 C ATOM 248 C GLY A 12 0.406 -5.759 5.913 1.00 0.00 C ATOM 249 O GLY A 12 0.848 -6.772 5.370 1.00 0.00 O ATOM 0 H GLY A 12 -0.718 -4.013 8.245 1.00 0.00 H new ATOM 0 HA2 GLY A 12 0.872 -5.587 7.995 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.366 -6.774 7.632 1.00 0.00 H new ATOM 253 N LEU A 13 0.255 -4.603 5.275 1.00 0.00 N ATOM 254 CA LEU A 13 0.610 -4.455 3.868 1.00 0.00 C ATOM 255 C LEU A 13 2.125 -4.422 3.689 1.00 0.00 C ATOM 256 O LEU A 13 2.868 -4.207 4.645 1.00 0.00 O ATOM 257 CB LEU A 13 -0.010 -3.178 3.297 1.00 0.00 C ATOM 258 CG LEU A 13 -1.525 -3.202 3.090 1.00 0.00 C ATOM 259 CD1 LEU A 13 -2.021 -1.845 2.618 1.00 0.00 C ATOM 260 CD2 LEU A 13 -1.910 -4.289 2.097 1.00 0.00 C ATOM 0 H LEU A 13 -0.110 -3.756 5.709 1.00 0.00 H new ATOM 0 HA LEU A 13 0.217 -5.316 3.327 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.232 -2.351 3.964 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.464 -2.965 2.339 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.000 -3.426 4.045 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.101 -1.882 2.476 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.778 -1.089 3.365 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.540 -1.590 1.674 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.992 -4.292 1.962 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.425 -4.096 1.140 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.589 -5.259 2.477 1.00 0.00 H new ATOM 272 N ALA A 14 2.574 -4.635 2.456 1.00 0.00 N ATOM 273 CA ALA A 14 3.999 -4.625 2.151 1.00 0.00 C ATOM 274 C ALA A 14 4.462 -3.233 1.733 1.00 0.00 C ATOM 275 O ALA A 14 3.656 -2.311 1.618 1.00 0.00 O ATOM 276 CB ALA A 14 4.312 -5.637 1.058 1.00 0.00 C ATOM 0 H ALA A 14 1.972 -4.816 1.653 1.00 0.00 H new ATOM 0 HA ALA A 14 4.540 -4.903 3.055 1.00 0.00 H new ATOM 0 HB1 ALA A 14 5.380 -5.619 0.840 1.00 0.00 H new ATOM 0 HB2 ALA A 14 4.027 -6.634 1.393 1.00 0.00 H new ATOM 0 HB3 ALA A 14 3.754 -5.384 0.157 1.00 0.00 H new ATOM 282 N GLU A 15 5.765 -3.090 1.509 1.00 0.00 N ATOM 283 CA GLU A 15 6.333 -1.810 1.106 1.00 0.00 C ATOM 284 C GLU A 15 6.111 -1.560 -0.383 1.00 0.00 C ATOM 285 O GLU A 15 6.317 -0.451 -0.874 1.00 0.00 O ATOM 286 CB GLU A 15 7.830 -1.768 1.424 1.00 0.00 C ATOM 287 CG GLU A 15 8.673 -2.622 0.492 1.00 0.00 C ATOM 288 CD GLU A 15 10.082 -2.086 0.325 1.00 0.00 C ATOM 289 OE1 GLU A 15 10.274 -0.863 0.485 1.00 0.00 O ATOM 290 OE2 GLU A 15 10.991 -2.890 0.033 1.00 0.00 O ATOM 0 H GLU A 15 6.446 -3.844 1.600 1.00 0.00 H new ATOM 0 HA GLU A 15 5.827 -1.025 1.668 1.00 0.00 H new ATOM 0 HB2 GLU A 15 8.176 -0.736 1.370 1.00 0.00 H new ATOM 0 HB3 GLU A 15 7.985 -2.103 2.450 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.719 -3.640 0.880 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.190 -2.674 -0.484 1.00 0.00 H new ATOM 297 N GLU A 16 5.690 -2.601 -1.095 1.00 0.00 N ATOM 298 CA GLU A 16 5.442 -2.495 -2.528 1.00 0.00 C ATOM 299 C GLU A 16 3.952 -2.324 -2.810 1.00 0.00 C ATOM 300 O GLU A 16 3.562 -1.827 -3.867 1.00 0.00 O ATOM 301 CB GLU A 16 5.971 -3.734 -3.253 1.00 0.00 C ATOM 302 CG GLU A 16 5.671 -3.742 -4.742 1.00 0.00 C ATOM 303 CD GLU A 16 6.385 -4.861 -5.475 1.00 0.00 C ATOM 304 OE1 GLU A 16 7.627 -4.943 -5.370 1.00 0.00 O ATOM 305 OE2 GLU A 16 5.701 -5.656 -6.154 1.00 0.00 O ATOM 0 H GLU A 16 5.514 -3.526 -0.703 1.00 0.00 H new ATOM 0 HA GLU A 16 5.968 -1.615 -2.898 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.049 -3.797 -3.108 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.536 -4.624 -2.798 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.596 -3.843 -4.892 1.00 0.00 H new ATOM 0 HG3 GLU A 16 5.965 -2.785 -5.173 1.00 0.00 H new ATOM 312 N VAL A 17 3.123 -2.742 -1.858 1.00 0.00 N ATOM 313 CA VAL A 17 1.676 -2.636 -2.003 1.00 0.00 C ATOM 314 C VAL A 17 1.222 -1.182 -1.932 1.00 0.00 C ATOM 315 O VAL A 17 1.628 -0.437 -1.040 1.00 0.00 O ATOM 316 CB VAL A 17 0.943 -3.445 -0.918 1.00 0.00 C ATOM 317 CG1 VAL A 17 -0.560 -3.227 -1.013 1.00 0.00 C ATOM 318 CG2 VAL A 17 1.284 -4.923 -1.033 1.00 0.00 C ATOM 0 H VAL A 17 3.429 -3.157 -0.978 1.00 0.00 H new ATOM 0 HA VAL A 17 1.425 -3.045 -2.982 1.00 0.00 H new ATOM 0 HB VAL A 17 1.276 -3.094 0.059 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.061 -3.807 -0.238 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -0.784 -2.169 -0.876 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.913 -3.549 -1.993 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.757 -5.479 -0.258 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.981 -5.291 -2.013 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.358 -5.059 -0.910 1.00 0.00 H new ATOM 328 N ASP A 18 0.378 -0.785 -2.878 1.00 0.00 N ATOM 329 CA ASP A 18 -0.133 0.580 -2.923 1.00 0.00 C ATOM 330 C ASP A 18 -1.589 0.600 -3.378 1.00 0.00 C ATOM 331 O ASP A 18 -2.204 -0.449 -3.573 1.00 0.00 O ATOM 332 CB ASP A 18 0.719 1.437 -3.860 1.00 0.00 C ATOM 333 CG ASP A 18 2.195 1.377 -3.517 1.00 0.00 C ATOM 334 OD1 ASP A 18 2.581 1.917 -2.459 1.00 0.00 O ATOM 335 OD2 ASP A 18 2.964 0.790 -4.306 1.00 0.00 O ATOM 0 H ASP A 18 0.033 -1.389 -3.624 1.00 0.00 H new ATOM 0 HA ASP A 18 -0.079 0.995 -1.916 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.574 1.102 -4.887 1.00 0.00 H new ATOM 0 HB3 ASP A 18 0.379 2.472 -3.811 1.00 0.00 H new ATOM 340 N ASP A 19 -2.135 1.800 -3.545 1.00 0.00 N ATOM 341 CA ASP A 19 -3.518 1.957 -3.978 1.00 0.00 C ATOM 342 C ASP A 19 -3.788 1.147 -5.242 1.00 0.00 C ATOM 343 O ASP A 19 -4.901 0.670 -5.461 1.00 0.00 O ATOM 344 CB ASP A 19 -3.833 3.433 -4.226 1.00 0.00 C ATOM 345 CG ASP A 19 -2.691 4.162 -4.907 1.00 0.00 C ATOM 346 OD1 ASP A 19 -1.695 4.477 -4.223 1.00 0.00 O ATOM 347 OD2 ASP A 19 -2.794 4.417 -6.125 1.00 0.00 O ATOM 0 H ASP A 19 -1.640 2.678 -3.387 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.165 1.584 -3.184 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -4.729 3.512 -4.842 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -4.055 3.919 -3.276 1.00 0.00 H new ATOM 352 N LYS A 20 -2.762 0.997 -6.072 1.00 0.00 N ATOM 353 CA LYS A 20 -2.886 0.245 -7.315 1.00 0.00 C ATOM 354 C LYS A 20 -2.962 -1.253 -7.039 1.00 0.00 C ATOM 355 O LYS A 20 -3.859 -1.940 -7.528 1.00 0.00 O ATOM 356 CB LYS A 20 -1.703 0.546 -8.238 1.00 0.00 C ATOM 357 CG LYS A 20 -0.362 0.116 -7.667 1.00 0.00 C ATOM 358 CD LYS A 20 0.788 0.863 -8.322 1.00 0.00 C ATOM 359 CE LYS A 20 1.210 0.203 -9.626 1.00 0.00 C ATOM 360 NZ LYS A 20 0.452 0.740 -10.790 1.00 0.00 N ATOM 0 H LYS A 20 -1.834 1.387 -5.906 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.809 0.553 -7.806 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -1.860 0.043 -9.192 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -1.675 1.616 -8.442 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.349 0.296 -6.592 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.230 -0.956 -7.812 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.491 1.894 -8.514 1.00 0.00 H new ATOM 0 HD3 LYS A 20 1.637 0.898 -7.639 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.277 0.360 -9.784 1.00 0.00 H new ATOM 0 HE3 LYS A 20 1.053 -0.873 -9.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 0.096 -0.049 -11.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -0.349 1.309 -10.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 1.079 1.336 -11.368 1.00 0.00 H new ATOM 374 N VAL A 21 -2.015 -1.754 -6.252 1.00 0.00 N ATOM 375 CA VAL A 21 -1.976 -3.171 -5.909 1.00 0.00 C ATOM 376 C VAL A 21 -3.257 -3.601 -5.205 1.00 0.00 C ATOM 377 O VAL A 21 -3.790 -4.680 -5.466 1.00 0.00 O ATOM 378 CB VAL A 21 -0.772 -3.496 -5.005 1.00 0.00 C ATOM 379 CG1 VAL A 21 -0.718 -4.986 -4.704 1.00 0.00 C ATOM 380 CG2 VAL A 21 0.522 -3.028 -5.653 1.00 0.00 C ATOM 0 H VAL A 21 -1.264 -1.200 -5.840 1.00 0.00 H new ATOM 0 HA VAL A 21 -1.877 -3.721 -6.845 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.893 -2.963 -4.062 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.139 -5.197 -4.064 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.634 -5.288 -4.196 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.620 -5.542 -5.636 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.362 -3.266 -5.001 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.652 -3.532 -6.611 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.480 -1.951 -5.813 1.00 0.00 H new ATOM 390 N LEU A 22 -3.749 -2.750 -4.311 1.00 0.00 N ATOM 391 CA LEU A 22 -4.970 -3.041 -3.568 1.00 0.00 C ATOM 392 C LEU A 22 -6.190 -2.986 -4.482 1.00 0.00 C ATOM 393 O LEU A 22 -7.128 -3.769 -4.330 1.00 0.00 O ATOM 394 CB LEU A 22 -5.137 -2.050 -2.415 1.00 0.00 C ATOM 395 CG LEU A 22 -4.314 -2.338 -1.158 1.00 0.00 C ATOM 396 CD1 LEU A 22 -4.478 -1.215 -0.145 1.00 0.00 C ATOM 397 CD2 LEU A 22 -4.720 -3.672 -0.549 1.00 0.00 C ATOM 0 H LEU A 22 -3.321 -1.853 -4.083 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.888 -4.050 -3.163 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.875 -1.055 -2.776 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -6.190 -2.021 -2.137 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.263 -2.395 -1.440 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.886 -1.436 0.743 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.138 -0.277 -0.583 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.528 -1.126 0.133 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.124 -3.861 0.344 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.776 -3.643 -0.281 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.551 -4.469 -1.273 1.00 0.00 H new ATOM 409 N HIS A 23 -6.169 -2.057 -5.433 1.00 0.00 N ATOM 410 CA HIS A 23 -7.272 -1.902 -6.374 1.00 0.00 C ATOM 411 C HIS A 23 -7.509 -3.193 -7.152 1.00 0.00 C ATOM 412 O HIS A 23 -8.575 -3.800 -7.055 1.00 0.00 O ATOM 413 CB HIS A 23 -6.986 -0.754 -7.343 1.00 0.00 C ATOM 414 CG HIS A 23 -7.779 -0.829 -8.611 1.00 0.00 C ATOM 415 ND1 HIS A 23 -7.686 -1.883 -9.495 1.00 0.00 N ATOM 416 CD2 HIS A 23 -8.685 0.026 -9.141 1.00 0.00 C ATOM 417 CE1 HIS A 23 -8.499 -1.672 -10.515 1.00 0.00 C ATOM 418 NE2 HIS A 23 -9.117 -0.521 -10.324 1.00 0.00 N ATOM 0 H HIS A 23 -5.401 -1.401 -5.572 1.00 0.00 H new ATOM 0 HA HIS A 23 -8.173 -1.672 -5.805 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -7.200 0.192 -6.846 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -5.924 -0.752 -7.588 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -9.008 0.964 -8.713 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -8.635 -2.329 -11.361 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -9.804 -0.106 -10.953 1.00 0.00 H new ATOM 426 N ALA A 24 -6.508 -3.606 -7.922 1.00 0.00 N ATOM 427 CA ALA A 24 -6.607 -4.825 -8.716 1.00 0.00 C ATOM 428 C ALA A 24 -6.722 -6.054 -7.821 1.00 0.00 C ATOM 429 O ALA A 24 -6.997 -7.155 -8.296 1.00 0.00 O ATOM 430 CB ALA A 24 -5.405 -4.952 -9.639 1.00 0.00 C ATOM 0 H ALA A 24 -5.619 -3.114 -8.013 1.00 0.00 H new ATOM 0 HA ALA A 24 -7.511 -4.763 -9.322 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.492 -5.866 -10.226 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -5.368 -4.093 -10.309 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.492 -4.988 -9.045 1.00 0.00 H new ATOM 436 N ALA A 25 -6.509 -5.858 -6.524 1.00 0.00 N ATOM 437 CA ALA A 25 -6.590 -6.951 -5.562 1.00 0.00 C ATOM 438 C ALA A 25 -7.989 -7.051 -4.963 1.00 0.00 C ATOM 439 O ALA A 25 -8.383 -8.102 -4.456 1.00 0.00 O ATOM 440 CB ALA A 25 -5.555 -6.765 -4.463 1.00 0.00 C ATOM 0 H ALA A 25 -6.279 -4.952 -6.115 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.381 -7.882 -6.088 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -5.627 -7.588 -3.752 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -4.557 -6.751 -4.902 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -5.738 -5.823 -3.947 1.00 0.00 H new ATOM 446 N PHE A 26 -8.734 -5.953 -5.023 1.00 0.00 N ATOM 447 CA PHE A 26 -10.088 -5.917 -4.483 1.00 0.00 C ATOM 448 C PHE A 26 -11.104 -5.623 -5.584 1.00 0.00 C ATOM 449 O PHE A 26 -12.307 -5.556 -5.330 1.00 0.00 O ATOM 450 CB PHE A 26 -10.194 -4.861 -3.381 1.00 0.00 C ATOM 451 CG PHE A 26 -9.491 -5.248 -2.111 1.00 0.00 C ATOM 452 CD1 PHE A 26 -8.166 -5.651 -2.132 1.00 0.00 C ATOM 453 CD2 PHE A 26 -10.157 -5.210 -0.896 1.00 0.00 C ATOM 454 CE1 PHE A 26 -7.516 -6.008 -0.965 1.00 0.00 C ATOM 455 CE2 PHE A 26 -9.513 -5.565 0.274 1.00 0.00 C ATOM 456 CZ PHE A 26 -8.191 -5.966 0.239 1.00 0.00 C ATOM 0 H PHE A 26 -8.423 -5.076 -5.440 1.00 0.00 H new ATOM 0 HA PHE A 26 -10.309 -6.897 -4.059 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -9.777 -3.923 -3.747 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -11.246 -4.679 -3.163 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -7.634 -5.687 -3.071 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -11.191 -4.899 -0.863 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -6.482 -6.319 -0.995 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -10.042 -5.529 1.215 1.00 0.00 H new ATOM 0 HZ PHE A 26 -7.686 -6.246 1.152 1.00 0.00 H new ATOM 466 N ILE A 27 -10.610 -5.448 -6.805 1.00 0.00 N ATOM 467 CA ILE A 27 -11.474 -5.162 -7.943 1.00 0.00 C ATOM 468 C ILE A 27 -12.483 -6.283 -8.164 1.00 0.00 C ATOM 469 O ILE A 27 -13.606 -6.062 -8.617 1.00 0.00 O ATOM 470 CB ILE A 27 -10.657 -4.962 -9.234 1.00 0.00 C ATOM 471 CG1 ILE A 27 -11.478 -4.190 -10.269 1.00 0.00 C ATOM 472 CG2 ILE A 27 -10.215 -6.305 -9.794 1.00 0.00 C ATOM 473 CD1 ILE A 27 -11.725 -2.747 -9.890 1.00 0.00 C ATOM 0 H ILE A 27 -9.617 -5.499 -7.031 1.00 0.00 H new ATOM 0 HA ILE A 27 -12.005 -4.239 -7.711 1.00 0.00 H new ATOM 0 HB ILE A 27 -9.767 -4.379 -8.997 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -10.961 -4.222 -11.228 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -12.437 -4.690 -10.407 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -9.639 -6.147 -10.706 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -9.597 -6.820 -9.059 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -11.092 -6.912 -10.019 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -12.313 -2.262 -10.669 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -12.270 -2.707 -8.947 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -10.771 -2.231 -9.781 1.00 0.00 H new ATOM 485 N PRO A 28 -12.077 -7.518 -7.833 1.00 0.00 N ATOM 486 CA PRO A 28 -12.932 -8.700 -7.983 1.00 0.00 C ATOM 487 C PRO A 28 -14.207 -8.602 -7.153 1.00 0.00 C ATOM 488 O PRO A 28 -15.313 -8.741 -7.676 1.00 0.00 O ATOM 489 CB PRO A 28 -12.050 -9.843 -7.476 1.00 0.00 C ATOM 490 CG PRO A 28 -10.658 -9.321 -7.577 1.00 0.00 C ATOM 491 CD PRO A 28 -10.752 -7.856 -7.287 1.00 0.00 C ATOM 0 HA PRO A 28 -13.271 -8.830 -9.011 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -12.299 -10.110 -6.449 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -12.181 -10.741 -8.079 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -10.000 -9.820 -6.865 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -10.245 -9.498 -8.570 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -10.686 -7.647 -6.219 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -9.955 -7.292 -7.772 1.00 0.00 H new ATOM 499 N PHE A 29 -14.046 -8.362 -5.856 1.00 0.00 N ATOM 500 CA PHE A 29 -15.185 -8.246 -4.953 1.00 0.00 C ATOM 501 C PHE A 29 -16.300 -7.418 -5.586 1.00 0.00 C ATOM 502 O PHE A 29 -17.418 -7.898 -5.768 1.00 0.00 O ATOM 503 CB PHE A 29 -14.752 -7.611 -3.630 1.00 0.00 C ATOM 504 CG PHE A 29 -13.832 -8.480 -2.821 1.00 0.00 C ATOM 505 CD1 PHE A 29 -14.230 -9.743 -2.414 1.00 0.00 C ATOM 506 CD2 PHE A 29 -12.569 -8.033 -2.466 1.00 0.00 C ATOM 507 CE1 PHE A 29 -13.386 -10.546 -1.670 1.00 0.00 C ATOM 508 CE2 PHE A 29 -11.720 -8.831 -1.723 1.00 0.00 C ATOM 509 CZ PHE A 29 -12.130 -10.089 -1.323 1.00 0.00 C ATOM 0 H PHE A 29 -13.138 -8.244 -5.407 1.00 0.00 H new ATOM 0 HA PHE A 29 -15.566 -9.249 -4.760 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -14.255 -6.663 -3.837 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -15.638 -7.384 -3.038 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -15.212 -10.105 -2.681 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -12.245 -7.050 -2.774 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -13.708 -11.529 -1.361 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -10.737 -8.472 -1.455 1.00 0.00 H new ATOM 0 HZ PHE A 29 -11.469 -10.713 -0.740 1.00 0.00 H new ATOM 519 N GLY A 30 -15.985 -6.170 -5.919 1.00 0.00 N ATOM 520 CA GLY A 30 -16.970 -5.294 -6.528 1.00 0.00 C ATOM 521 C GLY A 30 -16.337 -4.228 -7.399 1.00 0.00 C ATOM 522 O GLY A 30 -15.435 -4.514 -8.186 1.00 0.00 O ATOM 0 H GLY A 30 -15.066 -5.750 -5.778 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -17.658 -5.888 -7.129 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -17.560 -4.817 -5.746 1.00 0.00 H new ATOM 526 N ASP A 31 -16.812 -2.995 -7.261 1.00 0.00 N ATOM 527 CA ASP A 31 -16.287 -1.881 -8.042 1.00 0.00 C ATOM 528 C ASP A 31 -15.801 -0.759 -7.131 1.00 0.00 C ATOM 529 O ASP A 31 -16.570 0.127 -6.756 1.00 0.00 O ATOM 530 CB ASP A 31 -17.357 -1.352 -8.998 1.00 0.00 C ATOM 531 CG ASP A 31 -17.919 -2.436 -9.896 1.00 0.00 C ATOM 532 OD1 ASP A 31 -17.225 -2.831 -10.856 1.00 0.00 O ATOM 533 OD2 ASP A 31 -19.053 -2.890 -9.639 1.00 0.00 O ATOM 0 H ASP A 31 -17.560 -2.742 -6.615 1.00 0.00 H new ATOM 0 HA ASP A 31 -15.439 -2.245 -8.623 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -18.167 -0.906 -8.421 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -16.931 -0.560 -9.613 1.00 0.00 H new ATOM 538 N ILE A 32 -14.521 -0.803 -6.777 1.00 0.00 N ATOM 539 CA ILE A 32 -13.933 0.210 -5.910 1.00 0.00 C ATOM 540 C ILE A 32 -14.254 1.615 -6.409 1.00 0.00 C ATOM 541 O ILE A 32 -14.019 1.942 -7.573 1.00 0.00 O ATOM 542 CB ILE A 32 -12.404 0.049 -5.812 1.00 0.00 C ATOM 543 CG1 ILE A 32 -12.050 -1.319 -5.225 1.00 0.00 C ATOM 544 CG2 ILE A 32 -11.807 1.165 -4.966 1.00 0.00 C ATOM 545 CD1 ILE A 32 -10.612 -1.723 -5.461 1.00 0.00 C ATOM 0 H ILE A 32 -13.871 -1.530 -7.077 1.00 0.00 H new ATOM 0 HA ILE A 32 -14.369 0.070 -4.921 1.00 0.00 H new ATOM 0 HB ILE A 32 -11.982 0.114 -6.815 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -12.244 -1.307 -4.153 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -12.707 -2.073 -5.659 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -10.726 1.038 -4.906 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -12.034 2.129 -5.422 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -12.233 1.129 -3.963 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -10.432 -2.703 -5.018 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -10.418 -1.768 -6.533 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -9.948 -0.990 -5.003 1.00 0.00 H new ATOM 557 N THR A 33 -14.792 2.445 -5.520 1.00 0.00 N ATOM 558 CA THR A 33 -15.145 3.815 -5.869 1.00 0.00 C ATOM 559 C THR A 33 -13.971 4.760 -5.640 1.00 0.00 C ATOM 560 O THR A 33 -13.785 5.725 -6.381 1.00 0.00 O ATOM 561 CB THR A 33 -16.354 4.309 -5.053 1.00 0.00 C ATOM 562 OG1 THR A 33 -16.037 4.308 -3.657 1.00 0.00 O ATOM 563 CG2 THR A 33 -17.570 3.429 -5.303 1.00 0.00 C ATOM 0 H THR A 33 -14.993 2.191 -4.553 1.00 0.00 H new ATOM 0 HA THR A 33 -15.407 3.814 -6.927 1.00 0.00 H new ATOM 0 HB THR A 33 -16.588 5.325 -5.370 1.00 0.00 H new ATOM 0 HG1 THR A 33 -16.811 4.625 -3.146 1.00 0.00 H new ATOM 0 HG21 THR A 33 -18.412 3.797 -4.716 1.00 0.00 H new ATOM 0 HG22 THR A 33 -17.827 3.455 -6.362 1.00 0.00 H new ATOM 0 HG23 THR A 33 -17.344 2.404 -5.010 1.00 0.00 H new ATOM 571 N ASP A 34 -13.182 4.477 -4.609 1.00 0.00 N ATOM 572 CA ASP A 34 -12.025 5.302 -4.283 1.00 0.00 C ATOM 573 C ASP A 34 -11.128 4.602 -3.267 1.00 0.00 C ATOM 574 O ASP A 34 -11.581 3.737 -2.517 1.00 0.00 O ATOM 575 CB ASP A 34 -12.475 6.657 -3.736 1.00 0.00 C ATOM 576 CG ASP A 34 -12.810 7.644 -4.838 1.00 0.00 C ATOM 577 OD1 ASP A 34 -12.008 7.767 -5.787 1.00 0.00 O ATOM 578 OD2 ASP A 34 -13.873 8.294 -4.750 1.00 0.00 O ATOM 0 H ASP A 34 -13.323 3.683 -3.985 1.00 0.00 H new ATOM 0 HA ASP A 34 -11.454 5.460 -5.198 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -13.349 6.517 -3.100 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -11.687 7.072 -3.108 1.00 0.00 H new ATOM 583 N ILE A 35 -9.854 4.981 -3.249 1.00 0.00 N ATOM 584 CA ILE A 35 -8.894 4.390 -2.325 1.00 0.00 C ATOM 585 C ILE A 35 -8.053 5.464 -1.645 1.00 0.00 C ATOM 586 O ILE A 35 -7.683 6.461 -2.264 1.00 0.00 O ATOM 587 CB ILE A 35 -7.959 3.399 -3.043 1.00 0.00 C ATOM 588 CG1 ILE A 35 -8.774 2.307 -3.739 1.00 0.00 C ATOM 589 CG2 ILE A 35 -6.977 2.787 -2.055 1.00 0.00 C ATOM 590 CD1 ILE A 35 -8.001 1.564 -4.806 1.00 0.00 C ATOM 0 H ILE A 35 -9.463 5.695 -3.864 1.00 0.00 H new ATOM 0 HA ILE A 35 -9.470 3.853 -1.572 1.00 0.00 H new ATOM 0 HB ILE A 35 -7.392 3.941 -3.800 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -9.124 1.594 -2.992 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -9.659 2.757 -4.189 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -6.323 2.089 -2.577 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -6.377 3.576 -1.602 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.526 2.257 -1.277 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.641 0.805 -5.257 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -7.674 2.266 -5.573 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.131 1.085 -4.358 1.00 0.00 H new ATOM 602 N GLN A 36 -7.753 5.252 -0.367 1.00 0.00 N ATOM 603 CA GLN A 36 -6.954 6.203 0.397 1.00 0.00 C ATOM 604 C GLN A 36 -5.714 5.530 0.975 1.00 0.00 C ATOM 605 O GLN A 36 -5.778 4.400 1.461 1.00 0.00 O ATOM 606 CB GLN A 36 -7.789 6.814 1.523 1.00 0.00 C ATOM 607 CG GLN A 36 -8.792 7.851 1.044 1.00 0.00 C ATOM 608 CD GLN A 36 -9.990 7.229 0.354 1.00 0.00 C ATOM 609 OE1 GLN A 36 -10.220 7.614 -0.896 1.00 0.00 O flip ATOM 610 NE2 GLN A 36 -10.701 6.411 0.937 1.00 0.00 N flip ATOM 0 H GLN A 36 -8.051 4.431 0.160 1.00 0.00 H new ATOM 0 HA GLN A 36 -6.633 6.996 -0.279 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.322 6.017 2.042 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -7.121 7.276 2.250 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -9.133 8.441 1.895 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -8.298 8.538 0.357 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -10.488 6.143 1.898 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -11.503 6.001 0.459 1.00 0.00 H new ATOM 619 N ILE A 37 -4.586 6.230 0.920 1.00 0.00 N ATOM 620 CA ILE A 37 -3.331 5.700 1.439 1.00 0.00 C ATOM 621 C ILE A 37 -2.707 6.656 2.450 1.00 0.00 C ATOM 622 O ILE A 37 -2.501 7.839 2.178 1.00 0.00 O ATOM 623 CB ILE A 37 -2.321 5.436 0.307 1.00 0.00 C ATOM 624 CG1 ILE A 37 -2.916 4.474 -0.723 1.00 0.00 C ATOM 625 CG2 ILE A 37 -1.024 4.878 0.875 1.00 0.00 C ATOM 626 CD1 ILE A 37 -3.009 3.046 -0.233 1.00 0.00 C ATOM 0 H ILE A 37 -4.515 7.166 0.521 1.00 0.00 H new ATOM 0 HA ILE A 37 -3.566 4.757 1.932 1.00 0.00 H new ATOM 0 HB ILE A 37 -2.100 6.380 -0.191 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -3.912 4.820 -0.999 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -2.307 4.501 -1.627 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -0.320 4.696 0.063 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -0.595 5.596 1.574 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -1.228 3.942 1.395 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.440 2.420 -1.015 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -2.012 2.681 0.016 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -3.642 3.006 0.654 1.00 0.00 H new ATOM 638 N PRO A 38 -2.397 6.133 3.645 1.00 0.00 N ATOM 639 CA PRO A 38 -1.789 6.922 4.721 1.00 0.00 C ATOM 640 C PRO A 38 -0.349 7.315 4.409 1.00 0.00 C ATOM 641 O PRO A 38 0.556 6.479 4.449 1.00 0.00 O ATOM 642 CB PRO A 38 -1.837 5.978 5.924 1.00 0.00 C ATOM 643 CG PRO A 38 -1.858 4.611 5.333 1.00 0.00 C ATOM 644 CD PRO A 38 -2.615 4.731 4.039 1.00 0.00 C ATOM 0 HA PRO A 38 -2.312 7.865 4.881 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -0.970 6.116 6.570 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -2.722 6.159 6.534 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -0.846 4.245 5.161 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -2.343 3.903 6.005 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -2.237 4.039 3.287 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -3.674 4.511 4.171 1.00 0.00 H new ATOM 652 N LEU A 39 -0.142 8.590 4.100 1.00 0.00 N ATOM 653 CA LEU A 39 1.190 9.094 3.782 1.00 0.00 C ATOM 654 C LEU A 39 1.481 10.383 4.543 1.00 0.00 C ATOM 655 O LEU A 39 0.580 10.990 5.122 1.00 0.00 O ATOM 656 CB LEU A 39 1.318 9.337 2.277 1.00 0.00 C ATOM 657 CG LEU A 39 1.033 8.135 1.376 1.00 0.00 C ATOM 658 CD1 LEU A 39 1.058 8.547 -0.088 1.00 0.00 C ATOM 659 CD2 LEU A 39 2.039 7.023 1.636 1.00 0.00 C ATOM 0 H LEU A 39 -0.879 9.294 4.063 1.00 0.00 H new ATOM 0 HA LEU A 39 1.918 8.342 4.086 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.638 10.142 2.000 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.329 9.689 2.071 1.00 0.00 H new ATOM 0 HG LEU A 39 0.037 7.759 1.609 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.853 7.678 -0.714 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.299 9.309 -0.265 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.040 8.949 -0.336 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.821 6.176 0.986 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.046 7.388 1.431 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.972 6.708 2.677 1.00 0.00 H new ATOM 671 N ASP A 40 2.743 10.795 4.537 1.00 0.00 N ATOM 672 CA ASP A 40 3.153 12.014 5.225 1.00 0.00 C ATOM 673 C ASP A 40 3.346 13.158 4.234 1.00 0.00 C ATOM 674 O ASP A 40 3.151 12.990 3.030 1.00 0.00 O ATOM 675 CB ASP A 40 4.446 11.775 6.005 1.00 0.00 C ATOM 676 CG ASP A 40 4.550 12.654 7.236 1.00 0.00 C ATOM 677 OD1 ASP A 40 3.646 12.583 8.094 1.00 0.00 O ATOM 678 OD2 ASP A 40 5.536 13.414 7.342 1.00 0.00 O ATOM 0 H ASP A 40 3.501 10.303 4.063 1.00 0.00 H new ATOM 0 HA ASP A 40 2.363 12.291 5.923 1.00 0.00 H new ATOM 0 HB2 ASP A 40 4.498 10.728 6.304 1.00 0.00 H new ATOM 0 HB3 ASP A 40 5.300 11.964 5.354 1.00 0.00 H new ATOM 683 N TYR A 41 3.729 14.321 4.749 1.00 0.00 N ATOM 684 CA TYR A 41 3.944 15.494 3.910 1.00 0.00 C ATOM 685 C TYR A 41 5.430 15.697 3.629 1.00 0.00 C ATOM 686 O TYR A 41 5.806 16.456 2.736 1.00 0.00 O ATOM 687 CB TYR A 41 3.366 16.741 4.581 1.00 0.00 C ATOM 688 CG TYR A 41 3.777 16.895 6.028 1.00 0.00 C ATOM 689 CD1 TYR A 41 3.107 16.215 7.037 1.00 0.00 C ATOM 690 CD2 TYR A 41 4.834 17.723 6.386 1.00 0.00 C ATOM 691 CE1 TYR A 41 3.478 16.353 8.361 1.00 0.00 C ATOM 692 CE2 TYR A 41 5.213 17.866 7.707 1.00 0.00 C ATOM 693 CZ TYR A 41 4.532 17.179 8.690 1.00 0.00 C ATOM 694 OH TYR A 41 4.906 17.321 10.007 1.00 0.00 O ATOM 0 H TYR A 41 3.897 14.477 5.743 1.00 0.00 H new ATOM 0 HA TYR A 41 3.432 15.330 2.962 1.00 0.00 H new ATOM 0 HB2 TYR A 41 3.685 17.623 4.026 1.00 0.00 H new ATOM 0 HB3 TYR A 41 2.278 16.704 4.523 1.00 0.00 H new ATOM 0 HD1 TYR A 41 2.281 15.567 6.782 1.00 0.00 H new ATOM 0 HD2 TYR A 41 5.368 18.264 5.619 1.00 0.00 H new ATOM 0 HE1 TYR A 41 2.946 15.817 9.133 1.00 0.00 H new ATOM 0 HE2 TYR A 41 6.038 18.512 7.968 1.00 0.00 H new ATOM 0 HH TYR A 41 5.666 17.937 10.067 1.00 0.00 H new ATOM 704 N GLU A 42 6.270 15.013 4.399 1.00 0.00 N ATOM 705 CA GLU A 42 7.715 15.117 4.234 1.00 0.00 C ATOM 706 C GLU A 42 8.249 13.974 3.375 1.00 0.00 C ATOM 707 O GLU A 42 8.995 14.195 2.421 1.00 0.00 O ATOM 708 CB GLU A 42 8.408 15.113 5.598 1.00 0.00 C ATOM 709 CG GLU A 42 8.065 16.316 6.460 1.00 0.00 C ATOM 710 CD GLU A 42 8.583 16.184 7.879 1.00 0.00 C ATOM 711 OE1 GLU A 42 8.041 15.349 8.632 1.00 0.00 O ATOM 712 OE2 GLU A 42 9.529 16.916 8.236 1.00 0.00 O ATOM 0 H GLU A 42 5.975 14.381 5.143 1.00 0.00 H new ATOM 0 HA GLU A 42 7.930 16.058 3.728 1.00 0.00 H new ATOM 0 HB2 GLU A 42 8.133 14.204 6.133 1.00 0.00 H new ATOM 0 HB3 GLU A 42 9.487 15.081 5.447 1.00 0.00 H new ATOM 0 HG2 GLU A 42 8.484 17.214 6.007 1.00 0.00 H new ATOM 0 HG3 GLU A 42 6.983 16.445 6.483 1.00 0.00 H new ATOM 719 N THR A 43 7.862 12.751 3.722 1.00 0.00 N ATOM 720 CA THR A 43 8.302 11.572 2.986 1.00 0.00 C ATOM 721 C THR A 43 7.186 11.029 2.101 1.00 0.00 C ATOM 722 O THR A 43 7.444 10.474 1.033 1.00 0.00 O ATOM 723 CB THR A 43 8.774 10.459 3.940 1.00 0.00 C ATOM 724 OG1 THR A 43 7.670 9.973 4.712 1.00 0.00 O ATOM 725 CG2 THR A 43 9.865 10.969 4.870 1.00 0.00 C ATOM 0 H THR A 43 7.244 12.551 4.509 1.00 0.00 H new ATOM 0 HA THR A 43 9.139 11.883 2.361 1.00 0.00 H new ATOM 0 HB THR A 43 9.182 9.646 3.339 1.00 0.00 H new ATOM 0 HG1 THR A 43 7.979 9.264 5.315 1.00 0.00 H new ATOM 0 HG21 THR A 43 10.182 10.165 5.534 1.00 0.00 H new ATOM 0 HG22 THR A 43 10.716 11.309 4.280 1.00 0.00 H new ATOM 0 HG23 THR A 43 9.479 11.798 5.463 1.00 0.00 H new ATOM 733 N GLU A 44 5.946 11.192 2.552 1.00 0.00 N ATOM 734 CA GLU A 44 4.792 10.716 1.800 1.00 0.00 C ATOM 735 C GLU A 44 4.831 9.199 1.644 1.00 0.00 C ATOM 736 O GLU A 44 4.497 8.662 0.587 1.00 0.00 O ATOM 737 CB GLU A 44 4.744 11.380 0.422 1.00 0.00 C ATOM 738 CG GLU A 44 4.722 12.898 0.478 1.00 0.00 C ATOM 739 CD GLU A 44 5.108 13.537 -0.842 1.00 0.00 C ATOM 740 OE1 GLU A 44 6.317 13.753 -1.066 1.00 0.00 O ATOM 741 OE2 GLU A 44 4.200 13.819 -1.652 1.00 0.00 O ATOM 0 H GLU A 44 5.716 11.650 3.434 1.00 0.00 H new ATOM 0 HA GLU A 44 3.894 10.983 2.356 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.610 11.059 -0.157 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.858 11.032 -0.109 1.00 0.00 H new ATOM 0 HG2 GLU A 44 3.724 13.233 0.761 1.00 0.00 H new ATOM 0 HG3 GLU A 44 5.405 13.239 1.256 1.00 0.00 H new ATOM 748 N LYS A 45 5.242 8.512 2.705 1.00 0.00 N ATOM 749 CA LYS A 45 5.325 7.056 2.689 1.00 0.00 C ATOM 750 C LYS A 45 4.298 6.442 3.635 1.00 0.00 C ATOM 751 O LYS A 45 3.850 7.087 4.583 1.00 0.00 O ATOM 752 CB LYS A 45 6.732 6.601 3.082 1.00 0.00 C ATOM 753 CG LYS A 45 7.827 7.177 2.200 1.00 0.00 C ATOM 754 CD LYS A 45 9.131 6.414 2.359 1.00 0.00 C ATOM 755 CE LYS A 45 10.105 6.735 1.235 1.00 0.00 C ATOM 756 NZ LYS A 45 9.752 6.024 -0.025 1.00 0.00 N ATOM 0 H LYS A 45 5.523 8.940 3.587 1.00 0.00 H new ATOM 0 HA LYS A 45 5.109 6.716 1.676 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.922 6.888 4.116 1.00 0.00 H new ATOM 0 HB3 LYS A 45 6.778 5.513 3.040 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.510 7.144 1.158 1.00 0.00 H new ATOM 0 HG3 LYS A 45 7.985 8.225 2.453 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.585 6.664 3.318 1.00 0.00 H new ATOM 0 HD3 LYS A 45 8.928 5.343 2.371 1.00 0.00 H new ATOM 0 HE2 LYS A 45 10.111 7.810 1.056 1.00 0.00 H new ATOM 0 HE3 LYS A 45 11.114 6.457 1.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 10.494 6.188 -0.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 9.671 5.004 0.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 8.844 6.383 -0.384 1.00 0.00 H new ATOM 770 N HIS A 46 3.930 5.192 3.371 1.00 0.00 N ATOM 771 CA HIS A 46 2.957 4.491 4.201 1.00 0.00 C ATOM 772 C HIS A 46 3.655 3.540 5.169 1.00 0.00 C ATOM 773 O HIS A 46 4.785 3.113 4.930 1.00 0.00 O ATOM 774 CB HIS A 46 1.974 3.714 3.325 1.00 0.00 C ATOM 775 CG HIS A 46 2.466 2.356 2.931 1.00 0.00 C ATOM 776 ND1 HIS A 46 2.833 1.393 3.847 1.00 0.00 N ATOM 777 CD2 HIS A 46 2.649 1.800 1.710 1.00 0.00 C ATOM 778 CE1 HIS A 46 3.222 0.305 3.208 1.00 0.00 C ATOM 779 NE2 HIS A 46 3.120 0.526 1.909 1.00 0.00 N ATOM 0 H HIS A 46 4.291 4.644 2.590 1.00 0.00 H new ATOM 0 HA HIS A 46 2.408 5.233 4.780 1.00 0.00 H new ATOM 0 HB2 HIS A 46 1.030 3.608 3.859 1.00 0.00 H new ATOM 0 HB3 HIS A 46 1.768 4.292 2.424 1.00 0.00 H new ATOM 0 HD2 HIS A 46 2.460 2.271 0.757 1.00 0.00 H new ATOM 0 HE1 HIS A 46 3.565 -0.610 3.668 1.00 0.00 H new ATOM 0 HE2 HIS A 46 3.353 -0.141 1.174 1.00 0.00 H new ATOM 787 N ARG A 47 2.974 3.212 6.262 1.00 0.00 N ATOM 788 CA ARG A 47 3.528 2.313 7.267 1.00 0.00 C ATOM 789 C ARG A 47 3.203 0.860 6.936 1.00 0.00 C ATOM 790 O ARG A 47 4.023 -0.034 7.145 1.00 0.00 O ATOM 791 CB ARG A 47 2.984 2.665 8.653 1.00 0.00 C ATOM 792 CG ARG A 47 3.723 3.812 9.324 1.00 0.00 C ATOM 793 CD ARG A 47 4.948 3.321 10.078 1.00 0.00 C ATOM 794 NE ARG A 47 6.134 3.276 9.226 1.00 0.00 N ATOM 795 CZ ARG A 47 6.864 4.344 8.927 1.00 0.00 C ATOM 796 NH1 ARG A 47 6.532 5.535 9.407 1.00 0.00 N ATOM 797 NH2 ARG A 47 7.929 4.223 8.145 1.00 0.00 N ATOM 0 H ARG A 47 2.037 3.556 6.474 1.00 0.00 H new ATOM 0 HA ARG A 47 4.611 2.434 7.268 1.00 0.00 H new ATOM 0 HB2 ARG A 47 1.929 2.926 8.565 1.00 0.00 H new ATOM 0 HB3 ARG A 47 3.042 1.784 9.292 1.00 0.00 H new ATOM 0 HG2 ARG A 47 4.025 4.541 8.572 1.00 0.00 H new ATOM 0 HG3 ARG A 47 3.052 4.325 10.013 1.00 0.00 H new ATOM 0 HD2 ARG A 47 5.137 3.976 10.928 1.00 0.00 H new ATOM 0 HD3 ARG A 47 4.752 2.327 10.479 1.00 0.00 H new ATOM 0 HE ARG A 47 6.417 2.375 8.840 1.00 0.00 H new ATOM 0 HH11 ARG A 47 5.714 5.633 10.008 1.00 0.00 H new ATOM 0 HH12 ARG A 47 7.095 6.353 9.175 1.00 0.00 H new ATOM 0 HH21 ARG A 47 8.187 3.309 7.773 1.00 0.00 H new ATOM 0 HH22 ARG A 47 8.489 5.044 7.916 1.00 0.00 H new ATOM 811 N GLY A 48 2.000 0.631 6.417 1.00 0.00 N ATOM 812 CA GLY A 48 1.588 -0.715 6.066 1.00 0.00 C ATOM 813 C GLY A 48 0.095 -0.924 6.225 1.00 0.00 C ATOM 814 O GLY A 48 -0.340 -1.871 6.881 1.00 0.00 O ATOM 0 H GLY A 48 1.304 1.354 6.234 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.873 -0.922 5.034 1.00 0.00 H new ATOM 0 HA3 GLY A 48 2.121 -1.430 6.693 1.00 0.00 H new ATOM 818 N PHE A 49 -0.692 -0.038 5.625 1.00 0.00 N ATOM 819 CA PHE A 49 -2.146 -0.128 5.706 1.00 0.00 C ATOM 820 C PHE A 49 -2.806 0.936 4.834 1.00 0.00 C ATOM 821 O PHE A 49 -2.167 1.908 4.432 1.00 0.00 O ATOM 822 CB PHE A 49 -2.608 0.025 7.156 1.00 0.00 C ATOM 823 CG PHE A 49 -1.922 1.144 7.888 1.00 0.00 C ATOM 824 CD1 PHE A 49 -2.424 2.434 7.835 1.00 0.00 C ATOM 825 CD2 PHE A 49 -0.776 0.905 8.629 1.00 0.00 C ATOM 826 CE1 PHE A 49 -1.796 3.465 8.508 1.00 0.00 C ATOM 827 CE2 PHE A 49 -0.144 1.932 9.304 1.00 0.00 C ATOM 828 CZ PHE A 49 -0.654 3.214 9.242 1.00 0.00 C ATOM 0 H PHE A 49 -0.348 0.751 5.077 1.00 0.00 H new ATOM 0 HA PHE A 49 -2.445 -1.110 5.339 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -3.684 0.198 7.170 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -2.429 -0.910 7.687 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -3.316 2.636 7.261 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -0.372 -0.095 8.680 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -2.198 4.466 8.460 1.00 0.00 H new ATOM 0 HE2 PHE A 49 0.748 1.732 9.879 1.00 0.00 H new ATOM 0 HZ PHE A 49 -0.160 4.019 9.767 1.00 0.00 H new ATOM 838 N ALA A 50 -4.089 0.744 4.546 1.00 0.00 N ATOM 839 CA ALA A 50 -4.837 1.687 3.724 1.00 0.00 C ATOM 840 C ALA A 50 -6.340 1.500 3.903 1.00 0.00 C ATOM 841 O ALA A 50 -6.782 0.650 4.677 1.00 0.00 O ATOM 842 CB ALA A 50 -4.455 1.529 2.260 1.00 0.00 C ATOM 0 H ALA A 50 -4.632 -0.056 4.870 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.582 2.696 4.049 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.021 2.239 1.658 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.389 1.720 2.140 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -4.681 0.514 1.932 1.00 0.00 H new ATOM 848 N PHE A 51 -7.121 2.300 3.184 1.00 0.00 N ATOM 849 CA PHE A 51 -8.575 2.223 3.266 1.00 0.00 C ATOM 850 C PHE A 51 -9.194 2.139 1.874 1.00 0.00 C ATOM 851 O PHE A 51 -8.944 2.989 1.019 1.00 0.00 O ATOM 852 CB PHE A 51 -9.130 3.439 4.011 1.00 0.00 C ATOM 853 CG PHE A 51 -8.557 3.611 5.388 1.00 0.00 C ATOM 854 CD1 PHE A 51 -8.867 2.714 6.399 1.00 0.00 C ATOM 855 CD2 PHE A 51 -7.708 4.668 5.674 1.00 0.00 C ATOM 856 CE1 PHE A 51 -8.342 2.871 7.667 1.00 0.00 C ATOM 857 CE2 PHE A 51 -7.180 4.829 6.941 1.00 0.00 C ATOM 858 CZ PHE A 51 -7.497 3.928 7.939 1.00 0.00 C ATOM 0 H PHE A 51 -6.772 3.008 2.539 1.00 0.00 H new ATOM 0 HA PHE A 51 -8.836 1.319 3.816 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -8.927 4.337 3.427 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -10.213 3.346 4.086 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -9.526 1.884 6.193 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -7.456 5.375 4.897 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -8.593 2.166 8.446 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -6.520 5.658 7.151 1.00 0.00 H new ATOM 0 HZ PHE A 51 -7.085 4.050 8.930 1.00 0.00 H new ATOM 868 N VAL A 52 -10.002 1.107 1.653 1.00 0.00 N ATOM 869 CA VAL A 52 -10.658 0.911 0.366 1.00 0.00 C ATOM 870 C VAL A 52 -12.170 1.056 0.491 1.00 0.00 C ATOM 871 O VAL A 52 -12.772 0.570 1.448 1.00 0.00 O ATOM 872 CB VAL A 52 -10.333 -0.474 -0.224 1.00 0.00 C ATOM 873 CG1 VAL A 52 -10.915 -0.608 -1.623 1.00 0.00 C ATOM 874 CG2 VAL A 52 -8.830 -0.708 -0.238 1.00 0.00 C ATOM 0 H VAL A 52 -10.218 0.393 2.349 1.00 0.00 H new ATOM 0 HA VAL A 52 -10.277 1.682 -0.304 1.00 0.00 H new ATOM 0 HB VAL A 52 -10.790 -1.235 0.408 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -10.675 -1.593 -2.024 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -11.997 -0.487 -1.580 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -10.490 0.160 -2.269 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -8.619 -1.691 -0.658 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -8.348 0.058 -0.846 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -8.444 -0.658 0.780 1.00 0.00 H new ATOM 884 N GLU A 53 -12.778 1.729 -0.481 1.00 0.00 N ATOM 885 CA GLU A 53 -14.221 1.938 -0.478 1.00 0.00 C ATOM 886 C GLU A 53 -14.909 0.995 -1.461 1.00 0.00 C ATOM 887 O GLU A 53 -14.351 0.651 -2.503 1.00 0.00 O ATOM 888 CB GLU A 53 -14.549 3.390 -0.833 1.00 0.00 C ATOM 889 CG GLU A 53 -14.644 4.305 0.376 1.00 0.00 C ATOM 890 CD GLU A 53 -14.239 5.732 0.061 1.00 0.00 C ATOM 891 OE1 GLU A 53 -13.030 6.036 0.143 1.00 0.00 O ATOM 892 OE2 GLU A 53 -15.129 6.544 -0.268 1.00 0.00 O ATOM 0 H GLU A 53 -12.294 2.138 -1.280 1.00 0.00 H new ATOM 0 HA GLU A 53 -14.591 1.724 0.525 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -13.783 3.772 -1.508 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -15.494 3.418 -1.375 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -15.666 4.296 0.754 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -14.007 3.918 1.171 1.00 0.00 H new ATOM 899 N PHE A 54 -16.125 0.579 -1.121 1.00 0.00 N ATOM 900 CA PHE A 54 -16.890 -0.325 -1.971 1.00 0.00 C ATOM 901 C PHE A 54 -18.174 0.341 -2.457 1.00 0.00 C ATOM 902 O PHE A 54 -18.849 1.036 -1.699 1.00 0.00 O ATOM 903 CB PHE A 54 -17.224 -1.612 -1.213 1.00 0.00 C ATOM 904 CG PHE A 54 -16.088 -2.594 -1.169 1.00 0.00 C ATOM 905 CD1 PHE A 54 -14.827 -2.196 -0.756 1.00 0.00 C ATOM 906 CD2 PHE A 54 -16.282 -3.914 -1.541 1.00 0.00 C ATOM 907 CE1 PHE A 54 -13.780 -3.098 -0.714 1.00 0.00 C ATOM 908 CE2 PHE A 54 -15.239 -4.820 -1.501 1.00 0.00 C ATOM 909 CZ PHE A 54 -13.986 -4.411 -1.088 1.00 0.00 C ATOM 0 H PHE A 54 -16.601 0.854 -0.262 1.00 0.00 H new ATOM 0 HA PHE A 54 -16.279 -0.571 -2.839 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -17.514 -1.359 -0.193 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -18.086 -2.087 -1.681 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -14.660 -1.170 -0.464 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -17.259 -4.239 -1.866 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -12.802 -2.776 -0.389 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -15.404 -5.847 -1.792 1.00 0.00 H new ATOM 0 HZ PHE A 54 -13.169 -5.117 -1.058 1.00 0.00 H new ATOM 919 N GLU A 55 -18.504 0.121 -3.726 1.00 0.00 N ATOM 920 CA GLU A 55 -19.706 0.701 -4.313 1.00 0.00 C ATOM 921 C GLU A 55 -20.925 0.433 -3.434 1.00 0.00 C ATOM 922 O GLU A 55 -21.855 1.238 -3.380 1.00 0.00 O ATOM 923 CB GLU A 55 -19.940 0.135 -5.715 1.00 0.00 C ATOM 924 CG GLU A 55 -20.891 0.969 -6.557 1.00 0.00 C ATOM 925 CD GLU A 55 -21.040 0.435 -7.969 1.00 0.00 C ATOM 926 OE1 GLU A 55 -21.559 -0.690 -8.127 1.00 0.00 O ATOM 927 OE2 GLU A 55 -20.638 1.143 -8.916 1.00 0.00 O ATOM 0 H GLU A 55 -17.956 -0.454 -4.366 1.00 0.00 H new ATOM 0 HA GLU A 55 -19.561 1.779 -4.384 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -18.983 0.058 -6.231 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -20.337 -0.876 -5.628 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -21.869 0.994 -6.077 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -20.529 1.996 -6.597 1.00 0.00 H new ATOM 934 N LEU A 56 -20.913 -0.705 -2.748 1.00 0.00 N ATOM 935 CA LEU A 56 -22.016 -1.081 -1.872 1.00 0.00 C ATOM 936 C LEU A 56 -21.501 -1.529 -0.508 1.00 0.00 C ATOM 937 O LEU A 56 -20.293 -1.601 -0.283 1.00 0.00 O ATOM 938 CB LEU A 56 -22.841 -2.201 -2.510 1.00 0.00 C ATOM 939 CG LEU A 56 -23.433 -1.897 -3.887 1.00 0.00 C ATOM 940 CD1 LEU A 56 -23.892 -3.179 -4.565 1.00 0.00 C ATOM 941 CD2 LEU A 56 -24.586 -0.912 -3.767 1.00 0.00 C ATOM 0 H LEU A 56 -20.152 -1.383 -2.782 1.00 0.00 H new ATOM 0 HA LEU A 56 -22.649 -0.205 -1.731 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -22.211 -3.086 -2.595 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -23.657 -2.455 -1.834 1.00 0.00 H new ATOM 0 HG LEU A 56 -22.657 -1.442 -4.503 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -24.310 -2.943 -5.544 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -23.042 -3.851 -4.686 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -24.653 -3.663 -3.952 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -24.995 -0.708 -4.757 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -25.364 -1.338 -3.134 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -24.226 0.017 -3.324 1.00 0.00 H new ATOM 953 N ALA A 57 -22.424 -1.830 0.399 1.00 0.00 N ATOM 954 CA ALA A 57 -22.063 -2.274 1.739 1.00 0.00 C ATOM 955 C ALA A 57 -21.872 -3.786 1.783 1.00 0.00 C ATOM 956 O ALA A 57 -20.912 -4.283 2.371 1.00 0.00 O ATOM 957 CB ALA A 57 -23.124 -1.844 2.742 1.00 0.00 C ATOM 0 H ALA A 57 -23.428 -1.774 0.230 1.00 0.00 H new ATOM 0 HA ALA A 57 -21.116 -1.806 2.007 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -22.841 -2.183 3.739 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -23.209 -0.757 2.738 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -24.083 -2.284 2.468 1.00 0.00 H new ATOM 963 N GLU A 58 -22.794 -4.513 1.158 1.00 0.00 N ATOM 964 CA GLU A 58 -22.726 -5.969 1.129 1.00 0.00 C ATOM 965 C GLU A 58 -21.394 -6.441 0.553 1.00 0.00 C ATOM 966 O GLU A 58 -20.751 -7.336 1.101 1.00 0.00 O ATOM 967 CB GLU A 58 -23.882 -6.539 0.303 1.00 0.00 C ATOM 968 CG GLU A 58 -23.965 -5.966 -1.103 1.00 0.00 C ATOM 969 CD GLU A 58 -25.088 -6.579 -1.917 1.00 0.00 C ATOM 970 OE1 GLU A 58 -26.264 -6.274 -1.628 1.00 0.00 O ATOM 971 OE2 GLU A 58 -24.791 -7.364 -2.841 1.00 0.00 O ATOM 0 H GLU A 58 -23.595 -4.118 0.666 1.00 0.00 H new ATOM 0 HA GLU A 58 -22.807 -6.331 2.154 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -23.773 -7.622 0.239 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -24.820 -6.343 0.822 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -24.111 -4.887 -1.044 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -23.017 -6.132 -1.615 1.00 0.00 H new ATOM 978 N ASP A 59 -20.987 -5.832 -0.555 1.00 0.00 N ATOM 979 CA ASP A 59 -19.731 -6.188 -1.206 1.00 0.00 C ATOM 980 C ASP A 59 -18.556 -6.022 -0.247 1.00 0.00 C ATOM 981 O ASP A 59 -17.642 -6.845 -0.223 1.00 0.00 O ATOM 982 CB ASP A 59 -19.515 -5.327 -2.451 1.00 0.00 C ATOM 983 CG ASP A 59 -20.536 -5.609 -3.535 1.00 0.00 C ATOM 984 OD1 ASP A 59 -20.729 -6.796 -3.874 1.00 0.00 O ATOM 985 OD2 ASP A 59 -21.144 -4.644 -4.044 1.00 0.00 O ATOM 0 H ASP A 59 -21.508 -5.090 -1.021 1.00 0.00 H new ATOM 0 HA ASP A 59 -19.789 -7.235 -1.504 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -19.565 -4.274 -2.174 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -18.514 -5.506 -2.844 1.00 0.00 H new ATOM 990 N ALA A 60 -18.588 -4.952 0.540 1.00 0.00 N ATOM 991 CA ALA A 60 -17.526 -4.679 1.501 1.00 0.00 C ATOM 992 C ALA A 60 -17.444 -5.778 2.555 1.00 0.00 C ATOM 993 O ALA A 60 -16.374 -6.334 2.803 1.00 0.00 O ATOM 994 CB ALA A 60 -17.748 -3.327 2.162 1.00 0.00 C ATOM 0 H ALA A 60 -19.337 -4.260 0.531 1.00 0.00 H new ATOM 0 HA ALA A 60 -16.579 -4.657 0.962 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -16.948 -3.136 2.877 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -17.749 -2.546 1.402 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -18.706 -3.329 2.682 1.00 0.00 H new ATOM 1000 N ALA A 61 -18.580 -6.086 3.172 1.00 0.00 N ATOM 1001 CA ALA A 61 -18.635 -7.119 4.199 1.00 0.00 C ATOM 1002 C ALA A 61 -18.049 -8.432 3.689 1.00 0.00 C ATOM 1003 O ALA A 61 -17.291 -9.099 4.393 1.00 0.00 O ATOM 1004 CB ALA A 61 -20.069 -7.325 4.663 1.00 0.00 C ATOM 0 H ALA A 61 -19.474 -5.635 2.979 1.00 0.00 H new ATOM 0 HA ALA A 61 -18.034 -6.787 5.046 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -20.096 -8.099 5.430 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -20.456 -6.393 5.075 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -20.685 -7.631 3.817 1.00 0.00 H new ATOM 1010 N ALA A 62 -18.405 -8.796 2.461 1.00 0.00 N ATOM 1011 CA ALA A 62 -17.912 -10.028 1.857 1.00 0.00 C ATOM 1012 C ALA A 62 -16.402 -9.974 1.654 1.00 0.00 C ATOM 1013 O ALA A 62 -15.710 -10.980 1.806 1.00 0.00 O ATOM 1014 CB ALA A 62 -18.616 -10.284 0.533 1.00 0.00 C ATOM 0 H ALA A 62 -19.033 -8.256 1.865 1.00 0.00 H new ATOM 0 HA ALA A 62 -18.131 -10.851 2.538 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -18.239 -11.207 0.093 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -19.689 -10.375 0.703 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -18.426 -9.453 -0.147 1.00 0.00 H new ATOM 1020 N ALA A 63 -15.897 -8.794 1.310 1.00 0.00 N ATOM 1021 CA ALA A 63 -14.468 -8.610 1.088 1.00 0.00 C ATOM 1022 C ALA A 63 -13.679 -8.835 2.373 1.00 0.00 C ATOM 1023 O ALA A 63 -12.583 -9.395 2.350 1.00 0.00 O ATOM 1024 CB ALA A 63 -14.195 -7.218 0.536 1.00 0.00 C ATOM 0 H ALA A 63 -16.456 -7.951 1.179 1.00 0.00 H new ATOM 0 HA ALA A 63 -14.141 -9.350 0.358 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -13.124 -7.094 0.375 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -14.721 -7.092 -0.410 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -14.544 -6.470 1.248 1.00 0.00 H new ATOM 1030 N ILE A 64 -14.243 -8.395 3.493 1.00 0.00 N ATOM 1031 CA ILE A 64 -13.592 -8.549 4.788 1.00 0.00 C ATOM 1032 C ILE A 64 -13.529 -10.016 5.200 1.00 0.00 C ATOM 1033 O ILE A 64 -12.453 -10.552 5.466 1.00 0.00 O ATOM 1034 CB ILE A 64 -14.321 -7.750 5.884 1.00 0.00 C ATOM 1035 CG1 ILE A 64 -14.395 -6.270 5.502 1.00 0.00 C ATOM 1036 CG2 ILE A 64 -13.617 -7.922 7.222 1.00 0.00 C ATOM 1037 CD1 ILE A 64 -15.295 -5.457 6.407 1.00 0.00 C ATOM 0 H ILE A 64 -15.150 -7.929 3.529 1.00 0.00 H new ATOM 0 HA ILE A 64 -12.579 -8.160 4.680 1.00 0.00 H new ATOM 0 HB ILE A 64 -15.337 -8.134 5.978 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -13.391 -5.846 5.526 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -14.753 -6.185 4.476 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -14.144 -7.351 7.987 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -13.610 -8.977 7.497 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -12.591 -7.561 7.143 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -15.300 -4.418 6.077 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -16.309 -5.855 6.365 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -14.926 -5.511 7.431 1.00 0.00 H new ATOM 1049 N ASP A 65 -14.690 -10.660 5.251 1.00 0.00 N ATOM 1050 CA ASP A 65 -14.768 -12.067 5.628 1.00 0.00 C ATOM 1051 C ASP A 65 -13.730 -12.891 4.872 1.00 0.00 C ATOM 1052 O ASP A 65 -13.239 -13.900 5.374 1.00 0.00 O ATOM 1053 CB ASP A 65 -16.170 -12.613 5.354 1.00 0.00 C ATOM 1054 CG ASP A 65 -17.109 -12.410 6.526 1.00 0.00 C ATOM 1055 OD1 ASP A 65 -17.593 -11.273 6.710 1.00 0.00 O ATOM 1056 OD2 ASP A 65 -17.362 -13.388 7.260 1.00 0.00 O ATOM 0 H ASP A 65 -15.590 -10.230 5.036 1.00 0.00 H new ATOM 0 HA ASP A 65 -14.559 -12.144 6.695 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -16.582 -12.122 4.473 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -16.104 -13.677 5.125 1.00 0.00 H new ATOM 1061 N ASN A 66 -13.403 -12.453 3.660 1.00 0.00 N ATOM 1062 CA ASN A 66 -12.426 -13.151 2.833 1.00 0.00 C ATOM 1063 C ASN A 66 -11.025 -12.587 3.053 1.00 0.00 C ATOM 1064 O ASN A 66 -10.192 -13.207 3.713 1.00 0.00 O ATOM 1065 CB ASN A 66 -12.805 -13.040 1.355 1.00 0.00 C ATOM 1066 CG ASN A 66 -13.938 -13.975 0.978 1.00 0.00 C ATOM 1067 OD1 ASN A 66 -13.715 -15.032 0.387 1.00 0.00 O ATOM 1068 ND2 ASN A 66 -15.162 -13.589 1.319 1.00 0.00 N ATOM 0 H ASN A 66 -13.800 -11.618 3.229 1.00 0.00 H new ATOM 0 HA ASN A 66 -12.426 -14.202 3.124 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -13.096 -12.013 1.133 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -11.933 -13.264 0.741 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -15.964 -14.177 1.092 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -15.300 -12.705 1.808 1.00 0.00 H new ATOM 1075 N MET A 67 -10.774 -11.406 2.496 1.00 0.00 N ATOM 1076 CA MET A 67 -9.476 -10.758 2.633 1.00 0.00 C ATOM 1077 C MET A 67 -8.949 -10.892 4.058 1.00 0.00 C ATOM 1078 O MET A 67 -7.740 -10.871 4.288 1.00 0.00 O ATOM 1079 CB MET A 67 -9.577 -9.280 2.251 1.00 0.00 C ATOM 1080 CG MET A 67 -9.961 -9.053 0.798 1.00 0.00 C ATOM 1081 SD MET A 67 -8.986 -10.052 -0.343 1.00 0.00 S ATOM 1082 CE MET A 67 -7.358 -9.341 -0.110 1.00 0.00 C ATOM 0 H MET A 67 -11.453 -10.879 1.946 1.00 0.00 H new ATOM 0 HA MET A 67 -8.778 -11.253 1.958 1.00 0.00 H new ATOM 0 HB2 MET A 67 -10.314 -8.797 2.893 1.00 0.00 H new ATOM 0 HB3 MET A 67 -8.619 -8.797 2.445 1.00 0.00 H new ATOM 0 HG2 MET A 67 -11.018 -9.284 0.665 1.00 0.00 H new ATOM 0 HG3 MET A 67 -9.832 -7.999 0.553 1.00 0.00 H new ATOM 0 HE1 MET A 67 -7.042 -8.847 -1.029 1.00 0.00 H new ATOM 0 HE2 MET A 67 -7.392 -8.613 0.700 1.00 0.00 H new ATOM 0 HE3 MET A 67 -6.649 -10.130 0.141 1.00 0.00 H new ATOM 1092 N ASN A 68 -9.864 -11.028 5.012 1.00 0.00 N ATOM 1093 CA ASN A 68 -9.491 -11.164 6.416 1.00 0.00 C ATOM 1094 C ASN A 68 -8.423 -12.239 6.593 1.00 0.00 C ATOM 1095 O ASN A 68 -8.632 -13.399 6.241 1.00 0.00 O ATOM 1096 CB ASN A 68 -10.720 -11.507 7.261 1.00 0.00 C ATOM 1097 CG ASN A 68 -10.354 -12.200 8.559 1.00 0.00 C ATOM 1098 OD1 ASN A 68 -10.082 -13.400 8.579 1.00 0.00 O ATOM 1099 ND2 ASN A 68 -10.346 -11.445 9.651 1.00 0.00 N ATOM 0 H ASN A 68 -10.869 -11.047 4.839 1.00 0.00 H new ATOM 0 HA ASN A 68 -9.082 -10.211 6.751 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -11.271 -10.593 7.483 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -11.386 -12.149 6.685 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -10.108 -11.856 10.554 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -10.578 -10.454 9.587 1.00 0.00 H new ATOM 1106 N GLU A 69 -7.278 -11.843 7.142 1.00 0.00 N ATOM 1107 CA GLU A 69 -6.178 -12.773 7.365 1.00 0.00 C ATOM 1108 C GLU A 69 -5.813 -13.504 6.076 1.00 0.00 C ATOM 1109 O GLU A 69 -5.453 -14.681 6.098 1.00 0.00 O ATOM 1110 CB GLU A 69 -6.548 -13.785 8.451 1.00 0.00 C ATOM 1111 CG GLU A 69 -6.773 -13.158 9.816 1.00 0.00 C ATOM 1112 CD GLU A 69 -7.275 -14.156 10.842 1.00 0.00 C ATOM 1113 OE1 GLU A 69 -7.919 -15.148 10.440 1.00 0.00 O ATOM 1114 OE2 GLU A 69 -7.023 -13.946 12.047 1.00 0.00 O ATOM 0 H GLU A 69 -7.089 -10.886 7.440 1.00 0.00 H new ATOM 0 HA GLU A 69 -5.312 -12.199 7.694 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -7.452 -14.314 8.150 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -5.755 -14.529 8.528 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -5.839 -12.719 10.168 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -7.493 -12.345 9.724 1.00 0.00 H new ATOM 1121 N SER A 70 -5.909 -12.798 4.954 1.00 0.00 N ATOM 1122 CA SER A 70 -5.593 -13.379 3.655 1.00 0.00 C ATOM 1123 C SER A 70 -4.086 -13.410 3.425 1.00 0.00 C ATOM 1124 O SER A 70 -3.306 -13.046 4.304 1.00 0.00 O ATOM 1125 CB SER A 70 -6.276 -12.587 2.539 1.00 0.00 C ATOM 1126 OG SER A 70 -5.684 -11.308 2.386 1.00 0.00 O ATOM 0 H SER A 70 -6.203 -11.822 4.919 1.00 0.00 H new ATOM 0 HA SER A 70 -5.965 -14.404 3.643 1.00 0.00 H new ATOM 0 HB2 SER A 70 -6.205 -13.139 1.601 1.00 0.00 H new ATOM 0 HB3 SER A 70 -7.337 -12.476 2.764 1.00 0.00 H new ATOM 0 HG SER A 70 -6.144 -10.663 2.963 1.00 0.00 H new ATOM 1132 N GLU A 71 -3.684 -13.846 2.235 1.00 0.00 N ATOM 1133 CA GLU A 71 -2.269 -13.925 1.889 1.00 0.00 C ATOM 1134 C GLU A 71 -1.954 -13.043 0.685 1.00 0.00 C ATOM 1135 O GLU A 71 -2.328 -13.358 -0.445 1.00 0.00 O ATOM 1136 CB GLU A 71 -1.874 -15.373 1.592 1.00 0.00 C ATOM 1137 CG GLU A 71 -0.399 -15.548 1.273 1.00 0.00 C ATOM 1138 CD GLU A 71 -0.061 -16.959 0.831 1.00 0.00 C ATOM 1139 OE1 GLU A 71 -0.448 -17.911 1.540 1.00 0.00 O ATOM 1140 OE2 GLU A 71 0.591 -17.111 -0.224 1.00 0.00 O ATOM 0 H GLU A 71 -4.317 -14.150 1.495 1.00 0.00 H new ATOM 0 HA GLU A 71 -1.692 -13.566 2.741 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -2.127 -15.993 2.452 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -2.465 -15.737 0.751 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -0.115 -14.847 0.488 1.00 0.00 H new ATOM 0 HG3 GLU A 71 0.192 -15.296 2.154 1.00 0.00 H new ATOM 1147 N LEU A 72 -1.263 -11.936 0.935 1.00 0.00 N ATOM 1148 CA LEU A 72 -0.897 -11.006 -0.127 1.00 0.00 C ATOM 1149 C LEU A 72 0.607 -10.749 -0.132 1.00 0.00 C ATOM 1150 O LEU A 72 1.199 -10.450 0.905 1.00 0.00 O ATOM 1151 CB LEU A 72 -1.651 -9.686 0.041 1.00 0.00 C ATOM 1152 CG LEU A 72 -1.732 -8.796 -1.200 1.00 0.00 C ATOM 1153 CD1 LEU A 72 -2.639 -9.422 -2.248 1.00 0.00 C ATOM 1154 CD2 LEU A 72 -2.224 -7.405 -0.828 1.00 0.00 C ATOM 0 H LEU A 72 -0.945 -11.661 1.864 1.00 0.00 H new ATOM 0 HA LEU A 72 -1.173 -11.456 -1.081 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.666 -9.910 0.370 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.175 -9.118 0.840 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.732 -8.704 -1.623 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.684 -8.774 -3.124 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.243 -10.396 -2.537 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -3.640 -9.545 -1.836 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.275 -6.786 -1.723 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.215 -7.477 -0.380 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -1.535 -6.954 -0.114 1.00 0.00 H new ATOM 1166 N PHE A 73 1.218 -10.865 -1.306 1.00 0.00 N ATOM 1167 CA PHE A 73 2.653 -10.644 -1.446 1.00 0.00 C ATOM 1168 C PHE A 73 3.433 -11.482 -0.438 1.00 0.00 C ATOM 1169 O PHE A 73 4.398 -11.012 0.162 1.00 0.00 O ATOM 1170 CB PHE A 73 2.983 -9.162 -1.257 1.00 0.00 C ATOM 1171 CG PHE A 73 2.818 -8.347 -2.508 1.00 0.00 C ATOM 1172 CD1 PHE A 73 1.835 -8.662 -3.432 1.00 0.00 C ATOM 1173 CD2 PHE A 73 3.647 -7.265 -2.760 1.00 0.00 C ATOM 1174 CE1 PHE A 73 1.681 -7.914 -4.584 1.00 0.00 C ATOM 1175 CE2 PHE A 73 3.497 -6.513 -3.910 1.00 0.00 C ATOM 1176 CZ PHE A 73 2.514 -6.839 -4.823 1.00 0.00 C ATOM 0 H PHE A 73 0.742 -11.111 -2.174 1.00 0.00 H new ATOM 0 HA PHE A 73 2.946 -10.949 -2.450 1.00 0.00 H new ATOM 0 HB2 PHE A 73 2.341 -8.751 -0.478 1.00 0.00 H new ATOM 0 HB3 PHE A 73 4.010 -9.069 -0.905 1.00 0.00 H new ATOM 0 HD1 PHE A 73 1.181 -9.502 -3.250 1.00 0.00 H new ATOM 0 HD2 PHE A 73 4.419 -7.007 -2.050 1.00 0.00 H new ATOM 0 HE1 PHE A 73 0.910 -8.170 -5.296 1.00 0.00 H new ATOM 0 HE2 PHE A 73 4.148 -5.671 -4.094 1.00 0.00 H new ATOM 0 HZ PHE A 73 2.397 -6.254 -5.723 1.00 0.00 H new ATOM 1186 N GLY A 74 3.006 -12.729 -0.258 1.00 0.00 N ATOM 1187 CA GLY A 74 3.675 -13.614 0.678 1.00 0.00 C ATOM 1188 C GLY A 74 3.578 -13.124 2.109 1.00 0.00 C ATOM 1189 O GLY A 74 4.462 -13.389 2.924 1.00 0.00 O ATOM 0 H GLY A 74 2.209 -13.141 -0.743 1.00 0.00 H new ATOM 0 HA2 GLY A 74 3.238 -14.610 0.608 1.00 0.00 H new ATOM 0 HA3 GLY A 74 4.725 -13.706 0.399 1.00 0.00 H new ATOM 1193 N ARG A 75 2.503 -12.406 2.416 1.00 0.00 N ATOM 1194 CA ARG A 75 2.296 -11.875 3.758 1.00 0.00 C ATOM 1195 C ARG A 75 0.834 -12.006 4.175 1.00 0.00 C ATOM 1196 O ARG A 75 -0.053 -12.153 3.333 1.00 0.00 O ATOM 1197 CB ARG A 75 2.726 -10.409 3.822 1.00 0.00 C ATOM 1198 CG ARG A 75 4.188 -10.187 3.470 1.00 0.00 C ATOM 1199 CD ARG A 75 4.418 -8.799 2.894 1.00 0.00 C ATOM 1200 NE ARG A 75 5.758 -8.298 3.189 1.00 0.00 N ATOM 1201 CZ ARG A 75 6.128 -7.849 4.384 1.00 0.00 C ATOM 1202 NH1 ARG A 75 5.263 -7.838 5.388 1.00 0.00 N ATOM 1203 NH2 ARG A 75 7.365 -7.410 4.575 1.00 0.00 N ATOM 0 H ARG A 75 1.762 -12.178 1.753 1.00 0.00 H new ATOM 0 HA ARG A 75 2.907 -12.456 4.449 1.00 0.00 H new ATOM 0 HB2 ARG A 75 2.105 -9.827 3.141 1.00 0.00 H new ATOM 0 HB3 ARG A 75 2.541 -10.028 4.827 1.00 0.00 H new ATOM 0 HG2 ARG A 75 4.802 -10.319 4.361 1.00 0.00 H new ATOM 0 HG3 ARG A 75 4.508 -10.939 2.749 1.00 0.00 H new ATOM 0 HD2 ARG A 75 4.271 -8.826 1.814 1.00 0.00 H new ATOM 0 HD3 ARG A 75 3.676 -8.111 3.300 1.00 0.00 H new ATOM 0 HE ARG A 75 6.447 -8.292 2.437 1.00 0.00 H new ATOM 0 HH11 ARG A 75 4.311 -8.175 5.245 1.00 0.00 H new ATOM 0 HH12 ARG A 75 5.549 -7.493 6.304 1.00 0.00 H new ATOM 0 HH21 ARG A 75 8.033 -7.417 3.804 1.00 0.00 H new ATOM 0 HH22 ARG A 75 7.648 -7.066 5.492 1.00 0.00 H new ATOM 1217 N THR A 76 0.589 -11.952 5.481 1.00 0.00 N ATOM 1218 CA THR A 76 -0.764 -12.066 6.010 1.00 0.00 C ATOM 1219 C THR A 76 -1.325 -10.700 6.385 1.00 0.00 C ATOM 1220 O THR A 76 -0.945 -10.121 7.404 1.00 0.00 O ATOM 1221 CB THR A 76 -0.809 -12.984 7.246 1.00 0.00 C ATOM 1222 OG1 THR A 76 -0.301 -14.281 6.912 1.00 0.00 O ATOM 1223 CG2 THR A 76 -2.229 -13.111 7.775 1.00 0.00 C ATOM 0 H THR A 76 1.311 -11.830 6.191 1.00 0.00 H new ATOM 0 HA THR A 76 -1.376 -12.502 5.220 1.00 0.00 H new ATOM 0 HB THR A 76 -0.187 -12.540 8.023 1.00 0.00 H new ATOM 0 HG1 THR A 76 -0.331 -14.858 7.704 1.00 0.00 H new ATOM 0 HG21 THR A 76 -2.235 -13.764 8.648 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.602 -12.126 8.056 1.00 0.00 H new ATOM 0 HG23 THR A 76 -2.869 -13.534 7.001 1.00 0.00 H new ATOM 1231 N ILE A 77 -2.230 -10.189 5.558 1.00 0.00 N ATOM 1232 CA ILE A 77 -2.844 -8.890 5.805 1.00 0.00 C ATOM 1233 C ILE A 77 -4.146 -9.037 6.586 1.00 0.00 C ATOM 1234 O ILE A 77 -4.814 -10.069 6.510 1.00 0.00 O ATOM 1235 CB ILE A 77 -3.129 -8.142 4.490 1.00 0.00 C ATOM 1236 CG1 ILE A 77 -4.048 -8.975 3.593 1.00 0.00 C ATOM 1237 CG2 ILE A 77 -1.827 -7.821 3.771 1.00 0.00 C ATOM 1238 CD1 ILE A 77 -4.750 -8.162 2.528 1.00 0.00 C ATOM 0 H ILE A 77 -2.555 -10.655 4.711 1.00 0.00 H new ATOM 0 HA ILE A 77 -2.132 -8.312 6.395 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.633 -7.204 4.724 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -3.462 -9.759 3.113 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -4.796 -9.470 4.212 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -2.045 -7.292 2.843 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.204 -7.194 4.409 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.298 -8.747 3.545 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -5.384 -8.816 1.930 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -5.364 -7.395 3.001 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -4.009 -7.688 1.885 1.00 0.00 H new ATOM 1250 N ARG A 78 -4.502 -7.998 7.333 1.00 0.00 N ATOM 1251 CA ARG A 78 -5.725 -8.011 8.127 1.00 0.00 C ATOM 1252 C ARG A 78 -6.758 -7.049 7.550 1.00 0.00 C ATOM 1253 O ARG A 78 -6.416 -5.966 7.073 1.00 0.00 O ATOM 1254 CB ARG A 78 -5.420 -7.637 9.579 1.00 0.00 C ATOM 1255 CG ARG A 78 -6.611 -7.791 10.511 1.00 0.00 C ATOM 1256 CD ARG A 78 -6.917 -9.255 10.786 1.00 0.00 C ATOM 1257 NE ARG A 78 -6.011 -9.827 11.778 1.00 0.00 N ATOM 1258 CZ ARG A 78 -6.192 -9.716 13.089 1.00 0.00 C ATOM 1259 NH1 ARG A 78 -7.240 -9.058 13.563 1.00 0.00 N ATOM 1260 NH2 ARG A 78 -5.323 -10.264 13.929 1.00 0.00 N ATOM 0 H ARG A 78 -3.961 -7.136 7.405 1.00 0.00 H new ATOM 0 HA ARG A 78 -6.137 -9.020 8.097 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -4.603 -8.260 9.942 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -5.073 -6.604 9.614 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -6.408 -7.278 11.451 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -7.485 -7.312 10.069 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -7.945 -9.351 11.136 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -6.842 -9.821 9.858 1.00 0.00 H new ATOM 0 HE ARG A 78 -5.194 -10.340 11.446 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -7.910 -8.635 12.921 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -7.377 -8.974 14.570 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -4.515 -10.771 13.568 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -5.463 -10.178 14.936 1.00 0.00 H new ATOM 1274 N VAL A 79 -8.025 -7.451 7.595 1.00 0.00 N ATOM 1275 CA VAL A 79 -9.108 -6.625 7.077 1.00 0.00 C ATOM 1276 C VAL A 79 -10.231 -6.487 8.099 1.00 0.00 C ATOM 1277 O VAL A 79 -10.653 -7.468 8.709 1.00 0.00 O ATOM 1278 CB VAL A 79 -9.685 -7.208 5.773 1.00 0.00 C ATOM 1279 CG1 VAL A 79 -10.630 -6.214 5.116 1.00 0.00 C ATOM 1280 CG2 VAL A 79 -8.563 -7.598 4.823 1.00 0.00 C ATOM 0 H VAL A 79 -8.326 -8.344 7.985 1.00 0.00 H new ATOM 0 HA VAL A 79 -8.685 -5.642 6.871 1.00 0.00 H new ATOM 0 HB VAL A 79 -10.253 -8.106 6.016 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -11.028 -6.643 4.196 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -11.451 -5.989 5.796 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -10.089 -5.297 4.884 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -8.988 -8.008 3.907 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -7.966 -6.718 4.584 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -7.930 -8.348 5.297 1.00 0.00 H new ATOM 1290 N ASN A 80 -10.711 -5.261 8.280 1.00 0.00 N ATOM 1291 CA ASN A 80 -11.786 -4.994 9.229 1.00 0.00 C ATOM 1292 C ASN A 80 -12.376 -3.604 9.007 1.00 0.00 C ATOM 1293 O ASN A 80 -11.758 -2.751 8.368 1.00 0.00 O ATOM 1294 CB ASN A 80 -11.270 -5.117 10.664 1.00 0.00 C ATOM 1295 CG ASN A 80 -12.383 -5.392 11.657 1.00 0.00 C ATOM 1296 OD1 ASN A 80 -13.561 -5.404 11.299 1.00 0.00 O ATOM 1297 ND2 ASN A 80 -12.013 -5.615 12.913 1.00 0.00 N ATOM 0 H ASN A 80 -10.373 -4.437 7.782 1.00 0.00 H new ATOM 0 HA ASN A 80 -12.571 -5.733 9.067 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -10.535 -5.920 10.715 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -10.757 -4.197 10.943 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -12.717 -5.806 13.626 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -11.025 -5.595 13.165 1.00 0.00 H new ATOM 1304 N LEU A 81 -13.573 -3.383 9.538 1.00 0.00 N ATOM 1305 CA LEU A 81 -14.246 -2.097 9.399 1.00 0.00 C ATOM 1306 C LEU A 81 -13.346 -0.957 9.867 1.00 0.00 C ATOM 1307 O LEU A 81 -12.707 -1.048 10.915 1.00 0.00 O ATOM 1308 CB LEU A 81 -15.550 -2.092 10.198 1.00 0.00 C ATOM 1309 CG LEU A 81 -16.734 -2.817 9.556 1.00 0.00 C ATOM 1310 CD1 LEU A 81 -17.919 -2.852 10.508 1.00 0.00 C ATOM 1311 CD2 LEU A 81 -17.121 -2.147 8.245 1.00 0.00 C ATOM 0 H LEU A 81 -14.098 -4.078 10.069 1.00 0.00 H new ATOM 0 HA LEU A 81 -14.473 -1.947 8.344 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -15.358 -2.543 11.171 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -15.838 -1.056 10.378 1.00 0.00 H new ATOM 0 HG LEU A 81 -16.435 -3.843 9.343 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -18.752 -3.372 10.034 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -17.637 -3.376 11.421 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -18.219 -1.833 10.753 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -17.965 -2.675 7.802 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -17.401 -1.111 8.435 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -16.275 -2.174 7.559 1.00 0.00 H new ATOM 1323 N ALA A 82 -13.303 0.115 9.083 1.00 0.00 N ATOM 1324 CA ALA A 82 -12.485 1.274 9.419 1.00 0.00 C ATOM 1325 C ALA A 82 -12.791 1.772 10.828 1.00 0.00 C ATOM 1326 O ALA A 82 -13.951 1.975 11.188 1.00 0.00 O ATOM 1327 CB ALA A 82 -12.704 2.387 8.405 1.00 0.00 C ATOM 0 H ALA A 82 -13.825 0.205 8.211 1.00 0.00 H new ATOM 0 HA ALA A 82 -11.439 0.970 9.388 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -12.087 3.246 8.669 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -12.428 2.033 7.411 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -13.754 2.680 8.408 1.00 0.00 H new