USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 486 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 379 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 380 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 361 LYS NZ :NH3+ 171:sc= 0.137 (180deg=0) USER MOD Set 2.2: A 362 TYR OH : rot 180:sc= 0.134 USER MOD Single : A 358 THR OG1 : rot 87:sc= 0.736 USER MOD Single : A 360 THR OG1 : rot 98:sc= 0.981 USER MOD Single : A 371 THR OG1 : rot 86:sc= 0.236 USER MOD Single : A 386 TYR OH : rot 180:sc= 0 USER MOD Single : A 389 MET CE :methyl -157:sc= -16.5! (180deg=-17.8!) USER MOD Single : A 390 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 402 THR OG1 : rot 180:sc= 0 USER MOD Single : A 411 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 412 ASN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 416 THR OG1 : rot 105:sc= 1.03 USER MOD ----------------------------------------------------------------- ATOM 43 N ALA A 354 -12.012 3.673 -17.912 1.00 0.00 N ATOM 44 CA ALA A 354 -11.931 2.229 -17.553 1.00 0.00 C ATOM 45 C ALA A 354 -10.602 1.950 -16.849 1.00 0.00 C ATOM 46 O ALA A 354 -10.524 1.136 -15.949 1.00 0.00 O ATOM 47 CB ALA A 354 -12.021 1.383 -18.825 1.00 0.00 C ATOM 0 HA ALA A 354 -12.755 1.974 -16.886 1.00 0.00 H new ATOM 0 HB1 ALA A 354 -11.962 0.326 -18.564 1.00 0.00 H new ATOM 0 HB2 ALA A 354 -12.968 1.580 -19.327 1.00 0.00 H new ATOM 0 HB3 ALA A 354 -11.197 1.639 -19.491 1.00 0.00 H new ATOM 53 N ALA A 355 -9.555 2.615 -17.253 1.00 0.00 N ATOM 54 CA ALA A 355 -8.230 2.385 -16.610 1.00 0.00 C ATOM 55 C ALA A 355 -8.281 2.827 -15.148 1.00 0.00 C ATOM 56 O ALA A 355 -7.654 2.239 -14.288 1.00 0.00 O ATOM 57 CB ALA A 355 -7.160 3.188 -17.352 1.00 0.00 C ATOM 0 H ALA A 355 -9.559 3.308 -18.001 1.00 0.00 H new ATOM 0 HA ALA A 355 -7.986 1.324 -16.654 1.00 0.00 H new ATOM 0 HB1 ALA A 355 -6.190 3.021 -16.884 1.00 0.00 H new ATOM 0 HB2 ALA A 355 -7.120 2.867 -18.393 1.00 0.00 H new ATOM 0 HB3 ALA A 355 -7.406 4.249 -17.309 1.00 0.00 H new ATOM 63 N ILE A 356 -9.025 3.858 -14.856 1.00 0.00 N ATOM 64 CA ILE A 356 -9.118 4.335 -13.447 1.00 0.00 C ATOM 65 C ILE A 356 -9.883 3.310 -12.613 1.00 0.00 C ATOM 66 O ILE A 356 -9.499 2.980 -11.509 1.00 0.00 O ATOM 67 CB ILE A 356 -9.854 5.677 -13.411 1.00 0.00 C ATOM 68 CG1 ILE A 356 -9.150 6.670 -14.337 1.00 0.00 C ATOM 69 CG2 ILE A 356 -9.851 6.223 -11.982 1.00 0.00 C ATOM 70 CD1 ILE A 356 -7.724 6.904 -13.838 1.00 0.00 C ATOM 0 H ILE A 356 -9.573 4.391 -15.532 1.00 0.00 H new ATOM 0 HA ILE A 356 -8.116 4.460 -13.037 1.00 0.00 H new ATOM 0 HB ILE A 356 -10.882 5.536 -13.744 1.00 0.00 H new ATOM 0 HG12 ILE A 356 -9.132 6.284 -15.356 1.00 0.00 H new ATOM 0 HG13 ILE A 356 -9.698 7.612 -14.362 1.00 0.00 H new ATOM 0 HG21 ILE A 356 -10.375 7.178 -11.956 1.00 0.00 H new ATOM 0 HG22 ILE A 356 -10.353 5.516 -11.321 1.00 0.00 H new ATOM 0 HG23 ILE A 356 -8.823 6.364 -11.649 1.00 0.00 H new ATOM 0 HD11 ILE A 356 -7.220 7.611 -14.496 1.00 0.00 H new ATOM 0 HD12 ILE A 356 -7.754 7.308 -12.826 1.00 0.00 H new ATOM 0 HD13 ILE A 356 -7.180 5.960 -13.835 1.00 0.00 H new ATOM 82 N ASP A 357 -10.962 2.801 -13.134 1.00 0.00 N ATOM 83 CA ASP A 357 -11.753 1.793 -12.376 1.00 0.00 C ATOM 84 C ASP A 357 -11.014 0.455 -12.400 1.00 0.00 C ATOM 85 O ASP A 357 -10.943 -0.242 -11.408 1.00 0.00 O ATOM 86 CB ASP A 357 -13.130 1.633 -13.020 1.00 0.00 C ATOM 87 CG ASP A 357 -13.927 2.928 -12.850 1.00 0.00 C ATOM 88 OD1 ASP A 357 -13.518 3.751 -12.048 1.00 0.00 O ATOM 89 OD2 ASP A 357 -14.932 3.076 -13.525 1.00 0.00 O ATOM 0 H ASP A 357 -11.332 3.040 -14.054 1.00 0.00 H new ATOM 0 HA ASP A 357 -11.877 2.123 -11.345 1.00 0.00 H new ATOM 0 HB2 ASP A 357 -13.023 1.396 -14.078 1.00 0.00 H new ATOM 0 HB3 ASP A 357 -13.664 0.802 -12.560 1.00 0.00 H new ATOM 94 N THR A 358 -10.454 0.095 -13.524 1.00 0.00 N ATOM 95 CA THR A 358 -9.714 -1.195 -13.597 1.00 0.00 C ATOM 96 C THR A 358 -8.702 -1.242 -12.455 1.00 0.00 C ATOM 97 O THR A 358 -8.752 -2.102 -11.599 1.00 0.00 O ATOM 98 CB THR A 358 -8.984 -1.292 -14.938 1.00 0.00 C ATOM 99 OG1 THR A 358 -9.919 -1.129 -15.996 1.00 0.00 O ATOM 100 CG2 THR A 358 -8.309 -2.658 -15.057 1.00 0.00 C ATOM 0 H THR A 358 -10.477 0.635 -14.389 1.00 0.00 H new ATOM 0 HA THR A 358 -10.409 -2.030 -13.511 1.00 0.00 H new ATOM 0 HB THR A 358 -8.227 -0.510 -14.997 1.00 0.00 H new ATOM 0 HG1 THR A 358 -10.022 -0.176 -16.198 1.00 0.00 H new ATOM 0 HG21 THR A 358 -7.790 -2.725 -16.013 1.00 0.00 H new ATOM 0 HG22 THR A 358 -7.592 -2.782 -14.245 1.00 0.00 H new ATOM 0 HG23 THR A 358 -9.063 -3.443 -14.998 1.00 0.00 H new ATOM 108 N PHE A 359 -7.795 -0.309 -12.430 1.00 0.00 N ATOM 109 CA PHE A 359 -6.786 -0.280 -11.337 1.00 0.00 C ATOM 110 C PHE A 359 -7.514 -0.335 -9.994 1.00 0.00 C ATOM 111 O PHE A 359 -7.143 -1.073 -9.103 1.00 0.00 O ATOM 112 CB PHE A 359 -5.980 1.017 -11.421 1.00 0.00 C ATOM 113 CG PHE A 359 -5.150 1.034 -12.684 1.00 0.00 C ATOM 114 CD1 PHE A 359 -5.055 -0.113 -13.482 1.00 0.00 C ATOM 115 CD2 PHE A 359 -4.475 2.202 -13.055 1.00 0.00 C ATOM 116 CE1 PHE A 359 -4.285 -0.089 -14.652 1.00 0.00 C ATOM 117 CE2 PHE A 359 -3.705 2.226 -14.223 1.00 0.00 C ATOM 118 CZ PHE A 359 -3.611 1.080 -15.022 1.00 0.00 C ATOM 0 H PHE A 359 -7.708 0.437 -13.121 1.00 0.00 H new ATOM 0 HA PHE A 359 -6.112 -1.131 -11.433 1.00 0.00 H new ATOM 0 HB2 PHE A 359 -6.654 1.874 -11.408 1.00 0.00 H new ATOM 0 HB3 PHE A 359 -5.332 1.108 -10.550 1.00 0.00 H new ATOM 0 HD1 PHE A 359 -5.575 -1.015 -13.196 1.00 0.00 H new ATOM 0 HD2 PHE A 359 -4.548 3.086 -12.439 1.00 0.00 H new ATOM 0 HE1 PHE A 359 -4.212 -0.973 -15.268 1.00 0.00 H new ATOM 0 HE2 PHE A 359 -3.184 3.128 -14.508 1.00 0.00 H new ATOM 0 HZ PHE A 359 -3.018 1.098 -15.924 1.00 0.00 H new ATOM 128 N THR A 360 -8.557 0.437 -9.850 1.00 0.00 N ATOM 129 CA THR A 360 -9.319 0.429 -8.572 1.00 0.00 C ATOM 130 C THR A 360 -9.944 -0.950 -8.369 1.00 0.00 C ATOM 131 O THR A 360 -10.190 -1.376 -7.258 1.00 0.00 O ATOM 132 CB THR A 360 -10.426 1.484 -8.626 1.00 0.00 C ATOM 133 OG1 THR A 360 -9.898 2.701 -9.133 1.00 0.00 O ATOM 134 CG2 THR A 360 -10.980 1.712 -7.219 1.00 0.00 C ATOM 0 H THR A 360 -8.913 1.073 -10.564 1.00 0.00 H new ATOM 0 HA THR A 360 -8.645 0.655 -7.745 1.00 0.00 H new ATOM 0 HB THR A 360 -11.227 1.138 -9.280 1.00 0.00 H new ATOM 0 HG1 THR A 360 -10.107 2.776 -10.088 1.00 0.00 H new ATOM 0 HG21 THR A 360 -11.769 2.463 -7.256 1.00 0.00 H new ATOM 0 HG22 THR A 360 -11.387 0.778 -6.832 1.00 0.00 H new ATOM 0 HG23 THR A 360 -10.180 2.058 -6.565 1.00 0.00 H new ATOM 142 N LYS A 361 -10.203 -1.653 -9.437 1.00 0.00 N ATOM 143 CA LYS A 361 -10.809 -3.006 -9.306 1.00 0.00 C ATOM 144 C LYS A 361 -9.706 -4.032 -9.041 1.00 0.00 C ATOM 145 O LYS A 361 -9.915 -5.025 -8.371 1.00 0.00 O ATOM 146 CB LYS A 361 -11.541 -3.369 -10.599 1.00 0.00 C ATOM 147 CG LYS A 361 -11.961 -4.839 -10.545 1.00 0.00 C ATOM 148 CD LYS A 361 -12.512 -5.265 -11.909 1.00 0.00 C ATOM 149 CE LYS A 361 -13.285 -6.577 -11.759 1.00 0.00 C ATOM 150 NZ LYS A 361 -13.123 -7.395 -12.993 1.00 0.00 N ATOM 0 H LYS A 361 -10.021 -1.349 -10.393 1.00 0.00 H new ATOM 0 HA LYS A 361 -11.517 -3.007 -8.477 1.00 0.00 H new ATOM 0 HB2 LYS A 361 -12.417 -2.733 -10.726 1.00 0.00 H new ATOM 0 HB3 LYS A 361 -10.894 -3.195 -11.458 1.00 0.00 H new ATOM 0 HG2 LYS A 361 -11.108 -5.462 -10.275 1.00 0.00 H new ATOM 0 HG3 LYS A 361 -12.718 -4.984 -9.774 1.00 0.00 H new ATOM 0 HD2 LYS A 361 -13.165 -4.489 -12.308 1.00 0.00 H new ATOM 0 HD3 LYS A 361 -11.695 -5.391 -12.620 1.00 0.00 H new ATOM 0 HE2 LYS A 361 -12.919 -7.130 -10.893 1.00 0.00 H new ATOM 0 HE3 LYS A 361 -14.341 -6.371 -11.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 361 -13.517 -8.344 -12.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 361 -13.626 -6.938 -13.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 361 -12.113 -7.474 -13.227 1.00 0.00 H new ATOM 164 N TYR A 362 -8.534 -3.805 -9.570 1.00 0.00 N ATOM 165 CA TYR A 362 -7.422 -4.772 -9.358 1.00 0.00 C ATOM 166 C TYR A 362 -6.425 -4.210 -8.341 1.00 0.00 C ATOM 167 O TYR A 362 -6.225 -4.769 -7.281 1.00 0.00 O ATOM 168 CB TYR A 362 -6.711 -5.016 -10.689 1.00 0.00 C ATOM 169 CG TYR A 362 -7.625 -5.798 -11.602 1.00 0.00 C ATOM 170 CD1 TYR A 362 -8.561 -5.124 -12.396 1.00 0.00 C ATOM 171 CD2 TYR A 362 -7.540 -7.194 -11.653 1.00 0.00 C ATOM 172 CE1 TYR A 362 -9.411 -5.846 -13.241 1.00 0.00 C ATOM 173 CE2 TYR A 362 -8.391 -7.916 -12.496 1.00 0.00 C ATOM 174 CZ TYR A 362 -9.327 -7.242 -13.291 1.00 0.00 C ATOM 175 OH TYR A 362 -10.166 -7.955 -14.124 1.00 0.00 O ATOM 0 H TYR A 362 -8.300 -2.992 -10.139 1.00 0.00 H new ATOM 0 HA TYR A 362 -7.826 -5.710 -8.976 1.00 0.00 H new ATOM 0 HB2 TYR A 362 -6.441 -4.066 -11.151 1.00 0.00 H new ATOM 0 HB3 TYR A 362 -5.784 -5.565 -10.525 1.00 0.00 H new ATOM 0 HD1 TYR A 362 -8.627 -4.047 -12.356 1.00 0.00 H new ATOM 0 HD2 TYR A 362 -6.817 -7.714 -11.041 1.00 0.00 H new ATOM 0 HE1 TYR A 362 -10.132 -5.326 -13.855 1.00 0.00 H new ATOM 0 HE2 TYR A 362 -8.327 -8.993 -12.534 1.00 0.00 H new ATOM 0 HH TYR A 362 -9.976 -8.913 -14.038 1.00 0.00 H new ATOM 185 N LEU A 363 -5.793 -3.113 -8.654 1.00 0.00 N ATOM 186 CA LEU A 363 -4.807 -2.526 -7.704 1.00 0.00 C ATOM 187 C LEU A 363 -5.464 -2.319 -6.337 1.00 0.00 C ATOM 188 O LEU A 363 -4.796 -2.146 -5.338 1.00 0.00 O ATOM 189 CB LEU A 363 -4.316 -1.173 -8.235 1.00 0.00 C ATOM 190 CG LEU A 363 -3.236 -1.377 -9.307 1.00 0.00 C ATOM 191 CD1 LEU A 363 -2.383 -2.603 -8.971 1.00 0.00 C ATOM 192 CD2 LEU A 363 -3.900 -1.577 -10.670 1.00 0.00 C ATOM 0 H LEU A 363 -5.916 -2.598 -9.526 1.00 0.00 H new ATOM 0 HA LEU A 363 -3.963 -3.208 -7.605 1.00 0.00 H new ATOM 0 HB2 LEU A 363 -5.153 -0.615 -8.655 1.00 0.00 H new ATOM 0 HB3 LEU A 363 -3.915 -0.577 -7.415 1.00 0.00 H new ATOM 0 HG LEU A 363 -2.595 -0.496 -9.336 1.00 0.00 H new ATOM 0 HD11 LEU A 363 -1.621 -2.737 -9.738 1.00 0.00 H new ATOM 0 HD12 LEU A 363 -1.902 -2.458 -8.004 1.00 0.00 H new ATOM 0 HD13 LEU A 363 -3.018 -3.488 -8.931 1.00 0.00 H new ATOM 0 HD21 LEU A 363 -3.133 -1.722 -11.431 1.00 0.00 H new ATOM 0 HD22 LEU A 363 -4.546 -2.454 -10.635 1.00 0.00 H new ATOM 0 HD23 LEU A 363 -4.495 -0.698 -10.917 1.00 0.00 H new ATOM 204 N ASP A 364 -6.768 -2.331 -6.280 1.00 0.00 N ATOM 205 CA ASP A 364 -7.450 -2.126 -4.972 1.00 0.00 C ATOM 206 C ASP A 364 -7.052 -0.758 -4.421 1.00 0.00 C ATOM 207 O ASP A 364 -6.665 -0.621 -3.278 1.00 0.00 O ATOM 208 CB ASP A 364 -7.018 -3.218 -3.991 1.00 0.00 C ATOM 209 CG ASP A 364 -7.524 -4.575 -4.482 1.00 0.00 C ATOM 210 OD1 ASP A 364 -8.381 -4.588 -5.352 1.00 0.00 O ATOM 211 OD2 ASP A 364 -7.047 -5.580 -3.981 1.00 0.00 O ATOM 0 H ASP A 364 -7.387 -2.473 -7.078 1.00 0.00 H new ATOM 0 HA ASP A 364 -8.531 -2.174 -5.105 1.00 0.00 H new ATOM 0 HB2 ASP A 364 -5.932 -3.233 -3.903 1.00 0.00 H new ATOM 0 HB3 ASP A 364 -7.415 -3.007 -2.998 1.00 0.00 H new ATOM 216 N ILE A 365 -7.133 0.255 -5.239 1.00 0.00 N ATOM 217 CA ILE A 365 -6.750 1.618 -4.779 1.00 0.00 C ATOM 218 C ILE A 365 -7.937 2.569 -4.928 1.00 0.00 C ATOM 219 O ILE A 365 -9.029 2.169 -5.280 1.00 0.00 O ATOM 220 CB ILE A 365 -5.584 2.124 -5.629 1.00 0.00 C ATOM 221 CG1 ILE A 365 -5.804 1.715 -7.087 1.00 0.00 C ATOM 222 CG2 ILE A 365 -4.280 1.510 -5.118 1.00 0.00 C ATOM 223 CD1 ILE A 365 -5.075 2.694 -8.007 1.00 0.00 C ATOM 0 H ILE A 365 -7.448 0.197 -6.207 1.00 0.00 H new ATOM 0 HA ILE A 365 -6.454 1.577 -3.731 1.00 0.00 H new ATOM 0 HB ILE A 365 -5.526 3.210 -5.561 1.00 0.00 H new ATOM 0 HG12 ILE A 365 -5.436 0.702 -7.251 1.00 0.00 H new ATOM 0 HG13 ILE A 365 -6.869 1.708 -7.317 1.00 0.00 H new ATOM 0 HG21 ILE A 365 -3.447 1.869 -5.723 1.00 0.00 H new ATOM 0 HG22 ILE A 365 -4.125 1.799 -4.078 1.00 0.00 H new ATOM 0 HG23 ILE A 365 -4.337 0.424 -5.188 1.00 0.00 H new ATOM 0 HD11 ILE A 365 -5.232 2.403 -9.046 1.00 0.00 H new ATOM 0 HD12 ILE A 365 -5.464 3.700 -7.850 1.00 0.00 H new ATOM 0 HD13 ILE A 365 -4.008 2.679 -7.783 1.00 0.00 H new ATOM 235 N ASP A 366 -7.728 3.831 -4.668 1.00 0.00 N ATOM 236 CA ASP A 366 -8.840 4.813 -4.798 1.00 0.00 C ATOM 237 C ASP A 366 -8.860 5.363 -6.225 1.00 0.00 C ATOM 238 O ASP A 366 -7.908 5.224 -6.967 1.00 0.00 O ATOM 239 CB ASP A 366 -8.631 5.960 -3.806 1.00 0.00 C ATOM 240 CG ASP A 366 -8.342 5.387 -2.416 1.00 0.00 C ATOM 241 OD1 ASP A 366 -8.749 4.265 -2.163 1.00 0.00 O ATOM 242 OD2 ASP A 366 -7.720 6.080 -1.629 1.00 0.00 O ATOM 0 H ASP A 366 -6.835 4.224 -4.371 1.00 0.00 H new ATOM 0 HA ASP A 366 -9.789 4.323 -4.582 1.00 0.00 H new ATOM 0 HB2 ASP A 366 -7.803 6.589 -4.131 1.00 0.00 H new ATOM 0 HB3 ASP A 366 -9.518 6.593 -3.773 1.00 0.00 H new ATOM 247 N GLU A 367 -9.942 5.974 -6.618 1.00 0.00 N ATOM 248 CA GLU A 367 -10.029 6.518 -8.004 1.00 0.00 C ATOM 249 C GLU A 367 -9.022 7.654 -8.193 1.00 0.00 C ATOM 250 O GLU A 367 -8.500 7.857 -9.272 1.00 0.00 O ATOM 251 CB GLU A 367 -11.443 7.043 -8.256 1.00 0.00 C ATOM 252 CG GLU A 367 -11.599 7.386 -9.738 1.00 0.00 C ATOM 253 CD GLU A 367 -12.940 8.088 -9.962 1.00 0.00 C ATOM 254 OE1 GLU A 367 -13.671 8.246 -8.998 1.00 0.00 O ATOM 255 OE2 GLU A 367 -13.212 8.456 -11.092 1.00 0.00 O ATOM 0 H GLU A 367 -10.770 6.121 -6.041 1.00 0.00 H new ATOM 0 HA GLU A 367 -9.799 5.722 -8.712 1.00 0.00 H new ATOM 0 HB2 GLU A 367 -12.179 6.293 -7.965 1.00 0.00 H new ATOM 0 HB3 GLU A 367 -11.629 7.926 -7.645 1.00 0.00 H new ATOM 0 HG2 GLU A 367 -10.781 8.030 -10.061 1.00 0.00 H new ATOM 0 HG3 GLU A 367 -11.547 6.479 -10.340 1.00 0.00 H new ATOM 262 N ASP A 368 -8.747 8.405 -7.164 1.00 0.00 N ATOM 263 CA ASP A 368 -7.778 9.530 -7.305 1.00 0.00 C ATOM 264 C ASP A 368 -6.353 8.979 -7.399 1.00 0.00 C ATOM 265 O ASP A 368 -5.475 9.599 -7.967 1.00 0.00 O ATOM 266 CB ASP A 368 -7.887 10.451 -6.089 1.00 0.00 C ATOM 267 CG ASP A 368 -9.263 11.117 -6.072 1.00 0.00 C ATOM 268 OD1 ASP A 368 -9.941 11.061 -7.086 1.00 0.00 O ATOM 269 OD2 ASP A 368 -9.618 11.672 -5.045 1.00 0.00 O ATOM 0 H ASP A 368 -9.149 8.290 -6.234 1.00 0.00 H new ATOM 0 HA ASP A 368 -8.008 10.090 -8.211 1.00 0.00 H new ATOM 0 HB2 ASP A 368 -7.737 9.880 -5.173 1.00 0.00 H new ATOM 0 HB3 ASP A 368 -7.105 11.210 -6.123 1.00 0.00 H new ATOM 274 N PHE A 369 -6.116 7.821 -6.851 1.00 0.00 N ATOM 275 CA PHE A 369 -4.747 7.233 -6.913 1.00 0.00 C ATOM 276 C PHE A 369 -4.546 6.563 -8.273 1.00 0.00 C ATOM 277 O PHE A 369 -3.576 6.807 -8.961 1.00 0.00 O ATOM 278 CB PHE A 369 -4.589 6.195 -5.801 1.00 0.00 C ATOM 279 CG PHE A 369 -3.168 5.680 -5.780 1.00 0.00 C ATOM 280 CD1 PHE A 369 -2.766 4.693 -6.688 1.00 0.00 C ATOM 281 CD2 PHE A 369 -2.253 6.187 -4.849 1.00 0.00 C ATOM 282 CE1 PHE A 369 -1.451 4.213 -6.665 1.00 0.00 C ATOM 283 CE2 PHE A 369 -0.938 5.708 -4.826 1.00 0.00 C ATOM 284 CZ PHE A 369 -0.537 4.721 -5.734 1.00 0.00 C ATOM 0 H PHE A 369 -6.810 7.255 -6.363 1.00 0.00 H new ATOM 0 HA PHE A 369 -4.003 8.019 -6.782 1.00 0.00 H new ATOM 0 HB2 PHE A 369 -4.839 6.640 -4.838 1.00 0.00 H new ATOM 0 HB3 PHE A 369 -5.283 5.369 -5.960 1.00 0.00 H new ATOM 0 HD1 PHE A 369 -3.471 4.302 -7.407 1.00 0.00 H new ATOM 0 HD2 PHE A 369 -2.562 6.948 -4.148 1.00 0.00 H new ATOM 0 HE1 PHE A 369 -1.142 3.451 -7.365 1.00 0.00 H new ATOM 0 HE2 PHE A 369 -0.233 6.100 -4.108 1.00 0.00 H new ATOM 0 HZ PHE A 369 0.478 4.351 -5.716 1.00 0.00 H new ATOM 294 N ALA A 370 -5.458 5.718 -8.666 1.00 0.00 N ATOM 295 CA ALA A 370 -5.324 5.031 -9.980 1.00 0.00 C ATOM 296 C ALA A 370 -4.979 6.055 -11.065 1.00 0.00 C ATOM 297 O ALA A 370 -4.079 5.858 -11.856 1.00 0.00 O ATOM 298 CB ALA A 370 -6.647 4.347 -10.330 1.00 0.00 C ATOM 0 H ALA A 370 -6.292 5.473 -8.132 1.00 0.00 H new ATOM 0 HA ALA A 370 -4.530 4.287 -9.920 1.00 0.00 H new ATOM 0 HB1 ALA A 370 -6.553 3.843 -11.292 1.00 0.00 H new ATOM 0 HB2 ALA A 370 -6.894 3.616 -9.560 1.00 0.00 H new ATOM 0 HB3 ALA A 370 -7.439 5.094 -10.388 1.00 0.00 H new ATOM 304 N THR A 371 -5.698 7.143 -11.116 1.00 0.00 N ATOM 305 CA THR A 371 -5.420 8.171 -12.159 1.00 0.00 C ATOM 306 C THR A 371 -3.925 8.496 -12.193 1.00 0.00 C ATOM 307 O THR A 371 -3.343 8.645 -13.245 1.00 0.00 O ATOM 308 CB THR A 371 -6.210 9.446 -11.857 1.00 0.00 C ATOM 309 OG1 THR A 371 -7.499 9.100 -11.373 1.00 0.00 O ATOM 310 CG2 THR A 371 -6.346 10.273 -13.136 1.00 0.00 C ATOM 0 H THR A 371 -6.465 7.364 -10.481 1.00 0.00 H new ATOM 0 HA THR A 371 -5.724 7.776 -13.129 1.00 0.00 H new ATOM 0 HB THR A 371 -5.686 10.031 -11.101 1.00 0.00 H new ATOM 0 HG1 THR A 371 -7.456 8.952 -10.405 1.00 0.00 H new ATOM 0 HG21 THR A 371 -6.909 11.182 -12.923 1.00 0.00 H new ATOM 0 HG22 THR A 371 -5.355 10.537 -13.505 1.00 0.00 H new ATOM 0 HG23 THR A 371 -6.871 9.690 -13.892 1.00 0.00 H new ATOM 318 N VAL A 372 -3.294 8.618 -11.057 1.00 0.00 N ATOM 319 CA VAL A 372 -1.838 8.943 -11.054 1.00 0.00 C ATOM 320 C VAL A 372 -1.069 7.869 -11.828 1.00 0.00 C ATOM 321 O VAL A 372 -0.051 8.138 -12.432 1.00 0.00 O ATOM 322 CB VAL A 372 -1.327 9.016 -9.612 1.00 0.00 C ATOM 323 CG1 VAL A 372 -2.333 9.791 -8.762 1.00 0.00 C ATOM 324 CG2 VAL A 372 -1.163 7.604 -9.046 1.00 0.00 C ATOM 0 H VAL A 372 -3.719 8.508 -10.137 1.00 0.00 H new ATOM 0 HA VAL A 372 -1.683 9.909 -11.535 1.00 0.00 H new ATOM 0 HB VAL A 372 -0.362 9.522 -9.595 1.00 0.00 H new ATOM 0 HG11 VAL A 372 -1.975 9.846 -7.734 1.00 0.00 H new ATOM 0 HG12 VAL A 372 -2.447 10.799 -9.161 1.00 0.00 H new ATOM 0 HG13 VAL A 372 -3.296 9.281 -8.783 1.00 0.00 H new ATOM 0 HG21 VAL A 372 -0.799 7.663 -8.020 1.00 0.00 H new ATOM 0 HG22 VAL A 372 -2.125 7.092 -9.061 1.00 0.00 H new ATOM 0 HG23 VAL A 372 -0.448 7.049 -9.653 1.00 0.00 H new ATOM 334 N LEU A 373 -1.553 6.656 -11.827 1.00 0.00 N ATOM 335 CA LEU A 373 -0.851 5.578 -12.575 1.00 0.00 C ATOM 336 C LEU A 373 -1.183 5.715 -14.061 1.00 0.00 C ATOM 337 O LEU A 373 -0.320 5.639 -14.912 1.00 0.00 O ATOM 338 CB LEU A 373 -1.319 4.210 -12.066 1.00 0.00 C ATOM 339 CG LEU A 373 -0.947 4.044 -10.586 1.00 0.00 C ATOM 340 CD1 LEU A 373 0.310 4.859 -10.270 1.00 0.00 C ATOM 341 CD2 LEU A 373 -2.104 4.531 -9.712 1.00 0.00 C ATOM 0 H LEU A 373 -2.402 6.367 -11.341 1.00 0.00 H new ATOM 0 HA LEU A 373 0.225 5.663 -12.426 1.00 0.00 H new ATOM 0 HB2 LEU A 373 -2.398 4.116 -12.191 1.00 0.00 H new ATOM 0 HB3 LEU A 373 -0.860 3.417 -12.656 1.00 0.00 H new ATOM 0 HG LEU A 373 -0.752 2.991 -10.381 1.00 0.00 H new ATOM 0 HD11 LEU A 373 0.568 4.737 -9.218 1.00 0.00 H new ATOM 0 HD12 LEU A 373 1.136 4.509 -10.889 1.00 0.00 H new ATOM 0 HD13 LEU A 373 0.122 5.913 -10.477 1.00 0.00 H new ATOM 0 HD21 LEU A 373 -1.841 4.413 -8.661 1.00 0.00 H new ATOM 0 HD22 LEU A 373 -2.301 5.582 -9.921 1.00 0.00 H new ATOM 0 HD23 LEU A 373 -2.997 3.945 -9.930 1.00 0.00 H new ATOM 353 N VAL A 374 -2.431 5.929 -14.374 1.00 0.00 N ATOM 354 CA VAL A 374 -2.828 6.087 -15.800 1.00 0.00 C ATOM 355 C VAL A 374 -2.417 7.482 -16.274 1.00 0.00 C ATOM 356 O VAL A 374 -2.146 7.704 -17.437 1.00 0.00 O ATOM 357 CB VAL A 374 -4.343 5.932 -15.920 1.00 0.00 C ATOM 358 CG1 VAL A 374 -4.780 6.294 -17.340 1.00 0.00 C ATOM 359 CG2 VAL A 374 -4.732 4.484 -15.615 1.00 0.00 C ATOM 0 H VAL A 374 -3.194 6.001 -13.701 1.00 0.00 H new ATOM 0 HA VAL A 374 -2.338 5.330 -16.412 1.00 0.00 H new ATOM 0 HB VAL A 374 -4.836 6.596 -15.210 1.00 0.00 H new ATOM 0 HG11 VAL A 374 -5.861 6.184 -17.427 1.00 0.00 H new ATOM 0 HG12 VAL A 374 -4.502 7.326 -17.554 1.00 0.00 H new ATOM 0 HG13 VAL A 374 -4.289 5.631 -18.052 1.00 0.00 H new ATOM 0 HG21 VAL A 374 -5.813 4.372 -15.700 1.00 0.00 H new ATOM 0 HG22 VAL A 374 -4.241 3.818 -16.325 1.00 0.00 H new ATOM 0 HG23 VAL A 374 -4.420 4.229 -14.602 1.00 0.00 H new ATOM 369 N GLU A 375 -2.369 8.421 -15.371 1.00 0.00 N ATOM 370 CA GLU A 375 -1.975 9.806 -15.742 1.00 0.00 C ATOM 371 C GLU A 375 -0.518 9.808 -16.206 1.00 0.00 C ATOM 372 O GLU A 375 -0.162 10.456 -17.170 1.00 0.00 O ATOM 373 CB GLU A 375 -2.122 10.713 -14.517 1.00 0.00 C ATOM 374 CG GLU A 375 -3.586 11.121 -14.355 1.00 0.00 C ATOM 375 CD GLU A 375 -4.021 11.957 -15.562 1.00 0.00 C ATOM 376 OE1 GLU A 375 -3.150 12.470 -16.247 1.00 0.00 O ATOM 377 OE2 GLU A 375 -5.215 12.071 -15.779 1.00 0.00 O ATOM 0 H GLU A 375 -2.588 8.286 -14.384 1.00 0.00 H new ATOM 0 HA GLU A 375 -2.613 10.170 -16.547 1.00 0.00 H new ATOM 0 HB2 GLU A 375 -1.778 10.193 -13.623 1.00 0.00 H new ATOM 0 HB3 GLU A 375 -1.497 11.599 -14.631 1.00 0.00 H new ATOM 0 HG2 GLU A 375 -4.214 10.234 -14.268 1.00 0.00 H new ATOM 0 HG3 GLU A 375 -3.715 11.694 -13.437 1.00 0.00 H new ATOM 384 N GLU A 376 0.325 9.087 -15.522 1.00 0.00 N ATOM 385 CA GLU A 376 1.762 9.042 -15.917 1.00 0.00 C ATOM 386 C GLU A 376 1.906 8.303 -17.249 1.00 0.00 C ATOM 387 O GLU A 376 2.785 8.593 -18.037 1.00 0.00 O ATOM 388 CB GLU A 376 2.563 8.314 -14.837 1.00 0.00 C ATOM 389 CG GLU A 376 4.048 8.336 -15.201 1.00 0.00 C ATOM 390 CD GLU A 376 4.610 9.739 -14.967 1.00 0.00 C ATOM 391 OE1 GLU A 376 4.029 10.464 -14.176 1.00 0.00 O ATOM 392 OE2 GLU A 376 5.612 10.064 -15.582 1.00 0.00 O ATOM 0 H GLU A 376 0.082 8.526 -14.706 1.00 0.00 H new ATOM 0 HA GLU A 376 2.140 10.058 -16.027 1.00 0.00 H new ATOM 0 HB2 GLU A 376 2.408 8.792 -13.870 1.00 0.00 H new ATOM 0 HB3 GLU A 376 2.216 7.285 -14.743 1.00 0.00 H new ATOM 0 HG2 GLU A 376 4.592 7.609 -14.597 1.00 0.00 H new ATOM 0 HG3 GLU A 376 4.182 8.048 -16.244 1.00 0.00 H new ATOM 399 N GLY A 377 1.050 7.352 -17.511 1.00 0.00 N ATOM 400 CA GLY A 377 1.147 6.601 -18.796 1.00 0.00 C ATOM 401 C GLY A 377 0.975 5.102 -18.540 1.00 0.00 C ATOM 402 O GLY A 377 1.479 4.276 -19.276 1.00 0.00 O ATOM 0 H GLY A 377 0.291 7.064 -16.894 1.00 0.00 H new ATOM 0 HA2 GLY A 377 0.382 6.950 -19.489 1.00 0.00 H new ATOM 0 HA3 GLY A 377 2.113 6.790 -19.265 1.00 0.00 H new ATOM 406 N PHE A 378 0.268 4.740 -17.503 1.00 0.00 N ATOM 407 CA PHE A 378 0.066 3.294 -17.208 1.00 0.00 C ATOM 408 C PHE A 378 -1.430 2.975 -17.245 1.00 0.00 C ATOM 409 O PHE A 378 -2.091 2.940 -16.227 1.00 0.00 O ATOM 410 CB PHE A 378 0.625 2.974 -15.819 1.00 0.00 C ATOM 411 CG PHE A 378 2.116 3.212 -15.810 1.00 0.00 C ATOM 412 CD1 PHE A 378 2.619 4.490 -15.541 1.00 0.00 C ATOM 413 CD2 PHE A 378 2.995 2.154 -16.071 1.00 0.00 C ATOM 414 CE1 PHE A 378 4.001 4.712 -15.533 1.00 0.00 C ATOM 415 CE2 PHE A 378 4.378 2.375 -16.062 1.00 0.00 C ATOM 416 CZ PHE A 378 4.881 3.654 -15.793 1.00 0.00 C ATOM 0 H PHE A 378 -0.178 5.383 -16.849 1.00 0.00 H new ATOM 0 HA PHE A 378 0.585 2.692 -17.954 1.00 0.00 H new ATOM 0 HB2 PHE A 378 0.142 3.599 -15.068 1.00 0.00 H new ATOM 0 HB3 PHE A 378 0.410 1.938 -15.558 1.00 0.00 H new ATOM 0 HD1 PHE A 378 1.940 5.306 -15.339 1.00 0.00 H new ATOM 0 HD2 PHE A 378 2.607 1.168 -16.279 1.00 0.00 H new ATOM 0 HE1 PHE A 378 4.389 5.699 -15.326 1.00 0.00 H new ATOM 0 HE2 PHE A 378 5.057 1.559 -16.263 1.00 0.00 H new ATOM 0 HZ PHE A 378 5.947 3.824 -15.786 1.00 0.00 H new ATOM 426 N SER A 379 -1.970 2.749 -18.411 1.00 0.00 N ATOM 427 CA SER A 379 -3.425 2.441 -18.513 1.00 0.00 C ATOM 428 C SER A 379 -3.640 0.926 -18.475 1.00 0.00 C ATOM 429 O SER A 379 -4.757 0.449 -18.489 1.00 0.00 O ATOM 430 CB SER A 379 -3.974 2.999 -19.826 1.00 0.00 C ATOM 431 OG SER A 379 -3.540 2.185 -20.904 1.00 0.00 O ATOM 0 H SER A 379 -1.467 2.764 -19.298 1.00 0.00 H new ATOM 0 HA SER A 379 -3.947 2.900 -17.673 1.00 0.00 H new ATOM 0 HB2 SER A 379 -5.063 3.028 -19.794 1.00 0.00 H new ATOM 0 HB3 SER A 379 -3.632 4.024 -19.969 1.00 0.00 H new ATOM 0 HG SER A 379 -3.893 2.541 -21.746 1.00 0.00 H new ATOM 437 N THR A 380 -2.583 0.165 -18.429 1.00 0.00 N ATOM 438 CA THR A 380 -2.738 -1.316 -18.391 1.00 0.00 C ATOM 439 C THR A 380 -1.973 -1.880 -17.195 1.00 0.00 C ATOM 440 O THR A 380 -0.910 -1.406 -16.845 1.00 0.00 O ATOM 441 CB THR A 380 -2.183 -1.925 -19.681 1.00 0.00 C ATOM 442 OG1 THR A 380 -2.809 -1.313 -20.800 1.00 0.00 O ATOM 443 CG2 THR A 380 -2.458 -3.429 -19.698 1.00 0.00 C ATOM 0 H THR A 380 -1.621 0.503 -18.416 1.00 0.00 H new ATOM 0 HA THR A 380 -3.795 -1.564 -18.298 1.00 0.00 H new ATOM 0 HB THR A 380 -1.107 -1.755 -19.729 1.00 0.00 H new ATOM 0 HG1 THR A 380 -2.453 -1.701 -21.627 1.00 0.00 H new ATOM 0 HG21 THR A 380 -2.062 -3.861 -20.617 1.00 0.00 H new ATOM 0 HG22 THR A 380 -1.975 -3.897 -18.840 1.00 0.00 H new ATOM 0 HG23 THR A 380 -3.533 -3.603 -19.649 1.00 0.00 H new ATOM 451 N LEU A 381 -2.503 -2.891 -16.564 1.00 0.00 N ATOM 452 CA LEU A 381 -1.799 -3.484 -15.396 1.00 0.00 C ATOM 453 C LEU A 381 -0.456 -4.046 -15.861 1.00 0.00 C ATOM 454 O LEU A 381 0.485 -4.151 -15.099 1.00 0.00 O ATOM 455 CB LEU A 381 -2.651 -4.607 -14.801 1.00 0.00 C ATOM 456 CG LEU A 381 -4.016 -4.047 -14.393 1.00 0.00 C ATOM 457 CD1 LEU A 381 -4.990 -5.201 -14.152 1.00 0.00 C ATOM 458 CD2 LEU A 381 -3.867 -3.228 -13.109 1.00 0.00 C ATOM 0 H LEU A 381 -3.391 -3.330 -16.807 1.00 0.00 H new ATOM 0 HA LEU A 381 -1.635 -2.721 -14.635 1.00 0.00 H new ATOM 0 HB2 LEU A 381 -2.777 -5.408 -15.529 1.00 0.00 H new ATOM 0 HB3 LEU A 381 -2.149 -5.040 -13.935 1.00 0.00 H new ATOM 0 HG LEU A 381 -4.400 -3.409 -15.189 1.00 0.00 H new ATOM 0 HD11 LEU A 381 -5.962 -4.802 -13.861 1.00 0.00 H new ATOM 0 HD12 LEU A 381 -5.096 -5.785 -15.066 1.00 0.00 H new ATOM 0 HD13 LEU A 381 -4.607 -5.840 -13.356 1.00 0.00 H new ATOM 0 HD21 LEU A 381 -4.838 -2.829 -12.817 1.00 0.00 H new ATOM 0 HD22 LEU A 381 -3.483 -3.866 -12.313 1.00 0.00 H new ATOM 0 HD23 LEU A 381 -3.173 -2.405 -13.281 1.00 0.00 H new ATOM 470 N GLU A 382 -0.357 -4.397 -17.116 1.00 0.00 N ATOM 471 CA GLU A 382 0.926 -4.939 -17.639 1.00 0.00 C ATOM 472 C GLU A 382 2.046 -3.945 -17.337 1.00 0.00 C ATOM 473 O GLU A 382 3.044 -4.280 -16.737 1.00 0.00 O ATOM 474 CB GLU A 382 0.816 -5.138 -19.151 1.00 0.00 C ATOM 475 CG GLU A 382 1.872 -6.145 -19.613 1.00 0.00 C ATOM 476 CD GLU A 382 1.968 -6.118 -21.139 1.00 0.00 C ATOM 477 OE1 GLU A 382 1.117 -5.498 -21.756 1.00 0.00 O ATOM 478 OE2 GLU A 382 2.892 -6.716 -21.666 1.00 0.00 O ATOM 0 H GLU A 382 -1.111 -4.331 -17.800 1.00 0.00 H new ATOM 0 HA GLU A 382 1.143 -5.896 -17.164 1.00 0.00 H new ATOM 0 HB2 GLU A 382 -0.181 -5.496 -19.410 1.00 0.00 H new ATOM 0 HB3 GLU A 382 0.956 -4.187 -19.665 1.00 0.00 H new ATOM 0 HG2 GLU A 382 2.839 -5.902 -19.173 1.00 0.00 H new ATOM 0 HG3 GLU A 382 1.609 -7.146 -19.272 1.00 0.00 H new ATOM 485 N GLU A 383 1.887 -2.717 -17.741 1.00 0.00 N ATOM 486 CA GLU A 383 2.942 -1.708 -17.463 1.00 0.00 C ATOM 487 C GLU A 383 3.123 -1.589 -15.948 1.00 0.00 C ATOM 488 O GLU A 383 4.226 -1.530 -15.444 1.00 0.00 O ATOM 489 CB GLU A 383 2.520 -0.357 -18.042 1.00 0.00 C ATOM 490 CG GLU A 383 2.344 -0.488 -19.557 1.00 0.00 C ATOM 491 CD GLU A 383 2.031 0.884 -20.155 1.00 0.00 C ATOM 492 OE1 GLU A 383 1.813 1.808 -19.388 1.00 0.00 O ATOM 493 OE2 GLU A 383 2.016 0.989 -21.370 1.00 0.00 O ATOM 0 H GLU A 383 1.074 -2.370 -18.250 1.00 0.00 H new ATOM 0 HA GLU A 383 3.882 -2.014 -17.923 1.00 0.00 H new ATOM 0 HB2 GLU A 383 1.588 -0.027 -17.583 1.00 0.00 H new ATOM 0 HB3 GLU A 383 3.272 0.399 -17.816 1.00 0.00 H new ATOM 0 HG2 GLU A 383 3.251 -0.894 -20.005 1.00 0.00 H new ATOM 0 HG3 GLU A 383 1.538 -1.187 -19.781 1.00 0.00 H new ATOM 500 N LEU A 384 2.040 -1.552 -15.219 1.00 0.00 N ATOM 501 CA LEU A 384 2.135 -1.435 -13.737 1.00 0.00 C ATOM 502 C LEU A 384 2.841 -2.663 -13.160 1.00 0.00 C ATOM 503 O LEU A 384 3.662 -2.560 -12.271 1.00 0.00 O ATOM 504 CB LEU A 384 0.726 -1.355 -13.143 1.00 0.00 C ATOM 505 CG LEU A 384 0.057 -0.043 -13.557 1.00 0.00 C ATOM 506 CD1 LEU A 384 -1.370 -0.012 -13.003 1.00 0.00 C ATOM 507 CD2 LEU A 384 0.847 1.141 -12.996 1.00 0.00 C ATOM 0 H LEU A 384 1.090 -1.598 -15.589 1.00 0.00 H new ATOM 0 HA LEU A 384 2.701 -0.537 -13.488 1.00 0.00 H new ATOM 0 HB2 LEU A 384 0.130 -2.201 -13.485 1.00 0.00 H new ATOM 0 HB3 LEU A 384 0.776 -1.420 -12.056 1.00 0.00 H new ATOM 0 HG LEU A 384 0.033 0.026 -14.645 1.00 0.00 H new ATOM 0 HD11 LEU A 384 -1.853 0.921 -13.294 1.00 0.00 H new ATOM 0 HD12 LEU A 384 -1.934 -0.854 -13.404 1.00 0.00 H new ATOM 0 HD13 LEU A 384 -1.340 -0.081 -11.916 1.00 0.00 H new ATOM 0 HD21 LEU A 384 0.366 2.073 -13.294 1.00 0.00 H new ATOM 0 HD22 LEU A 384 0.874 1.078 -11.908 1.00 0.00 H new ATOM 0 HD23 LEU A 384 1.865 1.117 -13.386 1.00 0.00 H new ATOM 519 N ALA A 385 2.511 -3.826 -13.647 1.00 0.00 N ATOM 520 CA ALA A 385 3.146 -5.065 -13.115 1.00 0.00 C ATOM 521 C ALA A 385 4.494 -5.303 -13.797 1.00 0.00 C ATOM 522 O ALA A 385 5.429 -5.788 -13.192 1.00 0.00 O ATOM 523 CB ALA A 385 2.226 -6.257 -13.379 1.00 0.00 C ATOM 0 H ALA A 385 1.829 -3.973 -14.391 1.00 0.00 H new ATOM 0 HA ALA A 385 3.307 -4.951 -12.043 1.00 0.00 H new ATOM 0 HB1 ALA A 385 2.687 -7.165 -12.991 1.00 0.00 H new ATOM 0 HB2 ALA A 385 1.269 -6.095 -12.882 1.00 0.00 H new ATOM 0 HB3 ALA A 385 2.065 -6.362 -14.452 1.00 0.00 H new ATOM 529 N TYR A 386 4.603 -4.972 -15.052 1.00 0.00 N ATOM 530 CA TYR A 386 5.890 -5.187 -15.769 1.00 0.00 C ATOM 531 C TYR A 386 6.896 -4.125 -15.326 1.00 0.00 C ATOM 532 O TYR A 386 8.087 -4.361 -15.284 1.00 0.00 O ATOM 533 CB TYR A 386 5.657 -5.084 -17.278 1.00 0.00 C ATOM 534 CG TYR A 386 4.916 -6.311 -17.760 1.00 0.00 C ATOM 535 CD1 TYR A 386 3.728 -6.709 -17.133 1.00 0.00 C ATOM 536 CD2 TYR A 386 5.416 -7.050 -18.840 1.00 0.00 C ATOM 537 CE1 TYR A 386 3.041 -7.840 -17.585 1.00 0.00 C ATOM 538 CE2 TYR A 386 4.729 -8.184 -19.291 1.00 0.00 C ATOM 539 CZ TYR A 386 3.541 -8.579 -18.663 1.00 0.00 C ATOM 540 OH TYR A 386 2.863 -9.696 -19.108 1.00 0.00 O ATOM 0 H TYR A 386 3.856 -4.562 -15.613 1.00 0.00 H new ATOM 0 HA TYR A 386 6.281 -6.177 -15.535 1.00 0.00 H new ATOM 0 HB2 TYR A 386 5.083 -4.186 -17.507 1.00 0.00 H new ATOM 0 HB3 TYR A 386 6.611 -4.994 -17.798 1.00 0.00 H new ATOM 0 HD1 TYR A 386 3.342 -6.141 -16.299 1.00 0.00 H new ATOM 0 HD2 TYR A 386 6.332 -6.745 -19.325 1.00 0.00 H new ATOM 0 HE1 TYR A 386 2.124 -8.143 -17.102 1.00 0.00 H new ATOM 0 HE2 TYR A 386 5.115 -8.754 -20.123 1.00 0.00 H new ATOM 0 HH TYR A 386 3.345 -10.092 -19.864 1.00 0.00 H new ATOM 550 N VAL A 387 6.424 -2.957 -14.983 1.00 0.00 N ATOM 551 CA VAL A 387 7.352 -1.885 -14.528 1.00 0.00 C ATOM 552 C VAL A 387 7.965 -2.299 -13.191 1.00 0.00 C ATOM 553 O VAL A 387 7.285 -2.807 -12.321 1.00 0.00 O ATOM 554 CB VAL A 387 6.574 -0.579 -14.352 1.00 0.00 C ATOM 555 CG1 VAL A 387 5.593 -0.723 -13.187 1.00 0.00 C ATOM 556 CG2 VAL A 387 7.549 0.563 -14.061 1.00 0.00 C ATOM 0 H VAL A 387 5.437 -2.700 -14.998 1.00 0.00 H new ATOM 0 HA VAL A 387 8.140 -1.737 -15.266 1.00 0.00 H new ATOM 0 HB VAL A 387 6.023 -0.359 -15.266 1.00 0.00 H new ATOM 0 HG11 VAL A 387 5.039 0.207 -13.061 1.00 0.00 H new ATOM 0 HG12 VAL A 387 4.897 -1.535 -13.396 1.00 0.00 H new ATOM 0 HG13 VAL A 387 6.144 -0.944 -12.273 1.00 0.00 H new ATOM 0 HG21 VAL A 387 6.994 1.493 -13.936 1.00 0.00 H new ATOM 0 HG22 VAL A 387 8.102 0.345 -13.148 1.00 0.00 H new ATOM 0 HG23 VAL A 387 8.247 0.666 -14.892 1.00 0.00 H new ATOM 566 N PRO A 388 9.278 -2.086 -13.024 1.00 0.00 N ATOM 567 CA PRO A 388 9.980 -2.450 -11.791 1.00 0.00 C ATOM 568 C PRO A 388 9.600 -1.541 -10.623 1.00 0.00 C ATOM 569 O PRO A 388 8.999 -0.499 -10.793 1.00 0.00 O ATOM 570 CB PRO A 388 11.451 -2.253 -12.137 1.00 0.00 C ATOM 571 CG PRO A 388 11.444 -1.248 -13.235 1.00 0.00 C ATOM 572 CD PRO A 388 10.180 -1.480 -14.018 1.00 0.00 C ATOM 0 HA PRO A 388 9.733 -3.463 -11.474 1.00 0.00 H new ATOM 0 HB2 PRO A 388 12.017 -1.897 -11.276 1.00 0.00 H new ATOM 0 HB3 PRO A 388 11.912 -3.187 -12.457 1.00 0.00 H new ATOM 0 HG2 PRO A 388 11.471 -0.235 -12.834 1.00 0.00 H new ATOM 0 HG3 PRO A 388 12.321 -1.363 -13.872 1.00 0.00 H new ATOM 0 HD2 PRO A 388 9.775 -0.549 -14.415 1.00 0.00 H new ATOM 0 HD3 PRO A 388 10.348 -2.143 -14.867 1.00 0.00 H new ATOM 580 N MET A 389 9.945 -1.945 -9.438 1.00 0.00 N ATOM 581 CA MET A 389 9.611 -1.134 -8.235 1.00 0.00 C ATOM 582 C MET A 389 10.216 0.267 -8.362 1.00 0.00 C ATOM 583 O MET A 389 9.510 1.252 -8.445 1.00 0.00 O ATOM 584 CB MET A 389 10.174 -1.825 -6.990 1.00 0.00 C ATOM 585 CG MET A 389 9.932 -0.948 -5.760 1.00 0.00 C ATOM 586 SD MET A 389 11.517 -0.328 -5.144 1.00 0.00 S ATOM 587 CE MET A 389 11.176 1.431 -5.383 1.00 0.00 C ATOM 0 H MET A 389 10.449 -2.811 -9.247 1.00 0.00 H new ATOM 0 HA MET A 389 8.528 -1.045 -8.150 1.00 0.00 H new ATOM 0 HB2 MET A 389 9.699 -2.797 -6.855 1.00 0.00 H new ATOM 0 HB3 MET A 389 11.241 -2.007 -7.115 1.00 0.00 H new ATOM 0 HG2 MET A 389 9.278 -0.115 -6.017 1.00 0.00 H new ATOM 0 HG3 MET A 389 9.427 -1.522 -4.984 1.00 0.00 H new ATOM 0 HE1 MET A 389 12.116 1.976 -5.462 1.00 0.00 H new ATOM 0 HE2 MET A 389 10.598 1.569 -6.297 1.00 0.00 H new ATOM 0 HE3 MET A 389 10.607 1.810 -4.534 1.00 0.00 H new ATOM 597 N LYS A 390 11.517 0.365 -8.360 1.00 0.00 N ATOM 598 CA LYS A 390 12.174 1.702 -8.461 1.00 0.00 C ATOM 599 C LYS A 390 11.518 2.544 -9.561 1.00 0.00 C ATOM 600 O LYS A 390 11.098 3.660 -9.329 1.00 0.00 O ATOM 601 CB LYS A 390 13.656 1.516 -8.787 1.00 0.00 C ATOM 602 CG LYS A 390 14.350 0.815 -7.617 1.00 0.00 C ATOM 603 CD LYS A 390 15.857 0.766 -7.878 1.00 0.00 C ATOM 604 CE LYS A 390 16.540 -0.055 -6.781 1.00 0.00 C ATOM 605 NZ LYS A 390 17.722 0.691 -6.267 1.00 0.00 N ATOM 0 H LYS A 390 12.157 -0.426 -8.293 1.00 0.00 H new ATOM 0 HA LYS A 390 12.062 2.219 -7.508 1.00 0.00 H new ATOM 0 HB2 LYS A 390 13.768 0.926 -9.697 1.00 0.00 H new ATOM 0 HB3 LYS A 390 14.123 2.483 -8.974 1.00 0.00 H new ATOM 0 HG2 LYS A 390 14.148 1.347 -6.688 1.00 0.00 H new ATOM 0 HG3 LYS A 390 13.957 -0.195 -7.498 1.00 0.00 H new ATOM 0 HD2 LYS A 390 16.053 0.322 -8.854 1.00 0.00 H new ATOM 0 HD3 LYS A 390 16.266 1.776 -7.899 1.00 0.00 H new ATOM 0 HE2 LYS A 390 15.839 -0.252 -5.969 1.00 0.00 H new ATOM 0 HE3 LYS A 390 16.850 -1.022 -7.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 390 18.187 0.134 -5.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 390 18.393 0.857 -7.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 390 17.413 1.604 -5.876 1.00 0.00 H new ATOM 619 N GLU A 391 11.433 2.031 -10.758 1.00 0.00 N ATOM 620 CA GLU A 391 10.816 2.822 -11.860 1.00 0.00 C ATOM 621 C GLU A 391 9.458 3.346 -11.402 1.00 0.00 C ATOM 622 O GLU A 391 9.078 4.463 -11.695 1.00 0.00 O ATOM 623 CB GLU A 391 10.634 1.934 -13.092 1.00 0.00 C ATOM 624 CG GLU A 391 10.146 2.784 -14.265 1.00 0.00 C ATOM 625 CD GLU A 391 10.090 1.924 -15.531 1.00 0.00 C ATOM 626 OE1 GLU A 391 10.811 0.941 -15.587 1.00 0.00 O ATOM 627 OE2 GLU A 391 9.329 2.263 -16.421 1.00 0.00 O ATOM 0 H GLU A 391 11.763 1.102 -11.020 1.00 0.00 H new ATOM 0 HA GLU A 391 11.465 3.660 -12.115 1.00 0.00 H new ATOM 0 HB2 GLU A 391 11.577 1.450 -13.347 1.00 0.00 H new ATOM 0 HB3 GLU A 391 9.916 1.142 -12.880 1.00 0.00 H new ATOM 0 HG2 GLU A 391 9.159 3.192 -14.046 1.00 0.00 H new ATOM 0 HG3 GLU A 391 10.815 3.631 -14.417 1.00 0.00 H new ATOM 634 N LEU A 392 8.725 2.544 -10.688 1.00 0.00 N ATOM 635 CA LEU A 392 7.386 2.989 -10.208 1.00 0.00 C ATOM 636 C LEU A 392 7.553 3.882 -8.976 1.00 0.00 C ATOM 637 O LEU A 392 6.900 4.899 -8.844 1.00 0.00 O ATOM 638 CB LEU A 392 6.541 1.767 -9.847 1.00 0.00 C ATOM 639 CG LEU A 392 5.117 2.216 -9.507 1.00 0.00 C ATOM 640 CD1 LEU A 392 4.615 3.176 -10.588 1.00 0.00 C ATOM 641 CD2 LEU A 392 4.197 0.995 -9.443 1.00 0.00 C ATOM 0 H LEU A 392 8.993 1.599 -10.414 1.00 0.00 H new ATOM 0 HA LEU A 392 6.887 3.553 -10.996 1.00 0.00 H new ATOM 0 HB2 LEU A 392 6.523 1.064 -10.680 1.00 0.00 H new ATOM 0 HB3 LEU A 392 6.982 1.244 -8.998 1.00 0.00 H new ATOM 0 HG LEU A 392 5.116 2.721 -8.541 1.00 0.00 H new ATOM 0 HD11 LEU A 392 3.601 3.497 -10.348 1.00 0.00 H new ATOM 0 HD12 LEU A 392 5.270 4.046 -10.634 1.00 0.00 H new ATOM 0 HD13 LEU A 392 4.616 2.670 -11.553 1.00 0.00 H new ATOM 0 HD21 LEU A 392 3.184 1.315 -9.201 1.00 0.00 H new ATOM 0 HD22 LEU A 392 4.197 0.489 -10.408 1.00 0.00 H new ATOM 0 HD23 LEU A 392 4.554 0.310 -8.674 1.00 0.00 H new ATOM 653 N LEU A 393 8.423 3.517 -8.074 1.00 0.00 N ATOM 654 CA LEU A 393 8.627 4.353 -6.855 1.00 0.00 C ATOM 655 C LEU A 393 9.164 5.722 -7.270 1.00 0.00 C ATOM 656 O LEU A 393 8.988 6.706 -6.578 1.00 0.00 O ATOM 657 CB LEU A 393 9.634 3.672 -5.927 1.00 0.00 C ATOM 658 CG LEU A 393 9.912 4.575 -4.724 1.00 0.00 C ATOM 659 CD1 LEU A 393 9.771 3.762 -3.437 1.00 0.00 C ATOM 660 CD2 LEU A 393 11.334 5.132 -4.819 1.00 0.00 C ATOM 0 H LEU A 393 9.001 2.678 -8.127 1.00 0.00 H new ATOM 0 HA LEU A 393 7.678 4.472 -6.332 1.00 0.00 H new ATOM 0 HB2 LEU A 393 9.243 2.711 -5.591 1.00 0.00 H new ATOM 0 HB3 LEU A 393 10.560 3.469 -6.464 1.00 0.00 H new ATOM 0 HG LEU A 393 9.199 5.400 -4.717 1.00 0.00 H new ATOM 0 HD11 LEU A 393 9.969 4.403 -2.578 1.00 0.00 H new ATOM 0 HD12 LEU A 393 8.759 3.364 -3.367 1.00 0.00 H new ATOM 0 HD13 LEU A 393 10.485 2.938 -3.447 1.00 0.00 H new ATOM 0 HD21 LEU A 393 11.531 5.775 -3.961 1.00 0.00 H new ATOM 0 HD22 LEU A 393 12.048 4.308 -4.826 1.00 0.00 H new ATOM 0 HD23 LEU A 393 11.438 5.710 -5.737 1.00 0.00 H new ATOM 672 N GLU A 394 9.819 5.794 -8.395 1.00 0.00 N ATOM 673 CA GLU A 394 10.367 7.099 -8.857 1.00 0.00 C ATOM 674 C GLU A 394 9.261 7.896 -9.547 1.00 0.00 C ATOM 675 O GLU A 394 9.295 9.109 -9.601 1.00 0.00 O ATOM 676 CB GLU A 394 11.504 6.852 -9.851 1.00 0.00 C ATOM 677 CG GLU A 394 12.680 6.189 -9.132 1.00 0.00 C ATOM 678 CD GLU A 394 13.866 6.090 -10.092 1.00 0.00 C ATOM 679 OE1 GLU A 394 13.678 6.373 -11.264 1.00 0.00 O ATOM 680 OE2 GLU A 394 14.940 5.731 -9.641 1.00 0.00 O ATOM 0 H GLU A 394 9.999 5.004 -9.015 1.00 0.00 H new ATOM 0 HA GLU A 394 10.745 7.658 -8.001 1.00 0.00 H new ATOM 0 HB2 GLU A 394 11.157 6.216 -10.665 1.00 0.00 H new ATOM 0 HB3 GLU A 394 11.822 7.795 -10.297 1.00 0.00 H new ATOM 0 HG2 GLU A 394 12.957 6.769 -8.252 1.00 0.00 H new ATOM 0 HG3 GLU A 394 12.395 5.196 -8.783 1.00 0.00 H new ATOM 687 N ILE A 395 8.287 7.219 -10.084 1.00 0.00 N ATOM 688 CA ILE A 395 7.180 7.928 -10.785 1.00 0.00 C ATOM 689 C ILE A 395 6.750 9.166 -9.992 1.00 0.00 C ATOM 690 O ILE A 395 6.227 10.110 -10.550 1.00 0.00 O ATOM 691 CB ILE A 395 5.987 6.982 -10.942 1.00 0.00 C ATOM 692 CG1 ILE A 395 5.004 7.565 -11.958 1.00 0.00 C ATOM 693 CG2 ILE A 395 5.287 6.813 -9.594 1.00 0.00 C ATOM 694 CD1 ILE A 395 3.955 6.510 -12.316 1.00 0.00 C ATOM 0 H ILE A 395 8.209 6.202 -10.068 1.00 0.00 H new ATOM 0 HA ILE A 395 7.532 8.245 -11.767 1.00 0.00 H new ATOM 0 HB ILE A 395 6.338 6.011 -11.292 1.00 0.00 H new ATOM 0 HG12 ILE A 395 4.519 8.450 -11.545 1.00 0.00 H new ATOM 0 HG13 ILE A 395 5.537 7.883 -12.854 1.00 0.00 H new ATOM 0 HG21 ILE A 395 4.438 6.139 -9.707 1.00 0.00 H new ATOM 0 HG22 ILE A 395 5.987 6.396 -8.870 1.00 0.00 H new ATOM 0 HG23 ILE A 395 4.936 7.783 -9.242 1.00 0.00 H new ATOM 0 HD11 ILE A 395 3.254 6.925 -13.040 1.00 0.00 H new ATOM 0 HD12 ILE A 395 4.448 5.638 -12.746 1.00 0.00 H new ATOM 0 HD13 ILE A 395 3.415 6.214 -11.417 1.00 0.00 H new ATOM 706 N GLU A 396 6.955 9.181 -8.702 1.00 0.00 N ATOM 707 CA GLU A 396 6.541 10.374 -7.909 1.00 0.00 C ATOM 708 C GLU A 396 7.105 10.276 -6.486 1.00 0.00 C ATOM 709 O GLU A 396 8.288 10.441 -6.267 1.00 0.00 O ATOM 710 CB GLU A 396 5.013 10.444 -7.857 1.00 0.00 C ATOM 711 CG GLU A 396 4.586 11.704 -7.100 1.00 0.00 C ATOM 712 CD GLU A 396 3.071 11.683 -6.887 1.00 0.00 C ATOM 713 OE1 GLU A 396 2.450 10.712 -7.285 1.00 0.00 O ATOM 714 OE2 GLU A 396 2.558 12.639 -6.329 1.00 0.00 O ATOM 0 H GLU A 396 7.387 8.427 -8.168 1.00 0.00 H new ATOM 0 HA GLU A 396 6.930 11.275 -8.383 1.00 0.00 H new ATOM 0 HB2 GLU A 396 4.604 10.458 -8.867 1.00 0.00 H new ATOM 0 HB3 GLU A 396 4.614 9.558 -7.364 1.00 0.00 H new ATOM 0 HG2 GLU A 396 5.098 11.755 -6.139 1.00 0.00 H new ATOM 0 HG3 GLU A 396 4.873 12.593 -7.662 1.00 0.00 H new ATOM 721 N GLY A 397 6.270 10.013 -5.515 1.00 0.00 N ATOM 722 CA GLY A 397 6.766 9.913 -4.112 1.00 0.00 C ATOM 723 C GLY A 397 6.152 8.684 -3.443 1.00 0.00 C ATOM 724 O GLY A 397 5.680 8.742 -2.324 1.00 0.00 O ATOM 0 H GLY A 397 5.268 9.863 -5.633 1.00 0.00 H new ATOM 0 HA2 GLY A 397 7.854 9.840 -4.103 1.00 0.00 H new ATOM 0 HA3 GLY A 397 6.502 10.813 -3.556 1.00 0.00 H new ATOM 728 N LEU A 398 6.160 7.574 -4.120 1.00 0.00 N ATOM 729 CA LEU A 398 5.580 6.336 -3.527 1.00 0.00 C ATOM 730 C LEU A 398 6.619 5.674 -2.620 1.00 0.00 C ATOM 731 O LEU A 398 7.802 5.699 -2.894 1.00 0.00 O ATOM 732 CB LEU A 398 5.179 5.371 -4.642 1.00 0.00 C ATOM 733 CG LEU A 398 4.042 5.988 -5.456 1.00 0.00 C ATOM 734 CD1 LEU A 398 4.608 7.074 -6.373 1.00 0.00 C ATOM 735 CD2 LEU A 398 3.368 4.905 -6.301 1.00 0.00 C ATOM 0 H LEU A 398 6.543 7.468 -5.059 1.00 0.00 H new ATOM 0 HA LEU A 398 4.697 6.592 -2.941 1.00 0.00 H new ATOM 0 HB2 LEU A 398 6.034 5.166 -5.286 1.00 0.00 H new ATOM 0 HB3 LEU A 398 4.863 4.418 -4.218 1.00 0.00 H new ATOM 0 HG LEU A 398 3.307 6.426 -4.781 1.00 0.00 H new ATOM 0 HD11 LEU A 398 3.800 7.516 -6.955 1.00 0.00 H new ATOM 0 HD12 LEU A 398 5.086 7.846 -5.770 1.00 0.00 H new ATOM 0 HD13 LEU A 398 5.342 6.634 -7.048 1.00 0.00 H new ATOM 0 HD21 LEU A 398 2.558 5.347 -6.880 1.00 0.00 H new ATOM 0 HD22 LEU A 398 4.100 4.464 -6.978 1.00 0.00 H new ATOM 0 HD23 LEU A 398 2.966 4.131 -5.647 1.00 0.00 H new ATOM 747 N ASP A 399 6.186 5.085 -1.539 1.00 0.00 N ATOM 748 CA ASP A 399 7.148 4.428 -0.612 1.00 0.00 C ATOM 749 C ASP A 399 7.531 3.049 -1.154 1.00 0.00 C ATOM 750 O ASP A 399 6.880 2.508 -2.026 1.00 0.00 O ATOM 751 CB ASP A 399 6.503 4.272 0.766 1.00 0.00 C ATOM 752 CG ASP A 399 5.940 5.619 1.221 1.00 0.00 C ATOM 753 OD1 ASP A 399 6.367 6.629 0.683 1.00 0.00 O ATOM 754 OD2 ASP A 399 5.093 5.621 2.098 1.00 0.00 O ATOM 0 H ASP A 399 5.207 5.031 -1.258 1.00 0.00 H new ATOM 0 HA ASP A 399 8.044 5.043 -0.529 1.00 0.00 H new ATOM 0 HB2 ASP A 399 5.707 3.528 0.725 1.00 0.00 H new ATOM 0 HB3 ASP A 399 7.239 3.912 1.485 1.00 0.00 H new ATOM 759 N GLU A 400 8.585 2.480 -0.639 1.00 0.00 N ATOM 760 CA GLU A 400 9.023 1.138 -1.112 1.00 0.00 C ATOM 761 C GLU A 400 7.857 0.146 -1.027 1.00 0.00 C ATOM 762 O GLU A 400 7.635 -0.631 -1.934 1.00 0.00 O ATOM 763 CB GLU A 400 10.177 0.642 -0.239 1.00 0.00 C ATOM 764 CG GLU A 400 10.576 -0.768 -0.674 1.00 0.00 C ATOM 765 CD GLU A 400 12.030 -1.032 -0.281 1.00 0.00 C ATOM 766 OE1 GLU A 400 12.826 -0.113 -0.382 1.00 0.00 O ATOM 767 OE2 GLU A 400 12.324 -2.148 0.115 1.00 0.00 O ATOM 0 H GLU A 400 9.165 2.890 0.093 1.00 0.00 H new ATOM 0 HA GLU A 400 9.353 1.215 -2.148 1.00 0.00 H new ATOM 0 HB2 GLU A 400 11.029 1.316 -0.327 1.00 0.00 H new ATOM 0 HB3 GLU A 400 9.879 0.640 0.809 1.00 0.00 H new ATOM 0 HG2 GLU A 400 9.922 -1.503 -0.205 1.00 0.00 H new ATOM 0 HG3 GLU A 400 10.454 -0.875 -1.752 1.00 0.00 H new ATOM 774 N PRO A 401 7.103 0.162 0.086 1.00 0.00 N ATOM 775 CA PRO A 401 5.967 -0.748 0.277 1.00 0.00 C ATOM 776 C PRO A 401 4.810 -0.432 -0.676 1.00 0.00 C ATOM 777 O PRO A 401 4.211 -1.318 -1.253 1.00 0.00 O ATOM 778 CB PRO A 401 5.544 -0.502 1.726 1.00 0.00 C ATOM 779 CG PRO A 401 6.020 0.878 2.026 1.00 0.00 C ATOM 780 CD PRO A 401 7.287 1.064 1.241 1.00 0.00 C ATOM 0 HA PRO A 401 6.238 -1.784 0.072 1.00 0.00 H new ATOM 0 HB2 PRO A 401 4.463 -0.583 1.843 1.00 0.00 H new ATOM 0 HB3 PRO A 401 5.993 -1.232 2.400 1.00 0.00 H new ATOM 0 HG2 PRO A 401 5.273 1.618 1.740 1.00 0.00 H new ATOM 0 HG3 PRO A 401 6.201 1.004 3.093 1.00 0.00 H new ATOM 0 HD2 PRO A 401 7.418 2.099 0.927 1.00 0.00 H new ATOM 0 HD3 PRO A 401 8.166 0.795 1.826 1.00 0.00 H new ATOM 788 N THR A 402 4.493 0.821 -0.854 1.00 0.00 N ATOM 789 CA THR A 402 3.379 1.176 -1.779 1.00 0.00 C ATOM 790 C THR A 402 3.682 0.606 -3.164 1.00 0.00 C ATOM 791 O THR A 402 2.832 0.024 -3.808 1.00 0.00 O ATOM 792 CB THR A 402 3.252 2.700 -1.873 1.00 0.00 C ATOM 793 OG1 THR A 402 3.207 3.250 -0.563 1.00 0.00 O ATOM 794 CG2 THR A 402 1.969 3.061 -2.625 1.00 0.00 C ATOM 0 H THR A 402 4.954 1.611 -0.402 1.00 0.00 H new ATOM 0 HA THR A 402 2.444 0.760 -1.403 1.00 0.00 H new ATOM 0 HB THR A 402 4.110 3.105 -2.409 1.00 0.00 H new ATOM 0 HG1 THR A 402 3.128 4.225 -0.620 1.00 0.00 H new ATOM 0 HG21 THR A 402 1.879 4.145 -2.692 1.00 0.00 H new ATOM 0 HG22 THR A 402 2.004 2.637 -3.629 1.00 0.00 H new ATOM 0 HG23 THR A 402 1.109 2.658 -2.091 1.00 0.00 H new ATOM 802 N VAL A 403 4.889 0.774 -3.627 1.00 0.00 N ATOM 803 CA VAL A 403 5.253 0.249 -4.972 1.00 0.00 C ATOM 804 C VAL A 403 5.183 -1.279 -4.969 1.00 0.00 C ATOM 805 O VAL A 403 4.586 -1.881 -5.840 1.00 0.00 O ATOM 806 CB VAL A 403 6.673 0.691 -5.321 1.00 0.00 C ATOM 807 CG1 VAL A 403 6.903 0.521 -6.824 1.00 0.00 C ATOM 808 CG2 VAL A 403 6.855 2.160 -4.938 1.00 0.00 C ATOM 0 H VAL A 403 5.640 1.253 -3.131 1.00 0.00 H new ATOM 0 HA VAL A 403 4.554 0.639 -5.712 1.00 0.00 H new ATOM 0 HB VAL A 403 7.391 0.081 -4.773 1.00 0.00 H new ATOM 0 HG11 VAL A 403 7.916 0.836 -7.075 1.00 0.00 H new ATOM 0 HG12 VAL A 403 6.771 -0.526 -7.096 1.00 0.00 H new ATOM 0 HG13 VAL A 403 6.187 1.132 -7.373 1.00 0.00 H new ATOM 0 HG21 VAL A 403 7.868 2.478 -5.186 1.00 0.00 H new ATOM 0 HG22 VAL A 403 6.138 2.771 -5.487 1.00 0.00 H new ATOM 0 HG23 VAL A 403 6.689 2.280 -3.867 1.00 0.00 H new ATOM 818 N GLU A 404 5.792 -1.913 -4.006 1.00 0.00 N ATOM 819 CA GLU A 404 5.763 -3.403 -3.960 1.00 0.00 C ATOM 820 C GLU A 404 4.315 -3.895 -3.890 1.00 0.00 C ATOM 821 O GLU A 404 3.941 -4.843 -4.551 1.00 0.00 O ATOM 822 CB GLU A 404 6.526 -3.887 -2.725 1.00 0.00 C ATOM 823 CG GLU A 404 8.004 -3.518 -2.861 1.00 0.00 C ATOM 824 CD GLU A 404 8.772 -4.018 -1.636 1.00 0.00 C ATOM 825 OE1 GLU A 404 8.131 -4.489 -0.710 1.00 0.00 O ATOM 826 OE2 GLU A 404 9.989 -3.922 -1.642 1.00 0.00 O ATOM 0 H GLU A 404 6.308 -1.465 -3.249 1.00 0.00 H new ATOM 0 HA GLU A 404 6.232 -3.799 -4.861 1.00 0.00 H new ATOM 0 HB2 GLU A 404 6.108 -3.434 -1.826 1.00 0.00 H new ATOM 0 HB3 GLU A 404 6.418 -4.966 -2.618 1.00 0.00 H new ATOM 0 HG2 GLU A 404 8.418 -3.960 -3.768 1.00 0.00 H new ATOM 0 HG3 GLU A 404 8.112 -2.437 -2.955 1.00 0.00 H new ATOM 833 N ALA A 405 3.497 -3.264 -3.093 1.00 0.00 N ATOM 834 CA ALA A 405 2.077 -3.704 -2.980 1.00 0.00 C ATOM 835 C ALA A 405 1.314 -3.306 -4.244 1.00 0.00 C ATOM 836 O ALA A 405 0.461 -4.028 -4.720 1.00 0.00 O ATOM 837 CB ALA A 405 1.429 -3.039 -1.765 1.00 0.00 C ATOM 0 H ALA A 405 3.750 -2.463 -2.515 1.00 0.00 H new ATOM 0 HA ALA A 405 2.044 -4.787 -2.862 1.00 0.00 H new ATOM 0 HB1 ALA A 405 0.391 -3.362 -1.684 1.00 0.00 H new ATOM 0 HB2 ALA A 405 1.969 -3.325 -0.863 1.00 0.00 H new ATOM 0 HB3 ALA A 405 1.464 -1.956 -1.881 1.00 0.00 H new ATOM 843 N LEU A 406 1.611 -2.160 -4.787 1.00 0.00 N ATOM 844 CA LEU A 406 0.901 -1.712 -6.017 1.00 0.00 C ATOM 845 C LEU A 406 1.267 -2.629 -7.187 1.00 0.00 C ATOM 846 O LEU A 406 0.412 -3.085 -7.920 1.00 0.00 O ATOM 847 CB LEU A 406 1.310 -0.275 -6.344 1.00 0.00 C ATOM 848 CG LEU A 406 0.463 0.242 -7.508 1.00 0.00 C ATOM 849 CD1 LEU A 406 -0.967 0.499 -7.024 1.00 0.00 C ATOM 850 CD2 LEU A 406 1.064 1.545 -8.039 1.00 0.00 C ATOM 0 H LEU A 406 2.315 -1.513 -4.432 1.00 0.00 H new ATOM 0 HA LEU A 406 -0.175 -1.756 -5.851 1.00 0.00 H new ATOM 0 HB2 LEU A 406 1.174 0.361 -5.470 1.00 0.00 H new ATOM 0 HB3 LEU A 406 2.368 -0.237 -6.604 1.00 0.00 H new ATOM 0 HG LEU A 406 0.449 -0.502 -8.305 1.00 0.00 H new ATOM 0 HD11 LEU A 406 -1.571 0.867 -7.853 1.00 0.00 H new ATOM 0 HD12 LEU A 406 -1.396 -0.429 -6.647 1.00 0.00 H new ATOM 0 HD13 LEU A 406 -0.953 1.242 -6.227 1.00 0.00 H new ATOM 0 HD21 LEU A 406 0.460 1.913 -8.868 1.00 0.00 H new ATOM 0 HD22 LEU A 406 1.079 2.290 -7.243 1.00 0.00 H new ATOM 0 HD23 LEU A 406 2.082 1.362 -8.384 1.00 0.00 H new ATOM 862 N ARG A 407 2.530 -2.905 -7.367 1.00 0.00 N ATOM 863 CA ARG A 407 2.944 -3.795 -8.488 1.00 0.00 C ATOM 864 C ARG A 407 2.426 -5.210 -8.230 1.00 0.00 C ATOM 865 O ARG A 407 1.815 -5.824 -9.083 1.00 0.00 O ATOM 866 CB ARG A 407 4.469 -3.822 -8.579 1.00 0.00 C ATOM 867 CG ARG A 407 4.991 -2.402 -8.799 1.00 0.00 C ATOM 868 CD ARG A 407 6.506 -2.444 -8.993 1.00 0.00 C ATOM 869 NE ARG A 407 7.152 -2.986 -7.765 1.00 0.00 N ATOM 870 CZ ARG A 407 7.875 -4.071 -7.832 1.00 0.00 C ATOM 871 NH1 ARG A 407 8.581 -4.320 -8.900 1.00 0.00 N ATOM 872 NH2 ARG A 407 7.891 -4.908 -6.830 1.00 0.00 N ATOM 0 H ARG A 407 3.292 -2.553 -6.787 1.00 0.00 H new ATOM 0 HA ARG A 407 2.530 -3.419 -9.424 1.00 0.00 H new ATOM 0 HB2 ARG A 407 4.891 -4.239 -7.665 1.00 0.00 H new ATOM 0 HB3 ARG A 407 4.784 -4.468 -9.399 1.00 0.00 H new ATOM 0 HG2 ARG A 407 4.513 -1.958 -9.672 1.00 0.00 H new ATOM 0 HG3 ARG A 407 4.740 -1.774 -7.945 1.00 0.00 H new ATOM 0 HD2 ARG A 407 6.756 -3.066 -9.852 1.00 0.00 H new ATOM 0 HD3 ARG A 407 6.884 -1.443 -9.204 1.00 0.00 H new ATOM 0 HE ARG A 407 7.029 -2.509 -6.872 1.00 0.00 H new ATOM 0 HH11 ARG A 407 8.568 -3.667 -9.683 1.00 0.00 H new ATOM 0 HH12 ARG A 407 9.146 -5.168 -8.952 1.00 0.00 H new ATOM 0 HH21 ARG A 407 7.339 -4.714 -5.995 1.00 0.00 H new ATOM 0 HH22 ARG A 407 8.456 -5.756 -6.883 1.00 0.00 H new ATOM 886 N GLU A 408 2.665 -5.731 -7.060 1.00 0.00 N ATOM 887 CA GLU A 408 2.188 -7.106 -6.743 1.00 0.00 C ATOM 888 C GLU A 408 0.754 -7.276 -7.249 1.00 0.00 C ATOM 889 O GLU A 408 0.409 -8.279 -7.842 1.00 0.00 O ATOM 890 CB GLU A 408 2.220 -7.325 -5.230 1.00 0.00 C ATOM 891 CG GLU A 408 1.905 -8.791 -4.923 1.00 0.00 C ATOM 892 CD GLU A 408 1.890 -9.005 -3.408 1.00 0.00 C ATOM 893 OE1 GLU A 408 2.102 -8.042 -2.691 1.00 0.00 O ATOM 894 OE2 GLU A 408 1.667 -10.131 -2.992 1.00 0.00 O ATOM 0 H GLU A 408 3.171 -5.264 -6.308 1.00 0.00 H new ATOM 0 HA GLU A 408 2.837 -7.834 -7.229 1.00 0.00 H new ATOM 0 HB2 GLU A 408 3.201 -7.061 -4.834 1.00 0.00 H new ATOM 0 HB3 GLU A 408 1.494 -6.675 -4.742 1.00 0.00 H new ATOM 0 HG2 GLU A 408 0.939 -9.063 -5.349 1.00 0.00 H new ATOM 0 HG3 GLU A 408 2.651 -9.438 -5.385 1.00 0.00 H new ATOM 901 N ARG A 409 -0.085 -6.303 -7.019 1.00 0.00 N ATOM 902 CA ARG A 409 -1.496 -6.409 -7.487 1.00 0.00 C ATOM 903 C ARG A 409 -1.532 -6.366 -9.015 1.00 0.00 C ATOM 904 O ARG A 409 -2.242 -7.120 -9.650 1.00 0.00 O ATOM 905 CB ARG A 409 -2.309 -5.240 -6.928 1.00 0.00 C ATOM 906 CG ARG A 409 -2.340 -5.322 -5.400 1.00 0.00 C ATOM 907 CD ARG A 409 -3.226 -4.204 -4.848 1.00 0.00 C ATOM 908 NE ARG A 409 -3.092 -4.148 -3.365 1.00 0.00 N ATOM 909 CZ ARG A 409 -4.006 -4.690 -2.608 1.00 0.00 C ATOM 910 NH1 ARG A 409 -4.789 -3.933 -1.889 1.00 0.00 N ATOM 911 NH2 ARG A 409 -4.139 -5.987 -2.572 1.00 0.00 N ATOM 0 H ARG A 409 0.146 -5.440 -6.527 1.00 0.00 H new ATOM 0 HA ARG A 409 -1.923 -7.350 -7.139 1.00 0.00 H new ATOM 0 HB2 ARG A 409 -1.869 -4.294 -7.243 1.00 0.00 H new ATOM 0 HB3 ARG A 409 -3.324 -5.267 -7.325 1.00 0.00 H new ATOM 0 HG2 ARG A 409 -2.722 -6.293 -5.085 1.00 0.00 H new ATOM 0 HG3 ARG A 409 -1.330 -5.232 -5.000 1.00 0.00 H new ATOM 0 HD2 ARG A 409 -2.938 -3.248 -5.286 1.00 0.00 H new ATOM 0 HD3 ARG A 409 -4.266 -4.381 -5.123 1.00 0.00 H new ATOM 0 HE ARG A 409 -2.287 -3.686 -2.942 1.00 0.00 H new ATOM 0 HH11 ARG A 409 -4.686 -2.919 -1.919 1.00 0.00 H new ATOM 0 HH12 ARG A 409 -5.504 -4.356 -1.297 1.00 0.00 H new ATOM 0 HH21 ARG A 409 -3.528 -6.578 -3.136 1.00 0.00 H new ATOM 0 HH22 ARG A 409 -4.854 -6.410 -1.980 1.00 0.00 H new ATOM 925 N ALA A 410 -0.773 -5.488 -9.612 1.00 0.00 N ATOM 926 CA ALA A 410 -0.766 -5.396 -11.099 1.00 0.00 C ATOM 927 C ALA A 410 -0.418 -6.759 -11.698 1.00 0.00 C ATOM 928 O ALA A 410 -1.060 -7.225 -12.618 1.00 0.00 O ATOM 929 CB ALA A 410 0.277 -4.365 -11.538 1.00 0.00 C ATOM 0 H ALA A 410 -0.157 -4.830 -9.134 1.00 0.00 H new ATOM 0 HA ALA A 410 -1.753 -5.091 -11.448 1.00 0.00 H new ATOM 0 HB1 ALA A 410 0.284 -4.295 -12.626 1.00 0.00 H new ATOM 0 HB2 ALA A 410 0.028 -3.392 -11.114 1.00 0.00 H new ATOM 0 HB3 ALA A 410 1.262 -4.672 -11.187 1.00 0.00 H new ATOM 935 N LYS A 411 0.598 -7.402 -11.190 1.00 0.00 N ATOM 936 CA LYS A 411 0.983 -8.732 -11.741 1.00 0.00 C ATOM 937 C LYS A 411 -0.157 -9.724 -11.514 1.00 0.00 C ATOM 938 O LYS A 411 -0.632 -10.357 -12.435 1.00 0.00 O ATOM 939 CB LYS A 411 2.246 -9.231 -11.036 1.00 0.00 C ATOM 940 CG LYS A 411 3.478 -8.787 -11.828 1.00 0.00 C ATOM 941 CD LYS A 411 4.373 -9.996 -12.105 1.00 0.00 C ATOM 942 CE LYS A 411 5.707 -9.518 -12.681 1.00 0.00 C ATOM 943 NZ LYS A 411 5.669 -9.617 -14.168 1.00 0.00 N ATOM 0 H LYS A 411 1.176 -7.065 -10.420 1.00 0.00 H new ATOM 0 HA LYS A 411 1.178 -8.642 -12.810 1.00 0.00 H new ATOM 0 HB2 LYS A 411 2.290 -8.835 -10.021 1.00 0.00 H new ATOM 0 HB3 LYS A 411 2.225 -10.318 -10.954 1.00 0.00 H new ATOM 0 HG2 LYS A 411 3.172 -8.325 -12.767 1.00 0.00 H new ATOM 0 HG3 LYS A 411 4.031 -8.033 -11.267 1.00 0.00 H new ATOM 0 HD2 LYS A 411 4.541 -10.556 -11.185 1.00 0.00 H new ATOM 0 HD3 LYS A 411 3.883 -10.672 -12.805 1.00 0.00 H new ATOM 0 HE2 LYS A 411 5.898 -8.488 -12.379 1.00 0.00 H new ATOM 0 HE3 LYS A 411 6.524 -10.123 -12.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 411 6.576 -9.292 -14.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 411 5.506 -10.606 -14.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 411 4.899 -9.022 -14.536 1.00 0.00 H new ATOM 957 N ASN A 412 -0.603 -9.860 -10.296 1.00 0.00 N ATOM 958 CA ASN A 412 -1.716 -10.809 -10.016 1.00 0.00 C ATOM 959 C ASN A 412 -2.890 -10.503 -10.948 1.00 0.00 C ATOM 960 O ASN A 412 -3.482 -11.390 -11.529 1.00 0.00 O ATOM 961 CB ASN A 412 -2.164 -10.652 -8.561 1.00 0.00 C ATOM 962 CG ASN A 412 -1.034 -11.094 -7.628 1.00 0.00 C ATOM 963 OD1 ASN A 412 -0.097 -11.741 -8.053 1.00 0.00 O ATOM 964 ND2 ASN A 412 -1.083 -10.767 -6.366 1.00 0.00 N ATOM 0 H ASN A 412 -0.246 -9.356 -9.484 1.00 0.00 H new ATOM 0 HA ASN A 412 -1.376 -11.831 -10.183 1.00 0.00 H new ATOM 0 HB2 ASN A 412 -2.430 -9.614 -8.361 1.00 0.00 H new ATOM 0 HB3 ASN A 412 -3.056 -11.250 -8.378 1.00 0.00 H new ATOM 0 HD21 ASN A 412 -0.335 -11.054 -5.735 1.00 0.00 H new ATOM 0 HD22 ASN A 412 -1.870 -10.224 -6.010 1.00 0.00 H new ATOM 971 N ALA A 413 -3.226 -9.251 -11.102 1.00 0.00 N ATOM 972 CA ALA A 413 -4.356 -8.891 -12.001 1.00 0.00 C ATOM 973 C ALA A 413 -3.971 -9.210 -13.446 1.00 0.00 C ATOM 974 O ALA A 413 -4.786 -9.647 -14.236 1.00 0.00 O ATOM 975 CB ALA A 413 -4.655 -7.397 -11.872 1.00 0.00 C ATOM 0 H ALA A 413 -2.767 -8.464 -10.644 1.00 0.00 H new ATOM 0 HA ALA A 413 -5.241 -9.463 -11.722 1.00 0.00 H new ATOM 0 HB1 ALA A 413 -5.483 -7.133 -12.531 1.00 0.00 H new ATOM 0 HB2 ALA A 413 -4.924 -7.168 -10.841 1.00 0.00 H new ATOM 0 HB3 ALA A 413 -3.771 -6.824 -12.152 1.00 0.00 H new ATOM 981 N LEU A 414 -2.732 -8.998 -13.797 1.00 0.00 N ATOM 982 CA LEU A 414 -2.288 -9.289 -15.188 1.00 0.00 C ATOM 983 C LEU A 414 -2.167 -10.803 -15.374 1.00 0.00 C ATOM 984 O LEU A 414 -2.587 -11.350 -16.374 1.00 0.00 O ATOM 985 CB LEU A 414 -0.927 -8.635 -15.436 1.00 0.00 C ATOM 986 CG LEU A 414 -0.698 -8.491 -16.941 1.00 0.00 C ATOM 987 CD1 LEU A 414 -0.670 -9.878 -17.589 1.00 0.00 C ATOM 988 CD2 LEU A 414 -1.832 -7.666 -17.553 1.00 0.00 C ATOM 0 H LEU A 414 -2.007 -8.635 -13.178 1.00 0.00 H new ATOM 0 HA LEU A 414 -3.016 -8.891 -15.895 1.00 0.00 H new ATOM 0 HB2 LEU A 414 -0.889 -7.657 -14.956 1.00 0.00 H new ATOM 0 HB3 LEU A 414 -0.135 -9.239 -14.993 1.00 0.00 H new ATOM 0 HG LEU A 414 0.253 -7.989 -17.117 1.00 0.00 H new ATOM 0 HD11 LEU A 414 -0.507 -9.775 -18.662 1.00 0.00 H new ATOM 0 HD12 LEU A 414 0.138 -10.467 -17.154 1.00 0.00 H new ATOM 0 HD13 LEU A 414 -1.621 -10.381 -17.413 1.00 0.00 H new ATOM 0 HD21 LEU A 414 -1.669 -7.563 -18.626 1.00 0.00 H new ATOM 0 HD22 LEU A 414 -2.783 -8.168 -17.377 1.00 0.00 H new ATOM 0 HD23 LEU A 414 -1.853 -6.678 -17.093 1.00 0.00 H new ATOM 1000 N ALA A 415 -1.600 -11.485 -14.416 1.00 0.00 N ATOM 1001 CA ALA A 415 -1.456 -12.962 -14.541 1.00 0.00 C ATOM 1002 C ALA A 415 -2.843 -13.603 -14.551 1.00 0.00 C ATOM 1003 O ALA A 415 -3.080 -14.585 -15.227 1.00 0.00 O ATOM 1004 CB ALA A 415 -0.652 -13.500 -13.356 1.00 0.00 C ATOM 0 H ALA A 415 -1.231 -11.083 -13.554 1.00 0.00 H new ATOM 0 HA ALA A 415 -0.935 -13.202 -15.468 1.00 0.00 H new ATOM 0 HB1 ALA A 415 -0.547 -14.581 -13.448 1.00 0.00 H new ATOM 0 HB2 ALA A 415 0.336 -13.039 -13.347 1.00 0.00 H new ATOM 0 HB3 ALA A 415 -1.171 -13.264 -12.427 1.00 0.00 H new ATOM 1010 N THR A 416 -3.765 -13.055 -13.809 1.00 0.00 N ATOM 1011 CA THR A 416 -5.138 -13.630 -13.780 1.00 0.00 C ATOM 1012 C THR A 416 -5.744 -13.562 -15.182 1.00 0.00 C ATOM 1013 O THR A 416 -6.393 -14.484 -15.634 1.00 0.00 O ATOM 1014 CB THR A 416 -6.005 -12.828 -12.807 1.00 0.00 C ATOM 1015 OG1 THR A 416 -5.404 -12.839 -11.521 1.00 0.00 O ATOM 1016 CG2 THR A 416 -7.399 -13.451 -12.730 1.00 0.00 C ATOM 0 H THR A 416 -3.626 -12.233 -13.221 1.00 0.00 H new ATOM 0 HA THR A 416 -5.094 -14.669 -13.453 1.00 0.00 H new ATOM 0 HB THR A 416 -6.091 -11.800 -13.158 1.00 0.00 H new ATOM 0 HG1 THR A 416 -4.986 -11.970 -11.348 1.00 0.00 H new ATOM 0 HG21 THR A 416 -8.015 -12.879 -12.037 1.00 0.00 H new ATOM 0 HG22 THR A 416 -7.858 -13.439 -13.719 1.00 0.00 H new ATOM 0 HG23 THR A 416 -7.319 -14.480 -12.380 1.00 0.00 H new