USER MOD reduce.3.24.130724 H: found=0, std=0, add=702, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 705 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 391 THR OG1 : rot -84:sc= 0.412 USER MOD Set 1.2: A 393 HIS : no HD1:sc= -2.41 X(o=-2,f=-1.5) USER MOD Set 1.3: A 443 THR OG1 : rot 180:sc= -0.0215 USER MOD Single : A 364 SER OG : rot 180:sc= 0 USER MOD Single : A 365 HIS : no HE2:sc= 0.406 K(o=0.41,f=-3.6!) USER MOD Single : A 366 MET CE :methyl -153:sc= -0.125 (180deg=-1.47) USER MOD Single : A 370 MET CE :methyl -156:sc= -0.231 (180deg=-0.961) USER MOD Single : A 371 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 372 LYS NZ :NH3+ -137:sc= 0.254 (180deg=-0.25) USER MOD Single : A 376 SER OG : rot 180:sc= 0 USER MOD Single : A 378 ASN : amide:sc= -1.04 K(o=-1,f=-0.15) USER MOD Single : A 381 LYS NZ :NH3+ 165:sc= -0.057 (180deg=-0.31) USER MOD Single : A 383 TYR OH : rot 32:sc= -0.123 USER MOD Single : A 396 GLN : amide:sc= -1.33 K(o=-1.3,f=-0.1) USER MOD Single : A 399 GLN : amide:sc= -0.878 K(o=-0.88,f=-0.25) USER MOD Single : A 400 SER OG : rot 180:sc= 0 USER MOD Single : A 402 THR OG1 : rot -160:sc= 0 USER MOD Single : A 403 THR OG1 : rot -81:sc= 0.383 USER MOD Single : A 405 ASN : amide:sc= -0.539 X(o=-0.54,f=-0.42) USER MOD Single : A 412 TYR OH : rot -12:sc= 0.34 USER MOD Single : A 413 TYR OH : rot 180:sc= 0 USER MOD Single : A 415 HIS : no HE2:sc= -0.323 K(o=-0.32,f=-1.3) USER MOD Single : A 416 TYR OH : rot 180:sc= 0 USER MOD Single : A 420 ASN : amide:sc= -1.78 K(o=-1.8,f=-0.84) USER MOD Single : A 430 HIS : no HD1:sc= -3.7! C(o=-3.7!,f=-5.8!) USER MOD Single : A 433 SER OG : rot -7:sc= 0.937 USER MOD Single : A 435 ASN : amide:sc= -0.944 K(o=-0.94,f=-11!) USER MOD Single : A 454 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 363 -17.794 -7.866 -1.116 1.00 11.64 N ATOM 2 CA GLY A 363 -16.769 -7.711 -0.046 1.00 11.03 C ATOM 3 C GLY A 363 -15.509 -8.504 -0.332 1.00 10.23 C ATOM 4 O GLY A 363 -14.400 -7.993 -0.174 1.00 10.21 O ATOM 0 HA2 GLY A 363 -16.515 -6.656 0.060 1.00 11.03 H new ATOM 0 HA3 GLY A 363 -17.190 -8.034 0.906 1.00 11.03 H new ATOM 10 N SER A 364 -15.686 -9.755 -0.754 1.00 9.80 N ATOM 11 CA SER A 364 -14.564 -10.639 -1.069 1.00 9.25 C ATOM 12 C SER A 364 -13.726 -10.935 0.173 1.00 8.36 C ATOM 13 O SER A 364 -13.351 -10.027 0.915 1.00 8.24 O ATOM 14 CB SER A 364 -13.686 -10.020 -2.159 1.00 9.60 C ATOM 15 OG SER A 364 -12.593 -10.865 -2.477 1.00 9.86 O ATOM 0 H SER A 364 -16.603 -10.182 -0.886 1.00 9.80 H new ATOM 0 HA SER A 364 -14.974 -11.580 -1.434 1.00 9.25 H new ATOM 0 HB2 SER A 364 -14.283 -9.841 -3.053 1.00 9.60 H new ATOM 0 HB3 SER A 364 -13.315 -9.051 -1.825 1.00 9.60 H new ATOM 0 HG SER A 364 -12.049 -10.447 -3.177 1.00 9.86 H new ATOM 21 N HIS A 365 -13.436 -12.215 0.392 1.00 7.98 N ATOM 22 CA HIS A 365 -12.644 -12.638 1.543 1.00 7.35 C ATOM 23 C HIS A 365 -12.350 -14.135 1.469 1.00 6.30 C ATOM 24 O HIS A 365 -12.717 -14.898 2.363 1.00 6.44 O ATOM 25 CB HIS A 365 -13.377 -12.306 2.847 1.00 7.88 C ATOM 26 CG HIS A 365 -12.509 -12.387 4.068 1.00 7.65 C ATOM 27 ND1 HIS A 365 -11.879 -13.545 4.478 1.00 7.18 N ATOM 28 CD2 HIS A 365 -12.165 -11.438 4.971 1.00 8.07 C ATOM 29 CE1 HIS A 365 -11.189 -13.304 5.579 1.00 7.26 C ATOM 30 NE2 HIS A 365 -11.345 -12.034 5.897 1.00 7.79 N ATOM 0 H HIS A 365 -13.738 -12.978 -0.214 1.00 7.98 H new ATOM 0 HA HIS A 365 -11.698 -12.097 1.527 1.00 7.35 H new ATOM 0 HB2 HIS A 365 -13.792 -11.301 2.774 1.00 7.88 H new ATOM 0 HB3 HIS A 365 -14.218 -12.990 2.964 1.00 7.88 H new ATOM 0 HD1 HIS A 365 -11.937 -14.447 4.005 1.00 7.18 H new ATOM 0 HD2 HIS A 365 -12.478 -10.404 4.964 1.00 8.07 H new ATOM 0 HE1 HIS A 365 -10.598 -14.024 6.125 1.00 7.26 H new ATOM 39 N MET A 366 -11.690 -14.550 0.391 1.00 5.51 N ATOM 40 CA MET A 366 -11.349 -15.955 0.198 1.00 4.67 C ATOM 41 C MET A 366 -10.493 -16.469 1.352 1.00 4.56 C ATOM 42 O MET A 366 -9.614 -15.762 1.842 1.00 4.71 O ATOM 43 CB MET A 366 -10.609 -16.146 -1.128 1.00 4.15 C ATOM 44 CG MET A 366 -11.428 -15.746 -2.345 1.00 3.72 C ATOM 45 SD MET A 366 -10.552 -16.029 -3.897 1.00 3.31 S ATOM 46 CE MET A 366 -9.113 -14.986 -3.673 1.00 2.76 C ATOM 0 H MET A 366 -11.381 -13.934 -0.361 1.00 5.51 H new ATOM 0 HA MET A 366 -12.276 -16.528 0.173 1.00 4.67 H new ATOM 0 HB2 MET A 366 -9.691 -15.559 -1.110 1.00 4.15 H new ATOM 0 HB3 MET A 366 -10.317 -17.192 -1.224 1.00 4.15 H new ATOM 0 HG2 MET A 366 -12.361 -16.309 -2.351 1.00 3.72 H new ATOM 0 HG3 MET A 366 -11.693 -14.691 -2.269 1.00 3.72 H new ATOM 0 HE1 MET A 366 -8.740 -14.667 -4.646 1.00 2.76 H new ATOM 0 HE2 MET A 366 -9.386 -14.110 -3.084 1.00 2.76 H new ATOM 0 HE3 MET A 366 -8.336 -15.545 -3.152 1.00 2.76 H new ATOM 56 N ASP A 367 -10.761 -17.704 1.773 1.00 4.67 N ATOM 57 CA ASP A 367 -10.029 -18.332 2.867 1.00 4.80 C ATOM 58 C ASP A 367 -10.188 -17.549 4.173 1.00 4.50 C ATOM 59 O ASP A 367 -9.823 -16.376 4.253 1.00 4.10 O ATOM 60 CB ASP A 367 -8.554 -18.451 2.500 1.00 4.92 C ATOM 61 CG ASP A 367 -8.314 -19.428 1.367 1.00 5.55 C ATOM 62 OD1 ASP A 367 -8.662 -20.617 1.527 1.00 6.06 O ATOM 63 OD2 ASP A 367 -7.778 -19.006 0.322 1.00 5.80 O ATOM 0 H ASP A 367 -11.488 -18.293 1.367 1.00 4.67 H new ATOM 0 HA ASP A 367 -10.445 -19.327 3.026 1.00 4.80 H new ATOM 0 HB2 ASP A 367 -8.174 -17.470 2.216 1.00 4.92 H new ATOM 0 HB3 ASP A 367 -7.990 -18.770 3.376 1.00 4.92 H new ATOM 68 N PRO A 368 -10.737 -18.193 5.221 1.00 4.98 N ATOM 69 CA PRO A 368 -10.941 -17.554 6.522 1.00 5.12 C ATOM 70 C PRO A 368 -9.681 -17.542 7.380 1.00 5.15 C ATOM 71 O PRO A 368 -9.715 -17.924 8.551 1.00 5.66 O ATOM 72 CB PRO A 368 -12.013 -18.432 7.163 1.00 5.90 C ATOM 73 CG PRO A 368 -11.761 -19.792 6.608 1.00 6.16 C ATOM 74 CD PRO A 368 -11.205 -19.594 5.219 1.00 5.69 C ATOM 0 HA PRO A 368 -11.217 -16.504 6.424 1.00 5.12 H new ATOM 0 HB2 PRO A 368 -11.934 -18.426 8.250 1.00 5.90 H new ATOM 0 HB3 PRO A 368 -13.015 -18.081 6.915 1.00 5.90 H new ATOM 0 HG2 PRO A 368 -11.057 -20.341 7.233 1.00 6.16 H new ATOM 0 HG3 PRO A 368 -12.682 -20.375 6.578 1.00 6.16 H new ATOM 0 HD2 PRO A 368 -10.390 -20.287 5.012 1.00 5.69 H new ATOM 0 HD3 PRO A 368 -11.966 -19.760 4.456 1.00 5.69 H new ATOM 82 N LEU A 369 -8.567 -17.110 6.799 1.00 4.84 N ATOM 83 CA LEU A 369 -7.305 -17.063 7.523 1.00 5.12 C ATOM 84 C LEU A 369 -6.354 -16.029 6.927 1.00 4.61 C ATOM 85 O LEU A 369 -5.572 -15.409 7.648 1.00 4.91 O ATOM 86 CB LEU A 369 -6.665 -18.454 7.537 1.00 5.80 C ATOM 87 CG LEU A 369 -6.343 -19.062 6.166 1.00 6.34 C ATOM 88 CD1 LEU A 369 -5.042 -18.501 5.610 1.00 6.73 C ATOM 89 CD2 LEU A 369 -6.271 -20.578 6.261 1.00 6.94 C ATOM 0 H LEU A 369 -8.513 -16.789 5.832 1.00 4.84 H new ATOM 0 HA LEU A 369 -7.508 -16.756 8.549 1.00 5.12 H new ATOM 0 HB2 LEU A 369 -5.742 -18.401 8.114 1.00 5.80 H new ATOM 0 HB3 LEU A 369 -7.333 -19.134 8.066 1.00 5.80 H new ATOM 0 HG LEU A 369 -7.146 -18.793 5.480 1.00 6.34 H new ATOM 0 HD11 LEU A 369 -4.839 -18.949 4.638 1.00 6.73 H new ATOM 0 HD12 LEU A 369 -5.129 -17.420 5.500 1.00 6.73 H new ATOM 0 HD13 LEU A 369 -4.225 -18.731 6.294 1.00 6.73 H new ATOM 0 HD21 LEU A 369 -6.042 -20.994 5.280 1.00 6.94 H new ATOM 0 HD22 LEU A 369 -5.490 -20.862 6.967 1.00 6.94 H new ATOM 0 HD23 LEU A 369 -7.229 -20.967 6.605 1.00 6.94 H new ATOM 101 N MET A 370 -6.419 -15.849 5.611 1.00 4.12 N ATOM 102 CA MET A 370 -5.558 -14.889 4.928 1.00 3.87 C ATOM 103 C MET A 370 -6.071 -13.459 5.097 1.00 3.02 C ATOM 104 O MET A 370 -6.078 -12.679 4.143 1.00 3.06 O ATOM 105 CB MET A 370 -5.452 -15.228 3.440 1.00 4.63 C ATOM 106 CG MET A 370 -6.795 -15.282 2.732 1.00 5.03 C ATOM 107 SD MET A 370 -6.633 -15.447 0.944 1.00 5.63 S ATOM 108 CE MET A 370 -5.804 -13.912 0.539 1.00 5.52 C ATOM 0 H MET A 370 -7.058 -16.354 4.997 1.00 4.12 H new ATOM 0 HA MET A 370 -4.570 -14.954 5.383 1.00 3.87 H new ATOM 0 HB2 MET A 370 -4.822 -14.485 2.951 1.00 4.63 H new ATOM 0 HB3 MET A 370 -4.953 -16.191 3.330 1.00 4.63 H new ATOM 0 HG2 MET A 370 -7.372 -16.122 3.119 1.00 5.03 H new ATOM 0 HG3 MET A 370 -7.358 -14.377 2.960 1.00 5.03 H new ATOM 0 HE1 MET A 370 -6.003 -13.654 -0.501 1.00 5.52 H new ATOM 0 HE2 MET A 370 -6.173 -13.117 1.187 1.00 5.52 H new ATOM 0 HE3 MET A 370 -4.730 -14.029 0.685 1.00 5.52 H new ATOM 118 N GLN A 371 -6.494 -13.117 6.311 1.00 2.80 N ATOM 119 CA GLN A 371 -6.998 -11.776 6.590 1.00 2.63 C ATOM 120 C GLN A 371 -5.955 -10.726 6.219 1.00 2.21 C ATOM 121 O GLN A 371 -4.776 -10.870 6.544 1.00 2.80 O ATOM 122 CB GLN A 371 -7.370 -11.643 8.070 1.00 3.46 C ATOM 123 CG GLN A 371 -8.423 -12.640 8.526 1.00 3.91 C ATOM 124 CD GLN A 371 -8.797 -12.466 9.985 1.00 4.54 C ATOM 125 OE1 GLN A 371 -7.951 -12.572 10.873 1.00 4.97 O ATOM 126 NE2 GLN A 371 -10.073 -12.198 10.240 1.00 5.04 N ATOM 0 H GLN A 371 -6.498 -13.747 7.114 1.00 2.80 H new ATOM 0 HA GLN A 371 -7.891 -11.613 5.986 1.00 2.63 H new ATOM 0 HB2 GLN A 371 -6.472 -11.774 8.675 1.00 3.46 H new ATOM 0 HB3 GLN A 371 -7.735 -10.633 8.255 1.00 3.46 H new ATOM 0 HG2 GLN A 371 -9.315 -12.528 7.910 1.00 3.91 H new ATOM 0 HG3 GLN A 371 -8.052 -13.653 8.368 1.00 3.91 H new ATOM 0 HE21 GLN A 371 -10.741 -12.119 9.473 1.00 5.04 H new ATOM 0 HE22 GLN A 371 -10.385 -12.071 11.203 1.00 5.04 H new ATOM 135 N LYS A 372 -6.391 -9.675 5.529 1.00 1.82 N ATOM 136 CA LYS A 372 -5.487 -8.608 5.106 1.00 1.77 C ATOM 137 C LYS A 372 -6.183 -7.250 5.123 1.00 1.50 C ATOM 138 O LYS A 372 -7.307 -7.115 4.642 1.00 1.89 O ATOM 139 CB LYS A 372 -4.951 -8.893 3.699 1.00 2.26 C ATOM 140 CG LYS A 372 -4.079 -10.136 3.609 1.00 2.93 C ATOM 141 CD LYS A 372 -2.792 -9.976 4.402 1.00 3.98 C ATOM 142 CE LYS A 372 -1.928 -11.223 4.323 1.00 4.77 C ATOM 143 NZ LYS A 372 -2.611 -12.410 4.907 1.00 5.39 N ATOM 0 H LYS A 372 -7.363 -9.539 5.251 1.00 1.82 H new ATOM 0 HA LYS A 372 -4.658 -8.578 5.812 1.00 1.77 H new ATOM 0 HB2 LYS A 372 -5.793 -9.002 3.016 1.00 2.26 H new ATOM 0 HB3 LYS A 372 -4.375 -8.032 3.360 1.00 2.26 H new ATOM 0 HG2 LYS A 372 -4.633 -10.997 3.983 1.00 2.93 H new ATOM 0 HG3 LYS A 372 -3.841 -10.339 2.565 1.00 2.93 H new ATOM 0 HD2 LYS A 372 -2.233 -9.121 4.021 1.00 3.98 H new ATOM 0 HD3 LYS A 372 -3.030 -9.763 5.444 1.00 3.98 H new ATOM 0 HE2 LYS A 372 -1.676 -11.425 3.282 1.00 4.77 H new ATOM 0 HE3 LYS A 372 -0.990 -11.048 4.850 1.00 4.77 H new ATOM 0 HZ1 LYS A 372 -1.937 -12.948 5.488 1.00 5.39 H new ATOM 0 HZ2 LYS A 372 -3.406 -12.096 5.500 1.00 5.39 H new ATOM 0 HZ3 LYS A 372 -2.968 -13.016 4.141 1.00 5.39 H new ATOM 157 N ILE A 373 -5.488 -6.249 5.662 1.00 1.42 N ATOM 158 CA ILE A 373 -6.001 -4.886 5.742 1.00 1.22 C ATOM 159 C ILE A 373 -7.332 -4.806 6.491 1.00 1.13 C ATOM 160 O ILE A 373 -8.287 -5.514 6.175 1.00 1.20 O ATOM 161 CB ILE A 373 -6.157 -4.291 4.335 1.00 1.16 C ATOM 162 CG1 ILE A 373 -4.793 -4.228 3.645 1.00 1.40 C ATOM 163 CG2 ILE A 373 -6.799 -2.911 4.399 1.00 1.26 C ATOM 164 CD1 ILE A 373 -3.838 -3.225 4.262 1.00 1.48 C ATOM 0 H ILE A 373 -4.554 -6.362 6.055 1.00 1.42 H new ATOM 0 HA ILE A 373 -5.273 -4.305 6.307 1.00 1.22 H new ATOM 0 HB ILE A 373 -6.815 -4.935 3.751 1.00 1.16 H new ATOM 0 HG12 ILE A 373 -4.335 -5.217 3.675 1.00 1.40 H new ATOM 0 HG13 ILE A 373 -4.939 -3.977 2.595 1.00 1.40 H new ATOM 0 HG21 ILE A 373 -6.899 -2.509 3.391 1.00 1.26 H new ATOM 0 HG22 ILE A 373 -7.784 -2.989 4.858 1.00 1.26 H new ATOM 0 HG23 ILE A 373 -6.173 -2.246 4.994 1.00 1.26 H new ATOM 0 HD11 ILE A 373 -2.894 -3.239 3.718 1.00 1.48 H new ATOM 0 HD12 ILE A 373 -4.273 -2.227 4.207 1.00 1.48 H new ATOM 0 HD13 ILE A 373 -3.660 -3.486 5.305 1.00 1.48 H new ATOM 176 N ASP A 374 -7.382 -3.926 7.485 1.00 1.16 N ATOM 177 CA ASP A 374 -8.586 -3.734 8.286 1.00 1.17 C ATOM 178 C ASP A 374 -9.270 -2.417 7.917 1.00 1.03 C ATOM 179 O ASP A 374 -9.272 -1.464 8.696 1.00 1.25 O ATOM 180 CB ASP A 374 -8.229 -3.750 9.774 1.00 1.40 C ATOM 181 CG ASP A 374 -7.499 -5.015 10.179 1.00 1.77 C ATOM 182 OD1 ASP A 374 -8.076 -6.111 10.018 1.00 2.04 O ATOM 183 OD2 ASP A 374 -6.351 -4.909 10.658 1.00 2.17 O ATOM 0 H ASP A 374 -6.599 -3.332 7.756 1.00 1.16 H new ATOM 0 HA ASP A 374 -9.279 -4.549 8.080 1.00 1.17 H new ATOM 0 HB2 ASP A 374 -7.607 -2.885 10.005 1.00 1.40 H new ATOM 0 HB3 ASP A 374 -9.140 -3.655 10.365 1.00 1.40 H new ATOM 188 N ILE A 375 -9.830 -2.372 6.711 1.00 0.84 N ATOM 189 CA ILE A 375 -10.500 -1.175 6.208 1.00 0.76 C ATOM 190 C ILE A 375 -11.691 -0.749 7.069 1.00 0.76 C ATOM 191 O ILE A 375 -11.579 0.162 7.887 1.00 0.79 O ATOM 192 CB ILE A 375 -10.986 -1.383 4.760 1.00 0.77 C ATOM 193 CG1 ILE A 375 -9.798 -1.457 3.803 1.00 0.82 C ATOM 194 CG2 ILE A 375 -11.944 -0.271 4.356 1.00 0.84 C ATOM 195 CD1 ILE A 375 -10.187 -1.780 2.376 1.00 0.92 C ATOM 0 H ILE A 375 -9.833 -3.157 6.059 1.00 0.84 H new ATOM 0 HA ILE A 375 -9.754 -0.381 6.246 1.00 0.76 H new ATOM 0 HB ILE A 375 -11.523 -2.330 4.705 1.00 0.77 H new ATOM 0 HG12 ILE A 375 -9.269 -0.504 3.820 1.00 0.82 H new ATOM 0 HG13 ILE A 375 -9.101 -2.215 4.161 1.00 0.82 H new ATOM 0 HG21 ILE A 375 -12.278 -0.433 3.331 1.00 0.84 H new ATOM 0 HG22 ILE A 375 -12.806 -0.273 5.023 1.00 0.84 H new ATOM 0 HG23 ILE A 375 -11.435 0.690 4.424 1.00 0.84 H new ATOM 0 HD11 ILE A 375 -9.292 -1.816 1.754 1.00 0.92 H new ATOM 0 HD12 ILE A 375 -10.689 -2.747 2.346 1.00 0.92 H new ATOM 0 HD13 ILE A 375 -10.860 -1.010 1.999 1.00 0.92 H new ATOM 207 N SER A 376 -12.836 -1.390 6.844 1.00 0.79 N ATOM 208 CA SER A 376 -14.066 -1.064 7.560 1.00 0.87 C ATOM 209 C SER A 376 -13.848 -1.013 9.062 1.00 0.96 C ATOM 210 O SER A 376 -14.544 -0.295 9.781 1.00 1.54 O ATOM 211 CB SER A 376 -15.159 -2.077 7.227 1.00 0.95 C ATOM 212 OG SER A 376 -15.443 -2.085 5.839 1.00 1.71 O ATOM 0 H SER A 376 -12.937 -2.145 6.165 1.00 0.79 H new ATOM 0 HA SER A 376 -14.380 -0.072 7.234 1.00 0.87 H new ATOM 0 HB2 SER A 376 -14.845 -3.072 7.543 1.00 0.95 H new ATOM 0 HB3 SER A 376 -16.064 -1.836 7.785 1.00 0.95 H new ATOM 0 HG SER A 376 -16.145 -2.743 5.652 1.00 1.71 H new ATOM 218 N GLU A 377 -12.888 -1.785 9.526 1.00 0.93 N ATOM 219 CA GLU A 377 -12.579 -1.847 10.945 1.00 1.03 C ATOM 220 C GLU A 377 -11.930 -0.552 11.424 1.00 0.87 C ATOM 221 O GLU A 377 -12.196 -0.086 12.532 1.00 0.93 O ATOM 222 CB GLU A 377 -11.659 -3.030 11.233 1.00 1.18 C ATOM 223 CG GLU A 377 -11.949 -4.245 10.366 1.00 1.28 C ATOM 224 CD GLU A 377 -11.260 -5.501 10.861 1.00 1.54 C ATOM 225 OE1 GLU A 377 -10.546 -5.423 11.882 1.00 1.90 O ATOM 226 OE2 GLU A 377 -11.433 -6.565 10.227 1.00 1.92 O ATOM 0 H GLU A 377 -12.304 -2.382 8.941 1.00 0.93 H new ATOM 0 HA GLU A 377 -13.515 -1.980 11.488 1.00 1.03 H new ATOM 0 HB2 GLU A 377 -10.625 -2.722 11.080 1.00 1.18 H new ATOM 0 HB3 GLU A 377 -11.756 -3.310 12.282 1.00 1.18 H new ATOM 0 HG2 GLU A 377 -13.025 -4.415 10.336 1.00 1.28 H new ATOM 0 HG3 GLU A 377 -11.630 -4.040 9.344 1.00 1.28 H new ATOM 233 N ASN A 378 -11.073 0.021 10.585 1.00 0.71 N ATOM 234 CA ASN A 378 -10.380 1.259 10.925 1.00 0.61 C ATOM 235 C ASN A 378 -10.158 2.136 9.697 1.00 0.58 C ATOM 236 O ASN A 378 -9.020 2.364 9.282 1.00 0.59 O ATOM 237 CB ASN A 378 -9.042 0.955 11.603 1.00 0.62 C ATOM 238 CG ASN A 378 -9.181 0.710 13.094 1.00 1.15 C ATOM 239 OD1 ASN A 378 -8.533 -0.177 13.651 1.00 1.16 O ATOM 240 ND2 ASN A 378 -9.996 1.523 13.759 1.00 2.14 N ATOM 0 H ASN A 378 -10.842 -0.352 9.664 1.00 0.71 H new ATOM 0 HA ASN A 378 -11.015 1.810 11.619 1.00 0.61 H new ATOM 0 HB2 ASN A 378 -8.594 0.078 11.136 1.00 0.62 H new ATOM 0 HB3 ASN A 378 -8.359 1.788 11.438 1.00 0.62 H new ATOM 0 HD21 ASN A 378 -10.102 1.425 14.769 1.00 2.14 H new ATOM 0 HD22 ASN A 378 -10.515 2.245 13.260 1.00 2.14 H new ATOM 247 N PRO A 379 -11.248 2.649 9.102 1.00 0.62 N ATOM 248 CA PRO A 379 -11.172 3.516 7.920 1.00 0.65 C ATOM 249 C PRO A 379 -10.236 4.701 8.133 1.00 0.61 C ATOM 250 O PRO A 379 -9.479 5.079 7.238 1.00 0.62 O ATOM 251 CB PRO A 379 -12.612 4.008 7.764 1.00 0.77 C ATOM 252 CG PRO A 379 -13.441 2.933 8.368 1.00 0.85 C ATOM 253 CD PRO A 379 -12.643 2.432 9.536 1.00 0.75 C ATOM 0 HA PRO A 379 -10.780 2.991 7.049 1.00 0.65 H new ATOM 0 HB2 PRO A 379 -12.764 4.960 8.274 1.00 0.77 H new ATOM 0 HB3 PRO A 379 -12.867 4.164 6.716 1.00 0.77 H new ATOM 0 HG2 PRO A 379 -14.410 3.316 8.688 1.00 0.85 H new ATOM 0 HG3 PRO A 379 -13.634 2.135 7.651 1.00 0.85 H new ATOM 0 HD2 PRO A 379 -12.872 2.983 10.448 1.00 0.75 H new ATOM 0 HD3 PRO A 379 -12.843 1.380 9.740 1.00 0.75 H new ATOM 261 N ASP A 380 -10.299 5.283 9.326 1.00 0.62 N ATOM 262 CA ASP A 380 -9.465 6.430 9.671 1.00 0.64 C ATOM 263 C ASP A 380 -7.990 6.049 9.717 1.00 0.55 C ATOM 264 O ASP A 380 -7.126 6.837 9.330 1.00 0.55 O ATOM 265 CB ASP A 380 -9.895 7.012 11.020 1.00 0.75 C ATOM 266 CG ASP A 380 -11.333 7.489 11.015 1.00 0.86 C ATOM 267 OD1 ASP A 380 -12.234 6.657 10.777 1.00 1.20 O ATOM 268 OD2 ASP A 380 -11.560 8.696 11.248 1.00 1.21 O ATOM 0 H ASP A 380 -10.922 4.978 10.074 1.00 0.62 H new ATOM 0 HA ASP A 380 -9.598 7.184 8.895 1.00 0.64 H new ATOM 0 HB2 ASP A 380 -9.769 6.256 11.795 1.00 0.75 H new ATOM 0 HB3 ASP A 380 -9.240 7.845 11.278 1.00 0.75 H new ATOM 273 N LYS A 381 -7.707 4.843 10.203 1.00 0.51 N ATOM 274 CA LYS A 381 -6.333 4.361 10.312 1.00 0.47 C ATOM 275 C LYS A 381 -5.587 4.521 8.989 1.00 0.39 C ATOM 276 O LYS A 381 -6.041 4.051 7.946 1.00 0.37 O ATOM 277 CB LYS A 381 -6.320 2.897 10.743 1.00 0.50 C ATOM 278 CG LYS A 381 -4.922 2.349 10.961 1.00 0.52 C ATOM 279 CD LYS A 381 -4.957 0.922 11.475 1.00 0.59 C ATOM 280 CE LYS A 381 -3.554 0.380 11.682 1.00 0.67 C ATOM 281 NZ LYS A 381 -2.788 1.185 12.674 1.00 1.66 N ATOM 0 H LYS A 381 -8.412 4.181 10.528 1.00 0.51 H new ATOM 0 HA LYS A 381 -5.824 4.962 11.066 1.00 0.47 H new ATOM 0 HB2 LYS A 381 -6.892 2.792 11.665 1.00 0.50 H new ATOM 0 HB3 LYS A 381 -6.824 2.298 9.985 1.00 0.50 H new ATOM 0 HG2 LYS A 381 -4.366 2.386 10.024 1.00 0.52 H new ATOM 0 HG3 LYS A 381 -4.390 2.980 11.673 1.00 0.52 H new ATOM 0 HD2 LYS A 381 -5.507 0.885 12.415 1.00 0.59 H new ATOM 0 HD3 LYS A 381 -5.493 0.290 10.767 1.00 0.59 H new ATOM 0 HE2 LYS A 381 -3.611 -0.655 12.020 1.00 0.67 H new ATOM 0 HE3 LYS A 381 -3.023 0.375 10.730 1.00 0.67 H new ATOM 0 HZ1 LYS A 381 -1.947 0.653 12.978 1.00 1.66 H new ATOM 0 HZ2 LYS A 381 -2.492 2.082 12.239 1.00 1.66 H new ATOM 0 HZ3 LYS A 381 -3.389 1.383 13.499 1.00 1.66 H new ATOM 295 N ILE A 382 -4.441 5.195 9.044 1.00 0.40 N ATOM 296 CA ILE A 382 -3.628 5.430 7.857 1.00 0.35 C ATOM 297 C ILE A 382 -2.664 4.272 7.601 1.00 0.34 C ATOM 298 O ILE A 382 -1.975 3.815 8.513 1.00 0.41 O ATOM 299 CB ILE A 382 -2.813 6.732 7.994 1.00 0.37 C ATOM 300 CG1 ILE A 382 -3.731 7.906 8.350 1.00 0.38 C ATOM 301 CG2 ILE A 382 -2.049 7.016 6.710 1.00 0.41 C ATOM 302 CD1 ILE A 382 -4.815 8.173 7.327 1.00 0.37 C ATOM 0 H ILE A 382 -4.055 5.589 9.902 1.00 0.40 H new ATOM 0 HA ILE A 382 -4.316 5.515 7.016 1.00 0.35 H new ATOM 0 HB ILE A 382 -2.092 6.607 8.802 1.00 0.37 H new ATOM 0 HG12 ILE A 382 -4.197 7.709 9.315 1.00 0.38 H new ATOM 0 HG13 ILE A 382 -3.126 8.805 8.466 1.00 0.38 H new ATOM 0 HG21 ILE A 382 -1.479 7.938 6.822 1.00 0.41 H new ATOM 0 HG22 ILE A 382 -1.368 6.191 6.502 1.00 0.41 H new ATOM 0 HG23 ILE A 382 -2.752 7.123 5.884 1.00 0.41 H new ATOM 0 HD11 ILE A 382 -5.422 9.018 7.652 1.00 0.37 H new ATOM 0 HD12 ILE A 382 -4.358 8.403 6.364 1.00 0.37 H new ATOM 0 HD13 ILE A 382 -5.447 7.290 7.227 1.00 0.37 H new ATOM 314 N TYR A 383 -2.611 3.812 6.354 1.00 0.30 N ATOM 315 CA TYR A 383 -1.717 2.718 5.981 1.00 0.30 C ATOM 316 C TYR A 383 -0.548 3.246 5.154 1.00 0.28 C ATOM 317 O TYR A 383 -0.712 4.160 4.352 1.00 0.25 O ATOM 318 CB TYR A 383 -2.470 1.647 5.183 1.00 0.32 C ATOM 319 CG TYR A 383 -3.622 1.010 5.932 1.00 0.36 C ATOM 320 CD1 TYR A 383 -4.735 1.755 6.305 1.00 0.40 C ATOM 321 CD2 TYR A 383 -3.595 -0.339 6.264 1.00 0.48 C ATOM 322 CE1 TYR A 383 -5.787 1.174 6.986 1.00 0.48 C ATOM 323 CE2 TYR A 383 -4.645 -0.927 6.945 1.00 0.55 C ATOM 324 CZ TYR A 383 -5.737 -0.166 7.303 1.00 0.52 C ATOM 325 OH TYR A 383 -6.783 -0.748 7.981 1.00 0.63 O ATOM 0 H TYR A 383 -3.174 4.178 5.586 1.00 0.30 H new ATOM 0 HA TYR A 383 -1.334 2.268 6.897 1.00 0.30 H new ATOM 0 HB2 TYR A 383 -2.851 2.095 4.265 1.00 0.32 H new ATOM 0 HB3 TYR A 383 -1.767 0.868 4.889 1.00 0.32 H new ATOM 0 HD1 TYR A 383 -4.778 2.806 6.058 1.00 0.40 H new ATOM 0 HD2 TYR A 383 -2.740 -0.938 5.986 1.00 0.48 H new ATOM 0 HE1 TYR A 383 -6.644 1.767 7.269 1.00 0.48 H new ATOM 0 HE2 TYR A 383 -4.610 -1.977 7.195 1.00 0.55 H new ATOM 0 HH TYR A 383 -7.621 -0.305 7.732 1.00 0.63 H new ATOM 335 N PHE A 384 0.631 2.667 5.352 1.00 0.31 N ATOM 336 CA PHE A 384 1.818 3.090 4.613 1.00 0.30 C ATOM 337 C PHE A 384 1.995 2.248 3.351 1.00 0.28 C ATOM 338 O PHE A 384 1.798 1.034 3.374 1.00 0.33 O ATOM 339 CB PHE A 384 3.067 2.990 5.494 1.00 0.40 C ATOM 340 CG PHE A 384 3.018 3.853 6.727 1.00 0.48 C ATOM 341 CD1 PHE A 384 2.050 3.640 7.696 1.00 0.83 C ATOM 342 CD2 PHE A 384 3.937 4.873 6.921 1.00 0.57 C ATOM 343 CE1 PHE A 384 1.997 4.428 8.830 1.00 0.96 C ATOM 344 CE2 PHE A 384 3.890 5.665 8.053 1.00 0.64 C ATOM 345 CZ PHE A 384 2.937 5.453 9.001 1.00 0.74 C ATOM 0 H PHE A 384 0.792 1.908 6.014 1.00 0.31 H new ATOM 0 HA PHE A 384 1.682 4.131 4.320 1.00 0.30 H new ATOM 0 HB2 PHE A 384 3.204 1.951 5.795 1.00 0.40 H new ATOM 0 HB3 PHE A 384 3.939 3.268 4.903 1.00 0.40 H new ATOM 0 HD1 PHE A 384 1.328 2.848 7.563 1.00 0.83 H new ATOM 0 HD2 PHE A 384 4.700 5.051 6.178 1.00 0.57 H new ATOM 0 HE1 PHE A 384 1.237 4.255 9.578 1.00 0.96 H new ATOM 0 HE2 PHE A 384 4.613 6.456 8.186 1.00 0.64 H new ATOM 0 HZ PHE A 384 2.905 6.074 9.884 1.00 0.74 H new ATOM 355 N ILE A 385 2.360 2.900 2.247 1.00 0.26 N ATOM 356 CA ILE A 385 2.551 2.203 0.979 1.00 0.27 C ATOM 357 C ILE A 385 3.957 2.428 0.430 1.00 0.24 C ATOM 358 O ILE A 385 4.462 3.549 0.428 1.00 0.30 O ATOM 359 CB ILE A 385 1.533 2.654 -0.092 1.00 0.33 C ATOM 360 CG1 ILE A 385 0.100 2.567 0.438 1.00 0.32 C ATOM 361 CG2 ILE A 385 1.685 1.810 -1.348 1.00 0.49 C ATOM 362 CD1 ILE A 385 -0.260 3.670 1.406 1.00 0.32 C ATOM 0 H ILE A 385 2.528 3.905 2.207 1.00 0.26 H new ATOM 0 HA ILE A 385 2.399 1.145 1.192 1.00 0.27 H new ATOM 0 HB ILE A 385 1.738 3.696 -0.338 1.00 0.33 H new ATOM 0 HG12 ILE A 385 -0.591 2.595 -0.404 1.00 0.32 H new ATOM 0 HG13 ILE A 385 -0.037 1.605 0.931 1.00 0.32 H new ATOM 0 HG21 ILE A 385 0.962 2.137 -2.096 1.00 0.49 H new ATOM 0 HG22 ILE A 385 2.694 1.925 -1.744 1.00 0.49 H new ATOM 0 HG23 ILE A 385 1.508 0.762 -1.106 1.00 0.49 H new ATOM 0 HD11 ILE A 385 -1.290 3.541 1.738 1.00 0.32 H new ATOM 0 HD12 ILE A 385 0.406 3.630 2.268 1.00 0.32 H new ATOM 0 HD13 ILE A 385 -0.156 4.636 0.912 1.00 0.32 H new ATOM 374 N ARG A 386 4.578 1.352 -0.041 1.00 0.29 N ATOM 375 CA ARG A 386 5.923 1.426 -0.601 1.00 0.30 C ATOM 376 C ARG A 386 5.881 1.641 -2.112 1.00 0.33 C ATOM 377 O ARG A 386 5.321 0.826 -2.845 1.00 0.42 O ATOM 378 CB ARG A 386 6.687 0.137 -0.293 1.00 0.38 C ATOM 379 CG ARG A 386 8.087 0.104 -0.886 1.00 0.50 C ATOM 380 CD ARG A 386 8.765 -1.236 -0.647 1.00 1.02 C ATOM 381 NE ARG A 386 10.101 -1.289 -1.239 1.00 1.40 N ATOM 382 CZ ARG A 386 10.339 -1.242 -2.549 1.00 1.86 C ATOM 383 NH1 ARG A 386 9.336 -1.186 -3.416 1.00 2.42 N ATOM 384 NH2 ARG A 386 11.588 -1.262 -2.995 1.00 2.39 N ATOM 0 H ARG A 386 4.171 0.417 -0.046 1.00 0.29 H new ATOM 0 HA ARG A 386 6.431 2.275 -0.144 1.00 0.30 H new ATOM 0 HB2 ARG A 386 6.756 0.015 0.788 1.00 0.38 H new ATOM 0 HB3 ARG A 386 6.120 -0.712 -0.674 1.00 0.38 H new ATOM 0 HG2 ARG A 386 8.034 0.300 -1.957 1.00 0.50 H new ATOM 0 HG3 ARG A 386 8.688 0.900 -0.446 1.00 0.50 H new ATOM 0 HD2 ARG A 386 8.836 -1.420 0.425 1.00 1.02 H new ATOM 0 HD3 ARG A 386 8.151 -2.033 -1.067 1.00 1.02 H new ATOM 0 HE ARG A 386 10.900 -1.367 -0.610 1.00 1.40 H new ATOM 0 HH11 ARG A 386 8.372 -1.179 -3.081 1.00 2.42 H new ATOM 0 HH12 ARG A 386 9.529 -1.150 -4.417 1.00 2.42 H new ATOM 0 HH21 ARG A 386 12.364 -1.313 -2.335 1.00 2.39 H new ATOM 0 HH22 ARG A 386 11.772 -1.226 -3.998 1.00 2.39 H new ATOM 398 N ARG A 387 6.494 2.726 -2.575 1.00 0.41 N ATOM 399 CA ARG A 387 6.537 3.021 -4.003 1.00 0.51 C ATOM 400 C ARG A 387 7.615 2.187 -4.686 1.00 0.49 C ATOM 401 O ARG A 387 8.561 1.734 -4.040 1.00 0.47 O ATOM 402 CB ARG A 387 6.785 4.508 -4.251 1.00 0.63 C ATOM 403 CG ARG A 387 5.664 5.402 -3.749 1.00 0.84 C ATOM 404 CD ARG A 387 5.809 6.823 -4.269 1.00 0.94 C ATOM 405 NE ARG A 387 5.759 6.877 -5.728 1.00 1.32 N ATOM 406 CZ ARG A 387 5.840 8.004 -6.429 1.00 1.79 C ATOM 407 NH1 ARG A 387 5.967 9.169 -5.808 1.00 2.30 N ATOM 408 NH2 ARG A 387 5.791 7.965 -7.754 1.00 2.25 N ATOM 0 H ARG A 387 6.965 3.412 -1.986 1.00 0.41 H new ATOM 0 HA ARG A 387 5.567 2.762 -4.428 1.00 0.51 H new ATOM 0 HB2 ARG A 387 7.716 4.799 -3.765 1.00 0.63 H new ATOM 0 HB3 ARG A 387 6.919 4.672 -5.320 1.00 0.63 H new ATOM 0 HG2 ARG A 387 4.703 4.994 -4.064 1.00 0.84 H new ATOM 0 HG3 ARG A 387 5.664 5.411 -2.659 1.00 0.84 H new ATOM 0 HD2 ARG A 387 5.014 7.444 -3.855 1.00 0.94 H new ATOM 0 HD3 ARG A 387 6.754 7.242 -3.922 1.00 0.94 H new ATOM 0 HE ARG A 387 5.656 6.000 -6.238 1.00 1.32 H new ATOM 0 HH11 ARG A 387 6.003 9.203 -4.789 1.00 2.30 H new ATOM 0 HH12 ARG A 387 6.029 10.031 -6.349 1.00 2.30 H new ATOM 0 HH21 ARG A 387 5.691 7.071 -8.235 1.00 2.25 H new ATOM 0 HH22 ARG A 387 5.853 8.829 -8.292 1.00 2.25 H new ATOM 422 N GLU A 388 7.464 1.980 -5.991 1.00 0.64 N ATOM 423 CA GLU A 388 8.427 1.194 -6.756 1.00 0.69 C ATOM 424 C GLU A 388 9.847 1.692 -6.523 1.00 0.61 C ATOM 425 O GLU A 388 10.762 0.901 -6.296 1.00 0.63 O ATOM 426 CB GLU A 388 8.091 1.250 -8.247 1.00 0.88 C ATOM 427 CG GLU A 388 6.695 0.743 -8.577 1.00 1.58 C ATOM 428 CD GLU A 388 6.377 0.828 -10.057 1.00 2.20 C ATOM 429 OE1 GLU A 388 7.100 0.197 -10.856 1.00 2.82 O ATOM 430 OE2 GLU A 388 5.406 1.527 -10.416 1.00 2.65 O ATOM 0 H GLU A 388 6.686 2.345 -6.540 1.00 0.64 H new ATOM 0 HA GLU A 388 8.366 0.161 -6.415 1.00 0.69 H new ATOM 0 HB2 GLU A 388 8.186 2.279 -8.594 1.00 0.88 H new ATOM 0 HB3 GLU A 388 8.823 0.659 -8.798 1.00 0.88 H new ATOM 0 HG2 GLU A 388 6.602 -0.292 -8.248 1.00 1.58 H new ATOM 0 HG3 GLU A 388 5.961 1.323 -8.018 1.00 1.58 H new ATOM 437 N ASP A 389 10.026 3.008 -6.567 1.00 0.65 N ATOM 438 CA ASP A 389 11.335 3.606 -6.345 1.00 0.69 C ATOM 439 C ASP A 389 11.859 3.234 -4.961 1.00 0.64 C ATOM 440 O ASP A 389 13.064 3.077 -4.762 1.00 0.91 O ATOM 441 CB ASP A 389 11.264 5.128 -6.500 1.00 0.81 C ATOM 442 CG ASP A 389 10.181 5.752 -5.643 1.00 0.80 C ATOM 443 OD1 ASP A 389 10.235 5.589 -4.407 1.00 1.23 O ATOM 444 OD2 ASP A 389 9.277 6.399 -6.207 1.00 1.06 O ATOM 0 H ASP A 389 9.281 3.679 -6.754 1.00 0.65 H new ATOM 0 HA ASP A 389 12.025 3.217 -7.094 1.00 0.69 H new ATOM 0 HB2 ASP A 389 12.228 5.562 -6.234 1.00 0.81 H new ATOM 0 HB3 ASP A 389 11.082 5.375 -7.546 1.00 0.81 H new ATOM 449 N GLY A 390 10.938 3.083 -4.012 1.00 0.55 N ATOM 450 CA GLY A 390 11.309 2.719 -2.657 1.00 0.53 C ATOM 451 C GLY A 390 11.058 3.834 -1.658 1.00 0.55 C ATOM 452 O GLY A 390 11.841 4.031 -0.728 1.00 1.03 O ATOM 0 H GLY A 390 9.936 3.207 -4.160 1.00 0.55 H new ATOM 0 HA2 GLY A 390 10.747 1.835 -2.356 1.00 0.53 H new ATOM 0 HA3 GLY A 390 12.365 2.448 -2.635 1.00 0.53 H new ATOM 456 N THR A 391 9.960 4.561 -1.846 1.00 0.57 N ATOM 457 CA THR A 391 9.604 5.657 -0.951 1.00 0.54 C ATOM 458 C THR A 391 8.240 5.429 -0.310 1.00 0.41 C ATOM 459 O THR A 391 7.211 5.452 -0.988 1.00 0.44 O ATOM 460 CB THR A 391 9.603 7.014 -1.678 1.00 0.71 C ATOM 461 OG1 THR A 391 8.710 6.974 -2.797 1.00 0.98 O ATOM 462 CG2 THR A 391 11.004 7.377 -2.145 1.00 0.88 C ATOM 0 H THR A 391 9.302 4.411 -2.610 1.00 0.57 H new ATOM 0 HA THR A 391 10.367 5.680 -0.173 1.00 0.54 H new ATOM 0 HB THR A 391 9.264 7.777 -0.977 1.00 0.71 H new ATOM 0 HG1 THR A 391 9.172 6.589 -3.571 1.00 0.98 H new ATOM 0 HG21 THR A 391 10.979 8.339 -2.656 1.00 0.88 H new ATOM 0 HG22 THR A 391 11.670 7.440 -1.284 1.00 0.88 H new ATOM 0 HG23 THR A 391 11.369 6.612 -2.830 1.00 0.88 H new ATOM 470 N VAL A 392 8.240 5.205 1.000 1.00 0.37 N ATOM 471 CA VAL A 392 7.007 4.972 1.741 1.00 0.33 C ATOM 472 C VAL A 392 6.165 6.244 1.827 1.00 0.32 C ATOM 473 O VAL A 392 6.692 7.336 2.037 1.00 0.41 O ATOM 474 CB VAL A 392 7.301 4.460 3.164 1.00 0.45 C ATOM 475 CG1 VAL A 392 6.012 4.273 3.950 1.00 0.55 C ATOM 476 CG2 VAL A 392 8.089 3.160 3.108 1.00 0.52 C ATOM 0 H VAL A 392 9.084 5.180 1.572 1.00 0.37 H new ATOM 0 HA VAL A 392 6.447 4.211 1.198 1.00 0.33 H new ATOM 0 HB VAL A 392 7.904 5.208 3.679 1.00 0.45 H new ATOM 0 HG11 VAL A 392 6.246 3.911 4.951 1.00 0.55 H new ATOM 0 HG12 VAL A 392 5.488 5.226 4.022 1.00 0.55 H new ATOM 0 HG13 VAL A 392 5.377 3.548 3.441 1.00 0.55 H new ATOM 0 HG21 VAL A 392 8.289 2.812 4.121 1.00 0.52 H new ATOM 0 HG22 VAL A 392 7.511 2.407 2.573 1.00 0.52 H new ATOM 0 HG23 VAL A 392 9.033 3.329 2.590 1.00 0.52 H new ATOM 486 N HIS A 393 4.852 6.090 1.664 1.00 0.29 N ATOM 487 CA HIS A 393 3.927 7.218 1.721 1.00 0.31 C ATOM 488 C HIS A 393 2.565 6.781 2.250 1.00 0.27 C ATOM 489 O HIS A 393 2.064 5.714 1.898 1.00 0.26 O ATOM 490 CB HIS A 393 3.766 7.852 0.338 1.00 0.37 C ATOM 491 CG HIS A 393 4.994 8.555 -0.148 1.00 0.92 C ATOM 492 ND1 HIS A 393 5.526 9.661 0.480 1.00 1.92 N ATOM 493 CD2 HIS A 393 5.800 8.303 -1.207 1.00 0.94 C ATOM 494 CE1 HIS A 393 6.604 10.061 -0.171 1.00 2.43 C ATOM 495 NE2 HIS A 393 6.792 9.253 -1.198 1.00 1.82 N ATOM 0 H HIS A 393 4.404 5.190 1.491 1.00 0.29 H new ATOM 0 HA HIS A 393 4.345 7.957 2.404 1.00 0.31 H new ATOM 0 HB2 HIS A 393 3.495 7.076 -0.378 1.00 0.37 H new ATOM 0 HB3 HIS A 393 2.939 8.562 0.367 1.00 0.37 H new ATOM 0 HD2 HIS A 393 5.684 7.504 -1.925 1.00 0.94 H new ATOM 0 HE1 HIS A 393 7.225 10.905 0.092 1.00 2.43 H new ATOM 0 HE2 HIS A 393 7.551 9.323 -1.875 1.00 1.82 H new ATOM 504 N ARG A 394 1.978 7.612 3.104 1.00 0.29 N ATOM 505 CA ARG A 394 0.678 7.321 3.699 1.00 0.28 C ATOM 506 C ARG A 394 -0.397 7.102 2.635 1.00 0.26 C ATOM 507 O ARG A 394 -0.331 7.661 1.541 1.00 0.32 O ATOM 508 CB ARG A 394 0.263 8.448 4.644 1.00 0.35 C ATOM 509 CG ARG A 394 1.201 8.616 5.829 1.00 0.42 C ATOM 510 CD ARG A 394 0.667 9.632 6.826 1.00 0.52 C ATOM 511 NE ARG A 394 0.534 10.965 6.239 1.00 1.34 N ATOM 512 CZ ARG A 394 1.564 11.693 5.814 1.00 2.01 C ATOM 513 NH1 ARG A 394 2.802 11.230 5.926 1.00 2.41 N ATOM 514 NH2 ARG A 394 1.355 12.887 5.279 1.00 2.96 N ATOM 0 H ARG A 394 2.385 8.499 3.402 1.00 0.29 H new ATOM 0 HA ARG A 394 0.776 6.395 4.266 1.00 0.28 H new ATOM 0 HB2 ARG A 394 0.222 9.384 4.086 1.00 0.35 H new ATOM 0 HB3 ARG A 394 -0.744 8.252 5.012 1.00 0.35 H new ATOM 0 HG2 ARG A 394 1.337 7.655 6.325 1.00 0.42 H new ATOM 0 HG3 ARG A 394 2.182 8.933 5.475 1.00 0.42 H new ATOM 0 HD2 ARG A 394 -0.304 9.301 7.195 1.00 0.52 H new ATOM 0 HD3 ARG A 394 1.335 9.681 7.686 1.00 0.52 H new ATOM 0 HE ARG A 394 -0.402 11.360 6.150 1.00 1.34 H new ATOM 0 HH11 ARG A 394 2.968 10.312 6.339 1.00 2.41 H new ATOM 0 HH12 ARG A 394 3.588 11.792 5.599 1.00 2.41 H new ATOM 0 HH21 ARG A 394 0.405 13.248 5.193 1.00 2.96 H new ATOM 0 HH22 ARG A 394 2.144 13.445 4.953 1.00 2.96 H new ATOM 528 N GLY A 395 -1.382 6.274 2.975 1.00 0.23 N ATOM 529 CA GLY A 395 -2.468 5.969 2.059 1.00 0.25 C ATOM 530 C GLY A 395 -3.523 5.086 2.706 1.00 0.23 C ATOM 531 O GLY A 395 -3.194 4.092 3.354 1.00 0.26 O ATOM 0 H GLY A 395 -1.447 5.805 3.878 1.00 0.23 H new ATOM 0 HA2 GLY A 395 -2.929 6.897 1.720 1.00 0.25 H new ATOM 0 HA3 GLY A 395 -2.069 5.470 1.176 1.00 0.25 H new ATOM 535 N GLN A 396 -4.792 5.452 2.542 1.00 0.29 N ATOM 536 CA GLN A 396 -5.892 4.688 3.130 1.00 0.34 C ATOM 537 C GLN A 396 -6.481 3.684 2.139 1.00 0.35 C ATOM 538 O GLN A 396 -6.825 4.040 1.013 1.00 0.46 O ATOM 539 CB GLN A 396 -6.993 5.639 3.604 1.00 0.43 C ATOM 540 CG GLN A 396 -6.513 6.679 4.602 1.00 0.50 C ATOM 541 CD GLN A 396 -7.597 7.664 4.983 1.00 0.64 C ATOM 542 OE1 GLN A 396 -8.261 8.243 4.123 1.00 1.28 O ATOM 543 NE2 GLN A 396 -7.764 7.871 6.278 1.00 0.61 N ATOM 0 H GLN A 396 -5.085 6.271 2.008 1.00 0.29 H new ATOM 0 HA GLN A 396 -5.489 4.131 3.976 1.00 0.34 H new ATOM 0 HB2 GLN A 396 -7.419 6.148 2.739 1.00 0.43 H new ATOM 0 HB3 GLN A 396 -7.794 5.056 4.057 1.00 0.43 H new ATOM 0 HG2 GLN A 396 -6.152 6.177 5.499 1.00 0.50 H new ATOM 0 HG3 GLN A 396 -5.668 7.221 4.178 1.00 0.50 H new ATOM 0 HE21 GLN A 396 -7.189 7.367 6.953 1.00 0.61 H new ATOM 0 HE22 GLN A 396 -8.468 8.535 6.602 1.00 0.61 H new ATOM 552 N VAL A 397 -6.618 2.433 2.576 1.00 0.33 N ATOM 553 CA VAL A 397 -7.194 1.387 1.735 1.00 0.33 C ATOM 554 C VAL A 397 -8.715 1.399 1.858 1.00 0.33 C ATOM 555 O VAL A 397 -9.250 1.464 2.965 1.00 0.37 O ATOM 556 CB VAL A 397 -6.668 -0.011 2.119 1.00 0.38 C ATOM 557 CG1 VAL A 397 -7.122 -1.052 1.110 1.00 0.73 C ATOM 558 CG2 VAL A 397 -5.154 -0.001 2.240 1.00 0.83 C ATOM 0 H VAL A 397 -6.338 2.120 3.506 1.00 0.33 H new ATOM 0 HA VAL A 397 -6.897 1.594 0.707 1.00 0.33 H new ATOM 0 HB VAL A 397 -7.084 -0.277 3.091 1.00 0.38 H new ATOM 0 HG11 VAL A 397 -6.740 -2.031 1.400 1.00 0.73 H new ATOM 0 HG12 VAL A 397 -8.211 -1.081 1.083 1.00 0.73 H new ATOM 0 HG13 VAL A 397 -6.741 -0.792 0.122 1.00 0.73 H new ATOM 0 HG21 VAL A 397 -4.804 -0.997 2.512 1.00 0.83 H new ATOM 0 HG22 VAL A 397 -4.715 0.290 1.286 1.00 0.83 H new ATOM 0 HG23 VAL A 397 -4.855 0.711 3.009 1.00 0.83 H new ATOM 568 N LEU A 398 -9.413 1.357 0.727 1.00 0.36 N ATOM 569 CA LEU A 398 -10.873 1.385 0.740 1.00 0.40 C ATOM 570 C LEU A 398 -11.489 0.154 0.078 1.00 0.41 C ATOM 571 O LEU A 398 -12.491 -0.376 0.558 1.00 0.47 O ATOM 572 CB LEU A 398 -11.381 2.652 0.049 1.00 0.46 C ATOM 573 CG LEU A 398 -10.944 3.969 0.696 1.00 0.49 C ATOM 574 CD1 LEU A 398 -11.413 5.151 -0.136 1.00 1.16 C ATOM 575 CD2 LEU A 398 -11.482 4.072 2.116 1.00 1.45 C ATOM 0 H LEU A 398 -8.997 1.304 -0.203 1.00 0.36 H new ATOM 0 HA LEU A 398 -11.182 1.381 1.785 1.00 0.40 H new ATOM 0 HB2 LEU A 398 -11.039 2.644 -0.986 1.00 0.46 H new ATOM 0 HB3 LEU A 398 -12.470 2.622 0.025 1.00 0.46 H new ATOM 0 HG LEU A 398 -9.855 3.986 0.739 1.00 0.49 H new ATOM 0 HD11 LEU A 398 -11.094 6.079 0.338 1.00 1.16 H new ATOM 0 HD12 LEU A 398 -10.982 5.087 -1.135 1.00 1.16 H new ATOM 0 HD13 LEU A 398 -12.500 5.136 -0.209 1.00 1.16 H new ATOM 0 HD21 LEU A 398 -11.161 5.015 2.559 1.00 1.45 H new ATOM 0 HD22 LEU A 398 -12.571 4.033 2.096 1.00 1.45 H new ATOM 0 HD23 LEU A 398 -11.100 3.243 2.711 1.00 1.45 H new ATOM 587 N GLN A 399 -10.911 -0.286 -1.037 1.00 0.39 N ATOM 588 CA GLN A 399 -11.444 -1.438 -1.762 1.00 0.43 C ATOM 589 C GLN A 399 -10.344 -2.388 -2.226 1.00 0.38 C ATOM 590 O GLN A 399 -9.157 -2.127 -2.042 1.00 0.35 O ATOM 591 CB GLN A 399 -12.254 -0.970 -2.973 1.00 0.49 C ATOM 592 CG GLN A 399 -13.478 -0.143 -2.611 1.00 0.60 C ATOM 593 CD GLN A 399 -14.508 -0.933 -1.828 1.00 1.36 C ATOM 594 OE1 GLN A 399 -14.986 -1.972 -2.284 1.00 2.08 O ATOM 595 NE2 GLN A 399 -14.860 -0.443 -0.646 1.00 2.04 N ATOM 0 H GLN A 399 -10.081 0.133 -1.456 1.00 0.39 H new ATOM 0 HA GLN A 399 -12.086 -1.982 -1.070 1.00 0.43 H new ATOM 0 HB2 GLN A 399 -11.609 -0.381 -3.624 1.00 0.49 H new ATOM 0 HB3 GLN A 399 -12.572 -1.842 -3.544 1.00 0.49 H new ATOM 0 HG2 GLN A 399 -13.167 0.721 -2.025 1.00 0.60 H new ATOM 0 HG3 GLN A 399 -13.936 0.239 -3.523 1.00 0.60 H new ATOM 0 HE21 GLN A 399 -14.439 0.422 -0.306 1.00 2.04 H new ATOM 0 HE22 GLN A 399 -15.552 -0.931 -0.077 1.00 2.04 H new ATOM 604 N SER A 400 -10.765 -3.496 -2.829 1.00 0.42 N ATOM 605 CA SER A 400 -9.848 -4.510 -3.337 1.00 0.41 C ATOM 606 C SER A 400 -10.538 -5.344 -4.412 1.00 0.47 C ATOM 607 O SER A 400 -11.721 -5.662 -4.290 1.00 0.54 O ATOM 608 CB SER A 400 -9.366 -5.410 -2.197 1.00 0.47 C ATOM 609 OG SER A 400 -10.449 -6.104 -1.603 1.00 0.56 O ATOM 0 H SER A 400 -11.750 -3.715 -2.979 1.00 0.42 H new ATOM 0 HA SER A 400 -8.983 -4.013 -3.776 1.00 0.41 H new ATOM 0 HB2 SER A 400 -8.637 -6.125 -2.577 1.00 0.47 H new ATOM 0 HB3 SER A 400 -8.859 -4.808 -1.443 1.00 0.47 H new ATOM 0 HG SER A 400 -10.115 -6.673 -0.879 1.00 0.56 H new ATOM 615 N ARG A 401 -9.811 -5.682 -5.476 1.00 0.51 N ATOM 616 CA ARG A 401 -10.394 -6.459 -6.567 1.00 0.60 C ATOM 617 C ARG A 401 -9.405 -7.471 -7.142 1.00 0.73 C ATOM 618 O ARG A 401 -8.237 -7.159 -7.368 1.00 0.86 O ATOM 619 CB ARG A 401 -10.864 -5.522 -7.685 1.00 0.65 C ATOM 620 CG ARG A 401 -9.723 -4.905 -8.481 1.00 0.72 C ATOM 621 CD ARG A 401 -10.231 -4.003 -9.593 1.00 0.91 C ATOM 622 NE ARG A 401 -9.143 -3.531 -10.445 1.00 1.02 N ATOM 623 CZ ARG A 401 -9.314 -2.706 -11.474 1.00 1.25 C ATOM 624 NH1 ARG A 401 -10.521 -2.237 -11.761 1.00 1.55 N ATOM 625 NH2 ARG A 401 -8.274 -2.346 -12.215 1.00 1.43 N ATOM 0 H ARG A 401 -8.830 -5.434 -5.605 1.00 0.51 H new ATOM 0 HA ARG A 401 -11.241 -7.009 -6.156 1.00 0.60 H new ATOM 0 HB2 ARG A 401 -11.512 -6.076 -8.364 1.00 0.65 H new ATOM 0 HB3 ARG A 401 -11.466 -4.724 -7.250 1.00 0.65 H new ATOM 0 HG2 ARG A 401 -9.082 -4.331 -7.812 1.00 0.72 H new ATOM 0 HG3 ARG A 401 -9.108 -5.697 -8.908 1.00 0.72 H new ATOM 0 HD2 ARG A 401 -10.958 -4.545 -10.198 1.00 0.91 H new ATOM 0 HD3 ARG A 401 -10.751 -3.149 -9.160 1.00 0.91 H new ATOM 0 HE ARG A 401 -8.197 -3.853 -10.239 1.00 1.02 H new ATOM 0 HH11 ARG A 401 -11.322 -2.509 -11.192 1.00 1.55 H new ATOM 0 HH12 ARG A 401 -10.648 -1.604 -12.551 1.00 1.55 H new ATOM 0 HH21 ARG A 401 -7.344 -2.702 -11.995 1.00 1.43 H new ATOM 0 HH22 ARG A 401 -8.405 -1.713 -13.004 1.00 1.43 H new ATOM 639 N THR A 402 -9.895 -8.680 -7.397 1.00 0.82 N ATOM 640 CA THR A 402 -9.078 -9.740 -7.975 1.00 0.99 C ATOM 641 C THR A 402 -8.901 -9.515 -9.471 1.00 1.16 C ATOM 642 O THR A 402 -9.853 -9.165 -10.169 1.00 1.79 O ATOM 643 CB THR A 402 -9.714 -11.124 -7.755 1.00 1.14 C ATOM 644 OG1 THR A 402 -11.057 -11.134 -8.256 1.00 1.38 O ATOM 645 CG2 THR A 402 -9.712 -11.495 -6.282 1.00 1.29 C ATOM 0 H THR A 402 -10.861 -8.951 -7.211 1.00 0.82 H new ATOM 0 HA THR A 402 -8.110 -9.712 -7.475 1.00 0.99 H new ATOM 0 HB THR A 402 -9.121 -11.860 -8.297 1.00 1.14 H new ATOM 0 HG1 THR A 402 -11.554 -11.873 -7.846 1.00 1.38 H new ATOM 0 HG21 THR A 402 -10.167 -12.477 -6.154 1.00 1.29 H new ATOM 0 HG22 THR A 402 -8.686 -11.519 -5.914 1.00 1.29 H new ATOM 0 HG23 THR A 402 -10.282 -10.755 -5.720 1.00 1.29 H new ATOM 653 N THR A 403 -7.686 -9.722 -9.960 1.00 1.43 N ATOM 654 CA THR A 403 -7.395 -9.545 -11.377 1.00 1.62 C ATOM 655 C THR A 403 -8.219 -10.532 -12.209 1.00 1.84 C ATOM 656 O THR A 403 -9.065 -11.246 -11.671 1.00 1.85 O ATOM 657 CB THR A 403 -5.895 -9.749 -11.658 1.00 1.77 C ATOM 658 OG1 THR A 403 -5.122 -9.171 -10.599 1.00 1.78 O ATOM 659 CG2 THR A 403 -5.485 -9.104 -12.974 1.00 1.95 C ATOM 0 H THR A 403 -6.886 -10.012 -9.397 1.00 1.43 H new ATOM 0 HA THR A 403 -7.663 -8.526 -11.657 1.00 1.62 H new ATOM 0 HB THR A 403 -5.710 -10.821 -11.722 1.00 1.77 H new ATOM 0 HG1 THR A 403 -5.043 -8.205 -10.741 1.00 1.78 H new ATOM 0 HG21 THR A 403 -4.420 -9.266 -13.143 1.00 1.95 H new ATOM 0 HG22 THR A 403 -6.054 -9.549 -13.790 1.00 1.95 H new ATOM 0 HG23 THR A 403 -5.687 -8.034 -12.933 1.00 1.95 H new ATOM 667 N GLU A 404 -7.974 -10.570 -13.517 1.00 2.08 N ATOM 668 CA GLU A 404 -8.701 -11.473 -14.406 1.00 2.34 C ATOM 669 C GLU A 404 -8.729 -12.887 -13.833 1.00 2.30 C ATOM 670 O GLU A 404 -9.751 -13.571 -13.892 1.00 2.37 O ATOM 671 CB GLU A 404 -8.062 -11.482 -15.796 1.00 2.72 C ATOM 672 CG GLU A 404 -8.040 -10.117 -16.463 1.00 2.91 C ATOM 673 CD GLU A 404 -7.406 -10.150 -17.839 1.00 3.42 C ATOM 674 OE1 GLU A 404 -6.219 -10.528 -17.937 1.00 3.79 O ATOM 675 OE2 GLU A 404 -8.095 -9.798 -18.820 1.00 3.87 O ATOM 0 H GLU A 404 -7.279 -9.987 -13.984 1.00 2.08 H new ATOM 0 HA GLU A 404 -9.726 -11.114 -14.492 1.00 2.34 H new ATOM 0 HB2 GLU A 404 -7.041 -11.854 -15.715 1.00 2.72 H new ATOM 0 HB3 GLU A 404 -8.606 -12.180 -16.433 1.00 2.72 H new ATOM 0 HG2 GLU A 404 -9.060 -9.741 -16.546 1.00 2.91 H new ATOM 0 HG3 GLU A 404 -7.493 -9.417 -15.832 1.00 2.91 H new ATOM 682 N ASN A 405 -7.601 -13.310 -13.271 1.00 2.26 N ATOM 683 CA ASN A 405 -7.491 -14.637 -12.673 1.00 2.30 C ATOM 684 C ASN A 405 -8.096 -14.648 -11.270 1.00 2.07 C ATOM 685 O ASN A 405 -7.434 -15.032 -10.307 1.00 2.40 O ATOM 686 CB ASN A 405 -6.024 -15.074 -12.614 1.00 2.43 C ATOM 687 CG ASN A 405 -5.861 -16.490 -12.094 1.00 2.67 C ATOM 688 OD1 ASN A 405 -6.382 -17.441 -12.675 1.00 3.16 O ATOM 689 ND2 ASN A 405 -5.134 -16.636 -10.993 1.00 2.73 N ATOM 0 H ASN A 405 -6.749 -12.752 -13.217 1.00 2.26 H new ATOM 0 HA ASN A 405 -8.045 -15.339 -13.296 1.00 2.30 H new ATOM 0 HB2 ASN A 405 -5.587 -15.003 -13.610 1.00 2.43 H new ATOM 0 HB3 ASN A 405 -5.469 -14.389 -11.973 1.00 2.43 H new ATOM 0 HD21 ASN A 405 -4.989 -17.565 -10.597 1.00 2.73 H new ATOM 0 HD22 ASN A 405 -4.720 -15.819 -10.543 1.00 2.73 H new ATOM 696 N ALA A 406 -9.351 -14.216 -11.158 1.00 1.82 N ATOM 697 CA ALA A 406 -10.029 -14.174 -9.866 1.00 1.67 C ATOM 698 C ALA A 406 -9.926 -15.517 -9.151 1.00 1.85 C ATOM 699 O ALA A 406 -10.685 -16.445 -9.428 1.00 2.18 O ATOM 700 CB ALA A 406 -11.485 -13.773 -10.041 1.00 1.72 C ATOM 0 H ALA A 406 -9.916 -13.892 -11.943 1.00 1.82 H new ATOM 0 HA ALA A 406 -9.535 -13.424 -9.249 1.00 1.67 H new ATOM 0 HB1 ALA A 406 -11.975 -13.747 -9.068 1.00 1.72 H new ATOM 0 HB2 ALA A 406 -11.538 -12.786 -10.500 1.00 1.72 H new ATOM 0 HB3 ALA A 406 -11.988 -14.498 -10.681 1.00 1.72 H new ATOM 706 N ALA A 407 -8.966 -15.603 -8.236 1.00 1.91 N ATOM 707 CA ALA A 407 -8.720 -16.818 -7.470 1.00 2.19 C ATOM 708 C ALA A 407 -7.605 -16.580 -6.461 1.00 2.37 C ATOM 709 O ALA A 407 -7.566 -17.192 -5.394 1.00 2.77 O ATOM 710 CB ALA A 407 -8.350 -17.961 -8.400 1.00 2.38 C ATOM 0 H ALA A 407 -8.338 -14.833 -8.005 1.00 1.91 H new ATOM 0 HA ALA A 407 -9.630 -17.086 -6.934 1.00 2.19 H new ATOM 0 HB1 ALA A 407 -8.169 -18.862 -7.815 1.00 2.38 H new ATOM 0 HB2 ALA A 407 -9.167 -18.140 -9.099 1.00 2.38 H new ATOM 0 HB3 ALA A 407 -7.448 -17.701 -8.955 1.00 2.38 H new ATOM 716 N ALA A 408 -6.698 -15.680 -6.825 1.00 2.15 N ATOM 717 CA ALA A 408 -5.562 -15.336 -5.977 1.00 2.35 C ATOM 718 C ALA A 408 -5.193 -13.854 -6.116 1.00 2.05 C ATOM 719 O ALA A 408 -5.073 -13.151 -5.113 1.00 1.99 O ATOM 720 CB ALA A 408 -4.368 -16.220 -6.310 1.00 2.76 C ATOM 0 H ALA A 408 -6.728 -15.172 -7.709 1.00 2.15 H new ATOM 0 HA ALA A 408 -5.849 -15.511 -4.940 1.00 2.35 H new ATOM 0 HB1 ALA A 408 -3.527 -15.952 -5.670 1.00 2.76 H new ATOM 0 HB2 ALA A 408 -4.632 -17.265 -6.145 1.00 2.76 H new ATOM 0 HB3 ALA A 408 -4.089 -16.077 -7.354 1.00 2.76 H new ATOM 726 N PRO A 409 -5.011 -13.350 -7.359 1.00 1.99 N ATOM 727 CA PRO A 409 -4.662 -11.942 -7.596 1.00 1.80 C ATOM 728 C PRO A 409 -5.656 -10.985 -6.959 1.00 1.41 C ATOM 729 O PRO A 409 -6.846 -11.277 -6.890 1.00 1.86 O ATOM 730 CB PRO A 409 -4.691 -11.809 -9.122 1.00 2.10 C ATOM 731 CG PRO A 409 -4.478 -13.192 -9.629 1.00 2.49 C ATOM 732 CD PRO A 409 -5.128 -14.099 -8.624 1.00 2.27 C ATOM 0 HA PRO A 409 -3.698 -11.686 -7.156 1.00 1.80 H new ATOM 0 HB2 PRO A 409 -5.643 -11.404 -9.466 1.00 2.10 H new ATOM 0 HB3 PRO A 409 -3.911 -11.134 -9.475 1.00 2.10 H new ATOM 0 HG2 PRO A 409 -4.922 -13.320 -10.616 1.00 2.49 H new ATOM 0 HG3 PRO A 409 -3.415 -13.414 -9.727 1.00 2.49 H new ATOM 0 HD2 PRO A 409 -6.169 -14.299 -8.878 1.00 2.27 H new ATOM 0 HD3 PRO A 409 -4.623 -15.063 -8.568 1.00 2.27 H new ATOM 740 N ASP A 410 -5.156 -9.844 -6.490 1.00 0.92 N ATOM 741 CA ASP A 410 -6.005 -8.844 -5.853 1.00 0.79 C ATOM 742 C ASP A 410 -5.229 -7.563 -5.559 1.00 0.68 C ATOM 743 O ASP A 410 -4.158 -7.592 -4.951 1.00 0.93 O ATOM 744 CB ASP A 410 -6.615 -9.413 -4.568 1.00 1.18 C ATOM 745 CG ASP A 410 -5.568 -9.945 -3.607 1.00 1.62 C ATOM 746 OD1 ASP A 410 -4.740 -10.778 -4.030 1.00 1.99 O ATOM 747 OD2 ASP A 410 -5.587 -9.542 -2.427 1.00 2.14 O ATOM 0 H ASP A 410 -4.169 -9.591 -6.540 1.00 0.92 H new ATOM 0 HA ASP A 410 -6.809 -8.591 -6.544 1.00 0.79 H new ATOM 0 HB2 ASP A 410 -7.196 -8.636 -4.072 1.00 1.18 H new ATOM 0 HB3 ASP A 410 -7.308 -10.215 -4.824 1.00 1.18 H new ATOM 752 N GLU A 411 -5.789 -6.437 -5.996 1.00 0.54 N ATOM 753 CA GLU A 411 -5.174 -5.130 -5.790 1.00 0.45 C ATOM 754 C GLU A 411 -5.968 -4.338 -4.761 1.00 0.40 C ATOM 755 O GLU A 411 -7.191 -4.448 -4.697 1.00 0.42 O ATOM 756 CB GLU A 411 -5.098 -4.346 -7.105 1.00 0.49 C ATOM 757 CG GLU A 411 -4.179 -4.967 -8.148 1.00 0.58 C ATOM 758 CD GLU A 411 -4.749 -6.225 -8.778 1.00 1.47 C ATOM 759 OE1 GLU A 411 -5.927 -6.541 -8.503 1.00 2.10 O ATOM 760 OE2 GLU A 411 -4.019 -6.903 -9.530 1.00 2.08 O ATOM 0 H GLU A 411 -6.676 -6.406 -6.499 1.00 0.54 H new ATOM 0 HA GLU A 411 -4.159 -5.284 -5.423 1.00 0.45 H new ATOM 0 HB2 GLU A 411 -6.101 -4.262 -7.524 1.00 0.49 H new ATOM 0 HB3 GLU A 411 -4.756 -3.333 -6.892 1.00 0.49 H new ATOM 0 HG2 GLU A 411 -3.982 -4.234 -8.931 1.00 0.58 H new ATOM 0 HG3 GLU A 411 -3.221 -5.203 -7.684 1.00 0.58 H new ATOM 767 N TYR A 412 -5.271 -3.557 -3.944 1.00 0.38 N ATOM 768 CA TYR A 412 -5.930 -2.775 -2.906 1.00 0.35 C ATOM 769 C TYR A 412 -5.914 -1.284 -3.223 1.00 0.33 C ATOM 770 O TYR A 412 -4.855 -0.687 -3.418 1.00 0.34 O ATOM 771 CB TYR A 412 -5.257 -3.021 -1.550 1.00 0.39 C ATOM 772 CG TYR A 412 -5.382 -4.447 -1.047 1.00 0.45 C ATOM 773 CD1 TYR A 412 -5.129 -5.528 -1.882 1.00 0.50 C ATOM 774 CD2 TYR A 412 -5.757 -4.708 0.264 1.00 0.53 C ATOM 775 CE1 TYR A 412 -5.244 -6.824 -1.429 1.00 0.58 C ATOM 776 CE2 TYR A 412 -5.874 -6.005 0.728 1.00 0.61 C ATOM 777 CZ TYR A 412 -5.617 -7.060 -0.123 1.00 0.62 C ATOM 778 OH TYR A 412 -5.735 -8.352 0.333 1.00 0.72 O ATOM 0 H TYR A 412 -4.257 -3.449 -3.980 1.00 0.38 H new ATOM 0 HA TYR A 412 -6.970 -3.099 -2.864 1.00 0.35 H new ATOM 0 HB2 TYR A 412 -4.200 -2.766 -1.629 1.00 0.39 H new ATOM 0 HB3 TYR A 412 -5.693 -2.347 -0.812 1.00 0.39 H new ATOM 0 HD1 TYR A 412 -4.836 -5.349 -2.906 1.00 0.50 H new ATOM 0 HD2 TYR A 412 -5.961 -3.884 0.932 1.00 0.53 H new ATOM 0 HE1 TYR A 412 -5.043 -7.651 -2.094 1.00 0.58 H new ATOM 0 HE2 TYR A 412 -6.165 -6.191 1.751 1.00 0.61 H new ATOM 0 HH TYR A 412 -5.714 -8.970 -0.427 1.00 0.72 H new ATOM 788 N TYR A 413 -7.103 -0.690 -3.248 1.00 0.33 N ATOM 789 CA TYR A 413 -7.251 0.734 -3.512 1.00 0.32 C ATOM 790 C TYR A 413 -6.581 1.526 -2.397 1.00 0.32 C ATOM 791 O TYR A 413 -6.512 1.059 -1.260 1.00 0.40 O ATOM 792 CB TYR A 413 -8.735 1.100 -3.603 1.00 0.36 C ATOM 793 CG TYR A 413 -8.996 2.512 -4.084 1.00 0.38 C ATOM 794 CD1 TYR A 413 -8.286 3.042 -5.153 1.00 0.40 C ATOM 795 CD2 TYR A 413 -9.946 3.316 -3.464 1.00 0.44 C ATOM 796 CE1 TYR A 413 -8.516 4.332 -5.594 1.00 0.44 C ATOM 797 CE2 TYR A 413 -10.181 4.607 -3.899 1.00 0.48 C ATOM 798 CZ TYR A 413 -9.489 5.102 -4.969 1.00 0.46 C ATOM 799 OH TYR A 413 -9.694 6.394 -5.397 1.00 0.51 O ATOM 0 H TYR A 413 -7.984 -1.179 -3.087 1.00 0.33 H new ATOM 0 HA TYR A 413 -6.775 0.978 -4.462 1.00 0.32 H new ATOM 0 HB2 TYR A 413 -9.230 0.401 -4.277 1.00 0.36 H new ATOM 0 HB3 TYR A 413 -9.190 0.972 -2.621 1.00 0.36 H new ATOM 0 HD1 TYR A 413 -7.542 2.436 -5.648 1.00 0.40 H new ATOM 0 HD2 TYR A 413 -10.509 2.926 -2.629 1.00 0.44 H new ATOM 0 HE1 TYR A 413 -7.945 4.737 -6.416 1.00 0.44 H new ATOM 0 HE2 TYR A 413 -10.910 5.224 -3.394 1.00 0.48 H new ATOM 0 HH TYR A 413 -10.407 6.806 -4.865 1.00 0.51 H new ATOM 809 N VAL A 414 -6.073 2.711 -2.714 1.00 0.33 N ATOM 810 CA VAL A 414 -5.401 3.518 -1.707 1.00 0.33 C ATOM 811 C VAL A 414 -5.457 5.009 -2.026 1.00 0.29 C ATOM 812 O VAL A 414 -5.258 5.425 -3.168 1.00 0.38 O ATOM 813 CB VAL A 414 -3.929 3.088 -1.553 1.00 0.39 C ATOM 814 CG1 VAL A 414 -3.166 3.302 -2.851 1.00 1.09 C ATOM 815 CG2 VAL A 414 -3.269 3.837 -0.405 1.00 1.15 C ATOM 0 H VAL A 414 -6.113 3.128 -3.644 1.00 0.33 H new ATOM 0 HA VAL A 414 -5.934 3.350 -0.771 1.00 0.33 H new ATOM 0 HB VAL A 414 -3.906 2.023 -1.321 1.00 0.39 H new ATOM 0 HG11 VAL A 414 -2.129 2.992 -2.719 1.00 1.09 H new ATOM 0 HG12 VAL A 414 -3.624 2.710 -3.644 1.00 1.09 H new ATOM 0 HG13 VAL A 414 -3.197 4.357 -3.122 1.00 1.09 H new ATOM 0 HG21 VAL A 414 -2.230 3.519 -0.313 1.00 1.15 H new ATOM 0 HG22 VAL A 414 -3.305 4.909 -0.601 1.00 1.15 H new ATOM 0 HG23 VAL A 414 -3.798 3.620 0.523 1.00 1.15 H new ATOM 825 N HIS A 415 -5.717 5.804 -0.993 1.00 0.33 N ATOM 826 CA HIS A 415 -5.786 7.253 -1.125 1.00 0.32 C ATOM 827 C HIS A 415 -4.713 7.896 -0.255 1.00 0.32 C ATOM 828 O HIS A 415 -4.818 7.901 0.972 1.00 0.34 O ATOM 829 CB HIS A 415 -7.172 7.753 -0.709 1.00 0.37 C ATOM 830 CG HIS A 415 -7.345 9.236 -0.828 1.00 0.44 C ATOM 831 ND1 HIS A 415 -7.277 9.909 -2.029 1.00 0.50 N ATOM 832 CD2 HIS A 415 -7.590 10.177 0.115 1.00 0.54 C ATOM 833 CE1 HIS A 415 -7.471 11.200 -1.819 1.00 0.60 C ATOM 834 NE2 HIS A 415 -7.664 11.387 -0.528 1.00 0.62 N ATOM 0 H HIS A 415 -5.885 5.463 -0.046 1.00 0.33 H new ATOM 0 HA HIS A 415 -5.615 7.528 -2.166 1.00 0.32 H new ATOM 0 HB2 HIS A 415 -7.925 7.259 -1.323 1.00 0.37 H new ATOM 0 HB3 HIS A 415 -7.359 7.457 0.323 1.00 0.37 H new ATOM 0 HD1 HIS A 415 -7.104 9.479 -2.937 1.00 0.50 H new ATOM 0 HD2 HIS A 415 -7.706 10.007 1.175 1.00 0.54 H new ATOM 0 HE1 HIS A 415 -7.471 11.970 -2.576 1.00 0.60 H new ATOM 843 N TYR A 416 -3.673 8.425 -0.890 1.00 0.37 N ATOM 844 CA TYR A 416 -2.576 9.049 -0.161 1.00 0.40 C ATOM 845 C TYR A 416 -3.059 10.254 0.637 1.00 0.45 C ATOM 846 O TYR A 416 -3.723 11.144 0.105 1.00 0.57 O ATOM 847 CB TYR A 416 -1.449 9.439 -1.118 1.00 0.46 C ATOM 848 CG TYR A 416 -0.831 8.249 -1.821 1.00 0.47 C ATOM 849 CD1 TYR A 416 -1.507 7.593 -2.844 1.00 0.53 C ATOM 850 CD2 TYR A 416 0.435 7.791 -1.474 1.00 0.51 C ATOM 851 CE1 TYR A 416 -0.940 6.514 -3.497 1.00 0.59 C ATOM 852 CE2 TYR A 416 1.008 6.713 -2.123 1.00 0.54 C ATOM 853 CZ TYR A 416 0.294 6.043 -3.093 1.00 0.57 C ATOM 854 OH TYR A 416 0.882 5.004 -3.781 1.00 0.65 O ATOM 0 H TYR A 416 -3.567 8.434 -1.904 1.00 0.37 H new ATOM 0 HA TYR A 416 -2.184 8.321 0.549 1.00 0.40 H new ATOM 0 HB2 TYR A 416 -1.837 10.133 -1.864 1.00 0.46 H new ATOM 0 HB3 TYR A 416 -0.675 9.968 -0.562 1.00 0.46 H new ATOM 0 HD1 TYR A 416 -2.491 7.932 -3.133 1.00 0.53 H new ATOM 0 HD2 TYR A 416 0.980 8.286 -0.684 1.00 0.51 H new ATOM 0 HE1 TYR A 416 -1.459 6.042 -4.318 1.00 0.59 H new ATOM 0 HE2 TYR A 416 2.010 6.398 -1.871 1.00 0.54 H new ATOM 0 HH TYR A 416 1.747 4.790 -3.374 1.00 0.65 H new ATOM 864 N VAL A 417 -2.730 10.257 1.926 1.00 0.45 N ATOM 865 CA VAL A 417 -3.132 11.329 2.830 1.00 0.55 C ATOM 866 C VAL A 417 -2.187 12.520 2.728 1.00 0.66 C ATOM 867 O VAL A 417 -1.924 13.210 3.713 1.00 1.34 O ATOM 868 CB VAL A 417 -3.160 10.824 4.282 1.00 0.68 C ATOM 869 CG1 VAL A 417 -4.044 11.706 5.151 1.00 1.10 C ATOM 870 CG2 VAL A 417 -3.623 9.381 4.310 1.00 1.01 C ATOM 0 H VAL A 417 -2.181 9.521 2.370 1.00 0.45 H new ATOM 0 HA VAL A 417 -4.131 11.650 2.536 1.00 0.55 H new ATOM 0 HB VAL A 417 -2.152 10.875 4.694 1.00 0.68 H new ATOM 0 HG11 VAL A 417 -4.045 11.326 6.173 1.00 1.10 H new ATOM 0 HG12 VAL A 417 -3.659 12.726 5.144 1.00 1.10 H new ATOM 0 HG13 VAL A 417 -5.061 11.699 4.760 1.00 1.10 H new ATOM 0 HG21 VAL A 417 -3.642 9.025 5.340 1.00 1.01 H new ATOM 0 HG22 VAL A 417 -4.624 9.312 3.883 1.00 1.01 H new ATOM 0 HG23 VAL A 417 -2.937 8.767 3.727 1.00 1.01 H new ATOM 880 N GLY A 418 -1.684 12.751 1.527 1.00 0.71 N ATOM 881 CA GLY A 418 -0.772 13.859 1.304 1.00 0.82 C ATOM 882 C GLY A 418 -0.368 14.003 -0.149 1.00 0.72 C ATOM 883 O GLY A 418 -0.419 15.100 -0.708 1.00 0.76 O ATOM 0 H GLY A 418 -1.889 12.192 0.699 1.00 0.71 H new ATOM 0 HA2 GLY A 418 -1.242 14.784 1.639 1.00 0.82 H new ATOM 0 HA3 GLY A 418 0.121 13.717 1.912 1.00 0.82 H new ATOM 887 N LEU A 419 0.032 12.895 -0.764 1.00 0.66 N ATOM 888 CA LEU A 419 0.444 12.904 -2.163 1.00 0.60 C ATOM 889 C LEU A 419 -0.712 13.313 -3.068 1.00 0.59 C ATOM 890 O LEU A 419 -1.877 13.079 -2.748 1.00 0.76 O ATOM 891 CB LEU A 419 0.983 11.533 -2.582 1.00 0.58 C ATOM 892 CG LEU A 419 2.332 11.145 -1.968 1.00 0.78 C ATOM 893 CD1 LEU A 419 2.198 10.902 -0.471 1.00 1.60 C ATOM 894 CD2 LEU A 419 2.898 9.916 -2.661 1.00 1.40 C ATOM 0 H LEU A 419 0.080 11.980 -0.316 1.00 0.66 H new ATOM 0 HA LEU A 419 1.243 13.638 -2.269 1.00 0.60 H new ATOM 0 HB2 LEU A 419 0.248 10.774 -2.313 1.00 0.58 H new ATOM 0 HB3 LEU A 419 1.078 11.514 -3.668 1.00 0.58 H new ATOM 0 HG LEU A 419 3.024 11.974 -2.115 1.00 0.78 H new ATOM 0 HD11 LEU A 419 3.169 10.628 -0.059 1.00 1.60 H new ATOM 0 HD12 LEU A 419 1.841 11.810 0.014 1.00 1.60 H new ATOM 0 HD13 LEU A 419 1.488 10.094 -0.296 1.00 1.60 H new ATOM 0 HD21 LEU A 419 3.856 9.654 -2.212 1.00 1.40 H new ATOM 0 HD22 LEU A 419 2.205 9.083 -2.548 1.00 1.40 H new ATOM 0 HD23 LEU A 419 3.039 10.129 -3.721 1.00 1.40 H new ATOM 906 N ASN A 420 -0.377 13.936 -4.194 1.00 0.61 N ATOM 907 CA ASN A 420 -1.379 14.394 -5.151 1.00 0.63 C ATOM 908 C ASN A 420 -2.323 13.259 -5.547 1.00 0.56 C ATOM 909 O ASN A 420 -2.048 12.086 -5.290 1.00 0.56 O ATOM 910 CB ASN A 420 -0.701 14.971 -6.395 1.00 0.75 C ATOM 911 CG ASN A 420 -1.669 15.733 -7.277 1.00 1.57 C ATOM 912 OD1 ASN A 420 -2.327 16.673 -6.830 1.00 2.53 O ATOM 913 ND2 ASN A 420 -1.756 15.338 -8.540 1.00 1.98 N ATOM 0 H ASN A 420 0.585 14.136 -4.467 1.00 0.61 H new ATOM 0 HA ASN A 420 -1.968 15.176 -4.672 1.00 0.63 H new ATOM 0 HB2 ASN A 420 0.108 15.634 -6.090 1.00 0.75 H new ATOM 0 HB3 ASN A 420 -0.250 14.161 -6.969 1.00 0.75 H new ATOM 0 HD21 ASN A 420 -2.386 15.818 -9.182 1.00 1.98 H new ATOM 0 HD22 ASN A 420 -1.192 14.554 -8.869 1.00 1.98 H new ATOM 920 N ARG A 421 -3.436 13.620 -6.177 1.00 0.62 N ATOM 921 CA ARG A 421 -4.426 12.643 -6.612 1.00 0.67 C ATOM 922 C ARG A 421 -3.837 11.720 -7.667 1.00 0.66 C ATOM 923 O ARG A 421 -4.257 10.570 -7.808 1.00 0.69 O ATOM 924 CB ARG A 421 -5.665 13.351 -7.162 1.00 0.87 C ATOM 925 CG ARG A 421 -6.360 14.233 -6.139 1.00 1.09 C ATOM 926 CD ARG A 421 -7.605 14.885 -6.715 1.00 1.51 C ATOM 927 NE ARG A 421 -8.297 15.712 -5.730 1.00 2.25 N ATOM 928 CZ ARG A 421 -8.849 15.234 -4.618 1.00 3.00 C ATOM 929 NH1 ARG A 421 -8.812 13.933 -4.359 1.00 3.28 N ATOM 930 NH2 ARG A 421 -9.444 16.057 -3.767 1.00 3.98 N ATOM 0 H ARG A 421 -3.675 14.587 -6.398 1.00 0.62 H new ATOM 0 HA ARG A 421 -4.719 12.043 -5.751 1.00 0.67 H new ATOM 0 HB2 ARG A 421 -5.376 13.960 -8.019 1.00 0.87 H new ATOM 0 HB3 ARG A 421 -6.370 12.603 -7.525 1.00 0.87 H new ATOM 0 HG2 ARG A 421 -6.631 13.636 -5.268 1.00 1.09 H new ATOM 0 HG3 ARG A 421 -5.671 15.004 -5.795 1.00 1.09 H new ATOM 0 HD2 ARG A 421 -7.329 15.498 -7.573 1.00 1.51 H new ATOM 0 HD3 ARG A 421 -8.282 14.113 -7.080 1.00 1.51 H new ATOM 0 HE ARG A 421 -8.361 16.715 -5.905 1.00 2.25 H new ATOM 0 HH11 ARG A 421 -8.359 13.295 -5.014 1.00 3.28 H new ATOM 0 HH12 ARG A 421 -9.236 13.571 -3.505 1.00 3.28 H new ATOM 0 HH21 ARG A 421 -9.479 17.057 -3.965 1.00 3.98 H new ATOM 0 HH22 ARG A 421 -9.867 15.690 -2.914 1.00 3.98 H new ATOM 944 N ARG A 422 -2.859 12.233 -8.402 1.00 0.71 N ATOM 945 CA ARG A 422 -2.198 11.471 -9.440 1.00 0.83 C ATOM 946 C ARG A 422 -1.676 10.146 -8.898 1.00 0.72 C ATOM 947 O ARG A 422 -1.761 9.115 -9.566 1.00 0.77 O ATOM 948 CB ARG A 422 -1.053 12.295 -10.023 1.00 1.01 C ATOM 949 CG ARG A 422 -0.141 11.488 -10.909 1.00 1.19 C ATOM 950 CD ARG A 422 0.904 12.357 -11.590 1.00 1.49 C ATOM 951 NE ARG A 422 1.777 13.020 -10.626 1.00 2.09 N ATOM 952 CZ ARG A 422 2.785 13.816 -10.970 1.00 2.79 C ATOM 953 NH1 ARG A 422 3.049 14.041 -12.249 1.00 3.07 N ATOM 954 NH2 ARG A 422 3.530 14.385 -10.034 1.00 3.71 N ATOM 0 H ARG A 422 -2.507 13.184 -8.292 1.00 0.71 H new ATOM 0 HA ARG A 422 -2.921 11.247 -10.225 1.00 0.83 H new ATOM 0 HB2 ARG A 422 -1.465 13.126 -10.595 1.00 1.01 H new ATOM 0 HB3 ARG A 422 -0.471 12.726 -9.208 1.00 1.01 H new ATOM 0 HG2 ARG A 422 0.356 10.721 -10.315 1.00 1.19 H new ATOM 0 HG3 ARG A 422 -0.733 10.972 -11.665 1.00 1.19 H new ATOM 0 HD2 ARG A 422 1.505 11.743 -12.261 1.00 1.49 H new ATOM 0 HD3 ARG A 422 0.407 13.107 -12.205 1.00 1.49 H new ATOM 0 HE ARG A 422 1.604 12.864 -9.633 1.00 2.09 H new ATOM 0 HH11 ARG A 422 2.478 13.603 -12.972 1.00 3.07 H new ATOM 0 HH12 ARG A 422 3.823 14.652 -12.510 1.00 3.07 H new ATOM 0 HH21 ARG A 422 3.331 14.213 -9.049 1.00 3.71 H new ATOM 0 HH22 ARG A 422 4.303 14.995 -10.299 1.00 3.71 H new ATOM 968 N LEU A 423 -1.142 10.180 -7.686 1.00 0.65 N ATOM 969 CA LEU A 423 -0.612 8.981 -7.055 1.00 0.62 C ATOM 970 C LEU A 423 -1.745 8.040 -6.660 1.00 0.52 C ATOM 971 O LEU A 423 -1.600 6.819 -6.710 1.00 0.53 O ATOM 972 CB LEU A 423 0.224 9.331 -5.820 1.00 0.69 C ATOM 973 CG LEU A 423 1.385 10.309 -6.048 1.00 0.89 C ATOM 974 CD1 LEU A 423 2.168 9.947 -7.302 1.00 1.31 C ATOM 975 CD2 LEU A 423 0.880 11.743 -6.116 1.00 1.49 C ATOM 0 H LEU A 423 -1.064 11.025 -7.120 1.00 0.65 H new ATOM 0 HA LEU A 423 0.032 8.482 -7.779 1.00 0.62 H new ATOM 0 HB2 LEU A 423 -0.439 9.755 -5.065 1.00 0.69 H new ATOM 0 HB3 LEU A 423 0.629 8.407 -5.406 1.00 0.69 H new ATOM 0 HG LEU A 423 2.062 10.229 -5.198 1.00 0.89 H new ATOM 0 HD11 LEU A 423 2.984 10.656 -7.439 1.00 1.31 H new ATOM 0 HD12 LEU A 423 2.575 8.941 -7.199 1.00 1.31 H new ATOM 0 HD13 LEU A 423 1.506 9.984 -8.167 1.00 1.31 H new ATOM 0 HD21 LEU A 423 1.721 12.418 -6.278 1.00 1.49 H new ATOM 0 HD22 LEU A 423 0.172 11.841 -6.939 1.00 1.49 H new ATOM 0 HD23 LEU A 423 0.385 11.999 -5.179 1.00 1.49 H new ATOM 987 N ASP A 424 -2.870 8.625 -6.259 1.00 0.49 N ATOM 988 CA ASP A 424 -4.036 7.853 -5.842 1.00 0.50 C ATOM 989 C ASP A 424 -4.444 6.847 -6.912 1.00 0.45 C ATOM 990 O ASP A 424 -4.565 7.188 -8.089 1.00 0.49 O ATOM 991 CB ASP A 424 -5.206 8.790 -5.540 1.00 0.66 C ATOM 992 CG ASP A 424 -4.873 9.808 -4.466 1.00 0.81 C ATOM 993 OD1 ASP A 424 -3.759 9.737 -3.909 1.00 0.97 O ATOM 994 OD2 ASP A 424 -5.724 10.677 -4.184 1.00 1.20 O ATOM 0 H ASP A 424 -2.999 9.636 -6.214 1.00 0.49 H new ATOM 0 HA ASP A 424 -3.769 7.303 -4.940 1.00 0.50 H new ATOM 0 HB2 ASP A 424 -5.495 9.311 -6.453 1.00 0.66 H new ATOM 0 HB3 ASP A 424 -6.067 8.201 -5.223 1.00 0.66 H new ATOM 999 N GLY A 425 -4.659 5.606 -6.489 1.00 0.44 N ATOM 1000 CA GLY A 425 -5.058 4.560 -7.411 1.00 0.50 C ATOM 1001 C GLY A 425 -5.007 3.186 -6.775 1.00 0.45 C ATOM 1002 O GLY A 425 -5.260 3.041 -5.578 1.00 0.70 O ATOM 0 H GLY A 425 -4.563 5.305 -5.519 1.00 0.44 H new ATOM 0 HA2 GLY A 425 -6.070 4.757 -7.765 1.00 0.50 H new ATOM 0 HA3 GLY A 425 -4.405 4.579 -8.284 1.00 0.50 H new ATOM 1006 N TRP A 426 -4.670 2.177 -7.570 1.00 0.50 N ATOM 1007 CA TRP A 426 -4.579 0.811 -7.071 1.00 0.44 C ATOM 1008 C TRP A 426 -3.122 0.400 -6.886 1.00 0.45 C ATOM 1009 O TRP A 426 -2.265 0.732 -7.704 1.00 0.57 O ATOM 1010 CB TRP A 426 -5.282 -0.160 -8.020 1.00 0.47 C ATOM 1011 CG TRP A 426 -6.751 0.103 -8.161 1.00 0.49 C ATOM 1012 CD1 TRP A 426 -7.342 1.129 -8.842 1.00 0.57 C ATOM 1013 CD2 TRP A 426 -7.815 -0.665 -7.588 1.00 0.48 C ATOM 1014 NE1 TRP A 426 -8.710 1.036 -8.741 1.00 0.61 N ATOM 1015 CE2 TRP A 426 -9.024 -0.056 -7.973 1.00 0.55 C ATOM 1016 CE3 TRP A 426 -7.863 -1.811 -6.790 1.00 0.50 C ATOM 1017 CZ2 TRP A 426 -10.266 -0.557 -7.587 1.00 0.59 C ATOM 1018 CZ3 TRP A 426 -9.095 -2.306 -6.407 1.00 0.56 C ATOM 1019 CH2 TRP A 426 -10.282 -1.679 -6.806 1.00 0.59 C ATOM 0 H TRP A 426 -4.456 2.279 -8.562 1.00 0.50 H new ATOM 0 HA TRP A 426 -5.077 0.773 -6.102 1.00 0.44 H new ATOM 0 HB2 TRP A 426 -4.814 -0.099 -9.002 1.00 0.47 H new ATOM 0 HB3 TRP A 426 -5.136 -1.178 -7.660 1.00 0.47 H new ATOM 0 HD1 TRP A 426 -6.812 1.900 -9.381 1.00 0.57 H new ATOM 0 HE1 TRP A 426 -9.381 1.675 -9.167 1.00 0.61 H new ATOM 0 HE3 TRP A 426 -6.953 -2.301 -6.478 1.00 0.50 H new ATOM 0 HZ2 TRP A 426 -11.183 -0.076 -7.894 1.00 0.59 H new ATOM 0 HZ3 TRP A 426 -9.143 -3.191 -5.790 1.00 0.56 H new ATOM 0 HH2 TRP A 426 -11.229 -2.090 -6.490 1.00 0.59 H new ATOM 1030 N VAL A 427 -2.850 -0.320 -5.803 1.00 0.39 N ATOM 1031 CA VAL A 427 -1.497 -0.775 -5.507 1.00 0.46 C ATOM 1032 C VAL A 427 -1.506 -2.189 -4.936 1.00 0.51 C ATOM 1033 O VAL A 427 -2.417 -2.569 -4.200 1.00 0.70 O ATOM 1034 CB VAL A 427 -0.789 0.160 -4.506 1.00 0.64 C ATOM 1035 CG1 VAL A 427 -0.702 1.573 -5.052 1.00 0.89 C ATOM 1036 CG2 VAL A 427 -1.506 0.153 -3.169 1.00 0.85 C ATOM 0 H VAL A 427 -3.549 -0.601 -5.115 1.00 0.39 H new ATOM 0 HA VAL A 427 -0.951 -0.765 -6.450 1.00 0.46 H new ATOM 0 HB VAL A 427 0.225 -0.211 -4.358 1.00 0.64 H new ATOM 0 HG11 VAL A 427 -0.199 2.213 -4.327 1.00 0.89 H new ATOM 0 HG12 VAL A 427 -0.139 1.568 -5.985 1.00 0.89 H new ATOM 0 HG13 VAL A 427 -1.706 1.954 -5.236 1.00 0.89 H new ATOM 0 HG21 VAL A 427 -0.991 0.819 -2.476 1.00 0.85 H new ATOM 0 HG22 VAL A 427 -2.532 0.494 -3.305 1.00 0.85 H new ATOM 0 HG23 VAL A 427 -1.510 -0.859 -2.764 1.00 0.85 H new ATOM 1046 N GLY A 428 -0.484 -2.962 -5.286 1.00 0.52 N ATOM 1047 CA GLY A 428 -0.383 -4.329 -4.807 1.00 0.65 C ATOM 1048 C GLY A 428 -0.343 -4.421 -3.293 1.00 0.79 C ATOM 1049 O GLY A 428 0.167 -3.524 -2.622 1.00 1.72 O ATOM 0 H GLY A 428 0.279 -2.666 -5.895 1.00 0.52 H new ATOM 0 HA2 GLY A 428 -1.232 -4.903 -5.179 1.00 0.65 H new ATOM 0 HA3 GLY A 428 0.516 -4.788 -5.218 1.00 0.65 H new ATOM 1053 N ARG A 429 -0.882 -5.515 -2.762 1.00 0.54 N ATOM 1054 CA ARG A 429 -0.912 -5.749 -1.321 1.00 0.54 C ATOM 1055 C ARG A 429 0.479 -5.601 -0.705 1.00 0.49 C ATOM 1056 O ARG A 429 0.629 -5.053 0.387 1.00 0.53 O ATOM 1057 CB ARG A 429 -1.480 -7.147 -1.041 1.00 0.68 C ATOM 1058 CG ARG A 429 -1.079 -7.738 0.304 1.00 0.83 C ATOM 1059 CD ARG A 429 -1.559 -6.895 1.473 1.00 0.85 C ATOM 1060 NE ARG A 429 -1.104 -7.444 2.749 1.00 1.20 N ATOM 1061 CZ ARG A 429 -1.309 -6.858 3.923 1.00 1.26 C ATOM 1062 NH1 ARG A 429 -1.948 -5.700 3.987 1.00 1.73 N ATOM 1063 NH2 ARG A 429 -0.870 -7.429 5.036 1.00 1.65 N ATOM 0 H ARG A 429 -1.308 -6.260 -3.314 1.00 0.54 H new ATOM 0 HA ARG A 429 -1.555 -4.999 -0.861 1.00 0.54 H new ATOM 0 HB2 ARG A 429 -2.568 -7.099 -1.092 1.00 0.68 H new ATOM 0 HB3 ARG A 429 -1.153 -7.822 -1.832 1.00 0.68 H new ATOM 0 HG2 ARG A 429 -1.489 -8.744 0.393 1.00 0.83 H new ATOM 0 HG3 ARG A 429 0.006 -7.831 0.348 1.00 0.83 H new ATOM 0 HD2 ARG A 429 -1.192 -5.875 1.363 1.00 0.85 H new ATOM 0 HD3 ARG A 429 -2.648 -6.845 1.464 1.00 0.85 H new ATOM 0 HE ARG A 429 -0.599 -8.330 2.737 1.00 1.20 H new ATOM 0 HH11 ARG A 429 -2.285 -5.255 3.133 1.00 1.73 H new ATOM 0 HH12 ARG A 429 -2.104 -5.253 4.890 1.00 1.73 H new ATOM 0 HH21 ARG A 429 -0.374 -8.319 4.991 1.00 1.65 H new ATOM 0 HH22 ARG A 429 -1.028 -6.978 5.937 1.00 1.65 H new ATOM 1077 N HIS A 430 1.490 -6.094 -1.411 1.00 0.49 N ATOM 1078 CA HIS A 430 2.867 -6.021 -0.933 1.00 0.53 C ATOM 1079 C HIS A 430 3.299 -4.583 -0.652 1.00 0.47 C ATOM 1080 O HIS A 430 4.174 -4.344 0.181 1.00 0.49 O ATOM 1081 CB HIS A 430 3.816 -6.665 -1.944 1.00 0.65 C ATOM 1082 CG HIS A 430 3.557 -6.266 -3.363 1.00 0.77 C ATOM 1083 ND1 HIS A 430 3.696 -4.973 -3.822 1.00 1.20 N ATOM 1084 CD2 HIS A 430 3.166 -7.002 -4.431 1.00 1.47 C ATOM 1085 CE1 HIS A 430 3.401 -4.931 -5.109 1.00 1.31 C ATOM 1086 NE2 HIS A 430 3.077 -6.148 -5.503 1.00 1.46 N ATOM 0 H HIS A 430 1.383 -6.549 -2.317 1.00 0.49 H new ATOM 0 HA HIS A 430 2.914 -6.570 0.007 1.00 0.53 H new ATOM 0 HB2 HIS A 430 4.841 -6.400 -1.684 1.00 0.65 H new ATOM 0 HB3 HIS A 430 3.736 -7.749 -1.862 1.00 0.65 H new ATOM 0 HD2 HIS A 430 2.962 -8.063 -4.438 1.00 1.47 H new ATOM 0 HE1 HIS A 430 3.422 -4.050 -5.733 1.00 1.31 H new ATOM 0 HE2 HIS A 430 2.805 -6.412 -6.450 1.00 1.46 H new ATOM 1095 N ARG A 431 2.694 -3.630 -1.352 1.00 0.43 N ATOM 1096 CA ARG A 431 3.038 -2.224 -1.173 1.00 0.41 C ATOM 1097 C ARG A 431 2.391 -1.641 0.083 1.00 0.37 C ATOM 1098 O ARG A 431 3.011 -0.849 0.791 1.00 0.57 O ATOM 1099 CB ARG A 431 2.627 -1.411 -2.401 1.00 0.44 C ATOM 1100 CG ARG A 431 3.312 -1.864 -3.679 1.00 0.53 C ATOM 1101 CD ARG A 431 2.938 -0.979 -4.857 1.00 0.64 C ATOM 1102 NE ARG A 431 3.498 -1.473 -6.116 1.00 1.39 N ATOM 1103 CZ ARG A 431 4.802 -1.598 -6.355 1.00 2.05 C ATOM 1104 NH1 ARG A 431 5.692 -1.255 -5.431 1.00 2.55 N ATOM 1105 NH2 ARG A 431 5.218 -2.067 -7.524 1.00 2.84 N ATOM 0 H ARG A 431 1.966 -3.804 -2.045 1.00 0.43 H new ATOM 0 HA ARG A 431 4.120 -2.165 -1.052 1.00 0.41 H new ATOM 0 HB2 ARG A 431 1.547 -1.483 -2.531 1.00 0.44 H new ATOM 0 HB3 ARG A 431 2.858 -0.360 -2.226 1.00 0.44 H new ATOM 0 HG2 ARG A 431 4.393 -1.847 -3.539 1.00 0.53 H new ATOM 0 HG3 ARG A 431 3.035 -2.896 -3.895 1.00 0.53 H new ATOM 0 HD2 ARG A 431 1.852 -0.926 -4.940 1.00 0.64 H new ATOM 0 HD3 ARG A 431 3.294 0.035 -4.675 1.00 0.64 H new ATOM 0 HE ARG A 431 2.849 -1.738 -6.857 1.00 1.39 H new ATOM 0 HH11 ARG A 431 5.378 -0.893 -4.530 1.00 2.55 H new ATOM 0 HH12 ARG A 431 6.689 -1.354 -5.622 1.00 2.55 H new ATOM 0 HH21 ARG A 431 4.539 -2.331 -8.238 1.00 2.84 H new ATOM 0 HH22 ARG A 431 6.216 -2.163 -7.709 1.00 2.84 H new ATOM 1119 N ILE A 432 1.151 -2.030 0.362 1.00 0.39 N ATOM 1120 CA ILE A 432 0.455 -1.524 1.542 1.00 0.36 C ATOM 1121 C ILE A 432 0.751 -2.392 2.760 1.00 0.38 C ATOM 1122 O ILE A 432 0.676 -3.618 2.697 1.00 0.44 O ATOM 1123 CB ILE A 432 -1.071 -1.450 1.321 1.00 0.38 C ATOM 1124 CG1 ILE A 432 -1.375 -0.647 0.054 1.00 0.40 C ATOM 1125 CG2 ILE A 432 -1.747 -0.822 2.531 1.00 0.42 C ATOM 1126 CD1 ILE A 432 -2.850 -0.550 -0.279 1.00 0.46 C ATOM 0 H ILE A 432 0.612 -2.685 -0.204 1.00 0.39 H new ATOM 0 HA ILE A 432 0.825 -0.514 1.719 1.00 0.36 H new ATOM 0 HB ILE A 432 -1.463 -2.459 1.196 1.00 0.38 H new ATOM 0 HG12 ILE A 432 -0.973 0.359 0.170 1.00 0.40 H new ATOM 0 HG13 ILE A 432 -0.853 -1.104 -0.787 1.00 0.40 H new ATOM 0 HG21 ILE A 432 -2.823 -0.775 2.363 1.00 0.42 H new ATOM 0 HG22 ILE A 432 -1.544 -1.426 3.415 1.00 0.42 H new ATOM 0 HG23 ILE A 432 -1.359 0.185 2.682 1.00 0.42 H new ATOM 0 HD11 ILE A 432 -2.980 0.035 -1.190 1.00 0.46 H new ATOM 0 HD12 ILE A 432 -3.256 -1.551 -0.429 1.00 0.46 H new ATOM 0 HD13 ILE A 432 -3.377 -0.064 0.542 1.00 0.46 H new ATOM 1138 N SER A 433 1.103 -1.741 3.866 1.00 0.34 N ATOM 1139 CA SER A 433 1.432 -2.441 5.103 1.00 0.38 C ATOM 1140 C SER A 433 1.345 -1.503 6.305 1.00 0.36 C ATOM 1141 O SER A 433 1.743 -0.341 6.228 1.00 0.34 O ATOM 1142 CB SER A 433 2.839 -3.037 5.010 1.00 0.41 C ATOM 1143 OG SER A 433 2.910 -4.030 4.001 1.00 0.53 O ATOM 0 H SER A 433 1.168 -0.725 3.930 1.00 0.34 H new ATOM 0 HA SER A 433 0.707 -3.243 5.241 1.00 0.38 H new ATOM 0 HB2 SER A 433 3.558 -2.246 4.797 1.00 0.41 H new ATOM 0 HB3 SER A 433 3.117 -3.470 5.971 1.00 0.41 H new ATOM 0 HG SER A 433 2.011 -4.211 3.656 1.00 0.53 H new ATOM 1149 N ASP A 434 0.817 -2.019 7.411 1.00 0.43 N ATOM 1150 CA ASP A 434 0.669 -1.235 8.635 1.00 0.48 C ATOM 1151 C ASP A 434 2.022 -0.740 9.141 1.00 0.48 C ATOM 1152 O ASP A 434 2.098 0.258 9.858 1.00 0.74 O ATOM 1153 CB ASP A 434 -0.021 -2.066 9.719 1.00 0.60 C ATOM 1154 CG ASP A 434 0.795 -3.277 10.129 1.00 0.83 C ATOM 1155 OD1 ASP A 434 1.061 -4.135 9.262 1.00 1.12 O ATOM 1156 OD2 ASP A 434 1.170 -3.368 11.318 1.00 1.35 O ATOM 0 H ASP A 434 0.483 -2.980 7.486 1.00 0.43 H new ATOM 0 HA ASP A 434 0.052 -0.367 8.403 1.00 0.48 H new ATOM 0 HB2 ASP A 434 -0.201 -1.440 10.593 1.00 0.60 H new ATOM 0 HB3 ASP A 434 -0.995 -2.394 9.356 1.00 0.60 H new ATOM 1161 N ASN A 435 3.087 -1.447 8.771 1.00 0.43 N ATOM 1162 CA ASN A 435 4.434 -1.080 9.199 1.00 0.47 C ATOM 1163 C ASN A 435 5.242 -0.513 8.033 1.00 0.39 C ATOM 1164 O ASN A 435 5.314 -1.117 6.962 1.00 0.38 O ATOM 1165 CB ASN A 435 5.144 -2.301 9.790 1.00 0.59 C ATOM 1166 CG ASN A 435 6.513 -1.966 10.350 1.00 1.26 C ATOM 1167 OD1 ASN A 435 7.405 -1.530 9.625 1.00 2.16 O ATOM 1168 ND2 ASN A 435 6.683 -2.171 11.651 1.00 1.81 N ATOM 0 H ASN A 435 3.044 -2.275 8.177 1.00 0.43 H new ATOM 0 HA ASN A 435 4.354 -0.307 9.963 1.00 0.47 H new ATOM 0 HB2 ASN A 435 4.527 -2.728 10.581 1.00 0.59 H new ATOM 0 HB3 ASN A 435 5.248 -3.065 9.019 1.00 0.59 H new ATOM 0 HD21 ASN A 435 7.582 -1.965 12.087 1.00 1.81 H new ATOM 0 HD22 ASN A 435 5.915 -2.534 12.215 1.00 1.81 H new ATOM 1175 N ALA A 436 5.839 0.656 8.251 1.00 0.49 N ATOM 1176 CA ALA A 436 6.635 1.323 7.223 1.00 0.55 C ATOM 1177 C ALA A 436 8.064 0.790 7.169 1.00 0.55 C ATOM 1178 O ALA A 436 8.633 0.631 6.089 1.00 0.54 O ATOM 1179 CB ALA A 436 6.644 2.825 7.463 1.00 0.75 C ATOM 0 H ALA A 436 5.786 1.163 9.134 1.00 0.49 H new ATOM 0 HA ALA A 436 6.171 1.111 6.260 1.00 0.55 H new ATOM 0 HB1 ALA A 436 7.240 3.313 6.692 1.00 0.75 H new ATOM 0 HB2 ALA A 436 5.623 3.205 7.428 1.00 0.75 H new ATOM 0 HB3 ALA A 436 7.076 3.034 8.442 1.00 0.75 H new ATOM 1185 N ASP A 437 8.646 0.535 8.339 1.00 0.65 N ATOM 1186 CA ASP A 437 10.017 0.036 8.427 1.00 0.75 C ATOM 1187 C ASP A 437 10.246 -1.134 7.473 1.00 0.71 C ATOM 1188 O ASP A 437 11.293 -1.228 6.832 1.00 0.78 O ATOM 1189 CB ASP A 437 10.334 -0.392 9.861 1.00 0.92 C ATOM 1190 CG ASP A 437 10.203 0.751 10.849 1.00 1.02 C ATOM 1191 OD1 ASP A 437 9.094 1.314 10.963 1.00 1.34 O ATOM 1192 OD2 ASP A 437 11.210 1.084 11.508 1.00 1.34 O ATOM 0 H ASP A 437 8.188 0.666 9.241 1.00 0.65 H new ATOM 0 HA ASP A 437 10.685 0.847 8.137 1.00 0.75 H new ATOM 0 HB2 ASP A 437 9.662 -1.199 10.153 1.00 0.92 H new ATOM 0 HB3 ASP A 437 11.348 -0.790 9.903 1.00 0.92 H new ATOM 1197 N ASP A 438 9.260 -2.019 7.382 1.00 0.68 N ATOM 1198 CA ASP A 438 9.351 -3.181 6.504 1.00 0.73 C ATOM 1199 C ASP A 438 9.268 -2.764 5.039 1.00 0.73 C ATOM 1200 O ASP A 438 9.932 -3.341 4.178 1.00 1.35 O ATOM 1201 CB ASP A 438 8.236 -4.178 6.829 1.00 0.88 C ATOM 1202 CG ASP A 438 8.313 -4.691 8.254 1.00 1.08 C ATOM 1203 OD1 ASP A 438 9.243 -4.283 8.982 1.00 1.56 O ATOM 1204 OD2 ASP A 438 7.445 -5.501 8.644 1.00 1.36 O ATOM 0 H ASP A 438 8.387 -1.954 7.906 1.00 0.68 H new ATOM 0 HA ASP A 438 10.316 -3.659 6.671 1.00 0.73 H new ATOM 0 HB2 ASP A 438 7.269 -3.701 6.670 1.00 0.88 H new ATOM 0 HB3 ASP A 438 8.294 -5.020 6.139 1.00 0.88 H new ATOM 1209 N LEU A 439 8.435 -1.764 4.765 1.00 0.54 N ATOM 1210 CA LEU A 439 8.242 -1.267 3.407 1.00 0.53 C ATOM 1211 C LEU A 439 9.560 -0.806 2.778 1.00 0.61 C ATOM 1212 O LEU A 439 10.201 -1.564 2.050 1.00 0.86 O ATOM 1213 CB LEU A 439 7.219 -0.128 3.407 1.00 0.52 C ATOM 1214 CG LEU A 439 5.834 -0.497 3.934 1.00 0.63 C ATOM 1215 CD1 LEU A 439 4.955 0.739 4.019 1.00 1.12 C ATOM 1216 CD2 LEU A 439 5.185 -1.545 3.046 1.00 1.10 C ATOM 0 H LEU A 439 7.880 -1.280 5.471 1.00 0.54 H new ATOM 0 HA LEU A 439 7.863 -2.089 2.800 1.00 0.53 H new ATOM 0 HB2 LEU A 439 7.612 0.692 4.008 1.00 0.52 H new ATOM 0 HB3 LEU A 439 7.115 0.245 2.388 1.00 0.52 H new ATOM 0 HG LEU A 439 5.947 -0.915 4.934 1.00 0.63 H new ATOM 0 HD11 LEU A 439 3.971 0.460 4.396 1.00 1.12 H new ATOM 0 HD12 LEU A 439 5.410 1.464 4.694 1.00 1.12 H new ATOM 0 HD13 LEU A 439 4.852 1.181 3.028 1.00 1.12 H new ATOM 0 HD21 LEU A 439 4.199 -1.794 3.438 1.00 1.10 H new ATOM 0 HD22 LEU A 439 5.084 -1.153 2.034 1.00 1.10 H new ATOM 0 HD23 LEU A 439 5.805 -2.441 3.028 1.00 1.10 H new ATOM 1228 N GLY A 440 9.960 0.437 3.052 1.00 0.59 N ATOM 1229 CA GLY A 440 11.195 0.957 2.487 1.00 0.77 C ATOM 1230 C GLY A 440 11.582 2.308 3.058 1.00 0.96 C ATOM 1231 O GLY A 440 12.047 3.185 2.328 1.00 1.36 O ATOM 0 H GLY A 440 9.453 1.088 3.652 1.00 0.59 H new ATOM 0 HA2 GLY A 440 12.001 0.246 2.671 1.00 0.77 H new ATOM 0 HA3 GLY A 440 11.086 1.043 1.406 1.00 0.77 H new ATOM 1235 N GLY A 441 11.402 2.475 4.367 1.00 0.93 N ATOM 1236 CA GLY A 441 11.749 3.731 5.012 1.00 1.24 C ATOM 1237 C GLY A 441 10.866 4.883 4.572 1.00 1.14 C ATOM 1238 O GLY A 441 10.479 4.967 3.407 1.00 1.83 O ATOM 0 H GLY A 441 11.022 1.764 4.992 1.00 0.93 H new ATOM 0 HA2 GLY A 441 11.671 3.612 6.093 1.00 1.24 H new ATOM 0 HA3 GLY A 441 12.789 3.972 4.792 1.00 1.24 H new ATOM 1242 N ILE A 442 10.553 5.780 5.506 1.00 1.10 N ATOM 1243 CA ILE A 442 9.719 6.937 5.204 1.00 1.03 C ATOM 1244 C ILE A 442 10.448 7.877 4.254 1.00 1.05 C ATOM 1245 O ILE A 442 11.060 8.856 4.683 1.00 1.39 O ATOM 1246 CB ILE A 442 9.326 7.710 6.481 1.00 1.26 C ATOM 1247 CG1 ILE A 442 8.580 6.793 7.456 1.00 1.41 C ATOM 1248 CG2 ILE A 442 8.475 8.921 6.124 1.00 1.38 C ATOM 1249 CD1 ILE A 442 7.294 6.218 6.898 1.00 1.48 C ATOM 0 H ILE A 442 10.865 5.726 6.476 1.00 1.10 H new ATOM 0 HA ILE A 442 8.808 6.566 4.735 1.00 1.03 H new ATOM 0 HB ILE A 442 10.235 8.059 6.970 1.00 1.26 H new ATOM 0 HG12 ILE A 442 9.238 5.973 7.744 1.00 1.41 H new ATOM 0 HG13 ILE A 442 8.352 7.352 8.363 1.00 1.41 H new ATOM 0 HG21 ILE A 442 8.205 9.457 7.034 1.00 1.38 H new ATOM 0 HG22 ILE A 442 9.041 9.582 5.468 1.00 1.38 H new ATOM 0 HG23 ILE A 442 7.569 8.592 5.615 1.00 1.38 H new ATOM 0 HD11 ILE A 442 6.825 5.580 7.647 1.00 1.48 H new ATOM 0 HD12 ILE A 442 6.615 7.030 6.637 1.00 1.48 H new ATOM 0 HD13 ILE A 442 7.515 5.629 6.008 1.00 1.48 H new ATOM 1261 N THR A 443 10.388 7.561 2.962 1.00 1.13 N ATOM 1262 CA THR A 443 11.051 8.356 1.943 1.00 1.36 C ATOM 1263 C THR A 443 12.558 8.350 2.150 1.00 1.47 C ATOM 1264 O THR A 443 13.040 8.541 3.263 1.00 2.20 O ATOM 1265 CB THR A 443 10.529 9.801 1.939 1.00 2.21 C ATOM 1266 OG1 THR A 443 9.181 9.833 1.458 1.00 3.05 O ATOM 1267 CG2 THR A 443 11.405 10.707 1.085 1.00 2.78 C ATOM 0 H THR A 443 9.882 6.753 2.599 1.00 1.13 H new ATOM 0 HA THR A 443 10.826 7.905 0.976 1.00 1.36 H new ATOM 0 HB THR A 443 10.559 10.171 2.964 1.00 2.21 H new ATOM 0 HG1 THR A 443 8.855 10.757 1.460 1.00 3.05 H new ATOM 0 HG21 THR A 443 11.007 11.722 1.104 1.00 2.78 H new ATOM 0 HG22 THR A 443 12.421 10.708 1.480 1.00 2.78 H new ATOM 0 HG23 THR A 443 11.415 10.341 0.058 1.00 2.78 H new ATOM 1275 N VAL A 444 13.281 8.122 1.060 1.00 1.90 N ATOM 1276 CA VAL A 444 14.737 8.071 1.066 1.00 2.70 C ATOM 1277 C VAL A 444 15.262 7.008 2.033 1.00 3.02 C ATOM 1278 O VAL A 444 14.826 6.909 3.180 1.00 3.60 O ATOM 1279 CB VAL A 444 15.367 9.446 1.392 1.00 3.53 C ATOM 1280 CG1 VAL A 444 15.532 9.661 2.892 1.00 4.18 C ATOM 1281 CG2 VAL A 444 16.695 9.590 0.673 1.00 4.02 C ATOM 0 H VAL A 444 12.869 7.966 0.140 1.00 1.90 H new ATOM 0 HA VAL A 444 15.037 7.795 0.055 1.00 2.70 H new ATOM 0 HB VAL A 444 14.685 10.219 1.038 1.00 3.53 H new ATOM 0 HG11 VAL A 444 15.978 10.639 3.072 1.00 4.18 H new ATOM 0 HG12 VAL A 444 14.557 9.612 3.376 1.00 4.18 H new ATOM 0 HG13 VAL A 444 16.180 8.886 3.302 1.00 4.18 H new ATOM 0 HG21 VAL A 444 17.132 10.561 0.907 1.00 4.02 H new ATOM 0 HG22 VAL A 444 17.372 8.799 0.997 1.00 4.02 H new ATOM 0 HG23 VAL A 444 16.536 9.514 -0.403 1.00 4.02 H new ATOM 1291 N LEU A 445 16.201 6.208 1.552 1.00 3.13 N ATOM 1292 CA LEU A 445 16.790 5.150 2.363 1.00 3.83 C ATOM 1293 C LEU A 445 18.211 4.833 1.899 1.00 4.75 C ATOM 1294 O LEU A 445 18.489 4.795 0.700 1.00 4.99 O ATOM 1295 CB LEU A 445 15.930 3.885 2.317 1.00 3.87 C ATOM 1296 CG LEU A 445 15.862 3.178 0.961 1.00 3.48 C ATOM 1297 CD1 LEU A 445 15.201 1.816 1.109 1.00 3.82 C ATOM 1298 CD2 LEU A 445 15.103 4.026 -0.047 1.00 3.70 C ATOM 0 H LEU A 445 16.573 6.270 0.604 1.00 3.13 H new ATOM 0 HA LEU A 445 16.832 5.506 3.392 1.00 3.83 H new ATOM 0 HB2 LEU A 445 16.313 3.180 3.055 1.00 3.87 H new ATOM 0 HB3 LEU A 445 14.916 4.146 2.622 1.00 3.87 H new ATOM 0 HG LEU A 445 16.879 3.036 0.595 1.00 3.48 H new ATOM 0 HD11 LEU A 445 15.159 1.324 0.137 1.00 3.82 H new ATOM 0 HD12 LEU A 445 15.780 1.204 1.801 1.00 3.82 H new ATOM 0 HD13 LEU A 445 14.190 1.942 1.495 1.00 3.82 H new ATOM 0 HD21 LEU A 445 15.065 3.507 -1.005 1.00 3.70 H new ATOM 0 HD22 LEU A 445 14.088 4.198 0.313 1.00 3.70 H new ATOM 0 HD23 LEU A 445 15.610 4.983 -0.173 1.00 3.70 H new ATOM 1310 N PRO A 446 19.135 4.607 2.852 1.00 5.56 N ATOM 1311 CA PRO A 446 20.536 4.298 2.542 1.00 6.59 C ATOM 1312 C PRO A 446 20.710 2.925 1.901 1.00 7.07 C ATOM 1313 O PRO A 446 20.002 1.975 2.237 1.00 7.26 O ATOM 1314 CB PRO A 446 21.225 4.343 3.908 1.00 7.40 C ATOM 1315 CG PRO A 446 20.143 4.061 4.891 1.00 6.97 C ATOM 1316 CD PRO A 446 18.885 4.638 4.305 1.00 5.82 C ATOM 0 HA PRO A 446 20.950 4.999 1.817 1.00 6.59 H new ATOM 0 HB2 PRO A 446 22.022 3.602 3.974 1.00 7.40 H new ATOM 0 HB3 PRO A 446 21.680 5.317 4.089 1.00 7.40 H new ATOM 0 HG2 PRO A 446 20.039 2.989 5.058 1.00 6.97 H new ATOM 0 HG3 PRO A 446 20.366 4.514 5.857 1.00 6.97 H new ATOM 0 HD2 PRO A 446 18.009 4.047 4.574 1.00 5.82 H new ATOM 0 HD3 PRO A 446 18.706 5.653 4.660 1.00 5.82 H new ATOM 1324 N ALA A 447 21.662 2.833 0.976 1.00 7.52 N ATOM 1325 CA ALA A 447 21.945 1.584 0.279 1.00 8.19 C ATOM 1326 C ALA A 447 23.240 1.692 -0.522 1.00 8.83 C ATOM 1327 O ALA A 447 23.505 2.721 -1.146 1.00 9.06 O ATOM 1328 CB ALA A 447 20.787 1.213 -0.636 1.00 8.42 C ATOM 0 H ALA A 447 22.253 3.614 0.691 1.00 7.52 H new ATOM 0 HA ALA A 447 22.068 0.798 1.024 1.00 8.19 H new ATOM 0 HB1 ALA A 447 21.014 0.278 -1.149 1.00 8.42 H new ATOM 0 HB2 ALA A 447 19.880 1.091 -0.044 1.00 8.42 H new ATOM 0 HB3 ALA A 447 20.637 2.003 -1.371 1.00 8.42 H new ATOM 1334 N PRO A 448 24.070 0.631 -0.518 1.00 9.38 N ATOM 1335 CA PRO A 448 25.343 0.622 -1.250 1.00 10.23 C ATOM 1336 C PRO A 448 25.160 0.982 -2.724 1.00 10.87 C ATOM 1337 O PRO A 448 24.236 0.495 -3.376 1.00 11.06 O ATOM 1338 CB PRO A 448 25.830 -0.822 -1.107 1.00 10.80 C ATOM 1339 CG PRO A 448 25.174 -1.323 0.133 1.00 10.31 C ATOM 1340 CD PRO A 448 23.837 -0.638 0.198 1.00 9.48 C ATOM 0 HA PRO A 448 26.045 1.359 -0.859 1.00 10.23 H new ATOM 0 HB2 PRO A 448 25.550 -1.422 -1.973 1.00 10.80 H new ATOM 0 HB3 PRO A 448 26.916 -0.867 -1.026 1.00 10.80 H new ATOM 0 HG2 PRO A 448 25.057 -2.406 0.102 1.00 10.31 H new ATOM 0 HG3 PRO A 448 25.774 -1.092 1.013 1.00 10.31 H new ATOM 0 HD2 PRO A 448 23.057 -1.232 -0.279 1.00 9.48 H new ATOM 0 HD3 PRO A 448 23.522 -0.467 1.227 1.00 9.48 H new ATOM 1348 N PRO A 449 26.039 1.843 -3.272 1.00 11.41 N ATOM 1349 CA PRO A 449 25.955 2.260 -4.677 1.00 12.23 C ATOM 1350 C PRO A 449 26.113 1.087 -5.636 1.00 13.10 C ATOM 1351 O PRO A 449 27.146 0.418 -5.650 1.00 13.50 O ATOM 1352 CB PRO A 449 27.121 3.243 -4.836 1.00 12.72 C ATOM 1353 CG PRO A 449 28.045 2.938 -3.708 1.00 12.39 C ATOM 1354 CD PRO A 449 27.172 2.475 -2.577 1.00 11.49 C ATOM 0 HA PRO A 449 24.984 2.695 -4.913 1.00 12.23 H new ATOM 0 HB2 PRO A 449 27.617 3.113 -5.798 1.00 12.72 H new ATOM 0 HB3 PRO A 449 26.774 4.276 -4.793 1.00 12.72 H new ATOM 0 HG2 PRO A 449 28.763 2.167 -3.988 1.00 12.39 H new ATOM 0 HG3 PRO A 449 28.619 3.820 -3.423 1.00 12.39 H new ATOM 0 HD2 PRO A 449 27.692 1.770 -1.928 1.00 11.49 H new ATOM 0 HD3 PRO A 449 26.849 3.306 -1.950 1.00 11.49 H new ATOM 1362 N LEU A 450 25.077 0.849 -6.438 1.00 13.55 N ATOM 1363 CA LEU A 450 25.079 -0.239 -7.408 1.00 14.50 C ATOM 1364 C LEU A 450 23.751 -0.268 -8.161 1.00 14.96 C ATOM 1365 O LEU A 450 23.150 -1.325 -8.354 1.00 15.17 O ATOM 1366 CB LEU A 450 25.316 -1.577 -6.703 1.00 15.07 C ATOM 1367 CG LEU A 450 25.491 -2.778 -7.631 1.00 15.25 C ATOM 1368 CD1 LEU A 450 26.749 -2.629 -8.472 1.00 15.76 C ATOM 1369 CD2 LEU A 450 25.530 -4.070 -6.830 1.00 15.35 C ATOM 0 H LEU A 450 24.220 1.401 -6.433 1.00 13.55 H new ATOM 0 HA LEU A 450 25.886 -0.074 -8.121 1.00 14.50 H new ATOM 0 HB2 LEU A 450 26.205 -1.488 -6.078 1.00 15.07 H new ATOM 0 HB3 LEU A 450 24.476 -1.772 -6.036 1.00 15.07 H new ATOM 0 HG LEU A 450 24.635 -2.818 -8.305 1.00 15.25 H new ATOM 0 HD11 LEU A 450 26.854 -3.495 -9.126 1.00 15.76 H new ATOM 0 HD12 LEU A 450 26.678 -1.725 -9.076 1.00 15.76 H new ATOM 0 HD13 LEU A 450 27.618 -2.560 -7.818 1.00 15.76 H new ATOM 0 HD21 LEU A 450 25.655 -4.915 -7.508 1.00 15.35 H new ATOM 0 HD22 LEU A 450 26.365 -4.039 -6.130 1.00 15.35 H new ATOM 0 HD23 LEU A 450 24.598 -4.184 -6.277 1.00 15.35 H new ATOM 1381 N ALA A 451 23.293 0.910 -8.575 1.00 15.28 N ATOM 1382 CA ALA A 451 22.032 1.036 -9.298 1.00 15.91 C ATOM 1383 C ALA A 451 21.825 2.469 -9.779 1.00 16.47 C ATOM 1384 O ALA A 451 22.307 3.415 -9.155 1.00 16.74 O ATOM 1385 CB ALA A 451 20.872 0.605 -8.412 1.00 16.18 C ATOM 0 H ALA A 451 23.779 1.794 -8.421 1.00 15.28 H new ATOM 0 HA ALA A 451 22.070 0.384 -10.171 1.00 15.91 H new ATOM 0 HB1 ALA A 451 19.937 0.704 -8.963 1.00 16.18 H new ATOM 0 HB2 ALA A 451 21.009 -0.434 -8.113 1.00 16.18 H new ATOM 0 HB3 ALA A 451 20.838 1.236 -7.524 1.00 16.18 H new ATOM 1391 N PRO A 452 21.107 2.654 -10.904 1.00 16.82 N ATOM 1392 CA PRO A 452 20.848 3.986 -11.462 1.00 17.52 C ATOM 1393 C PRO A 452 19.844 4.790 -10.635 1.00 18.21 C ATOM 1394 O PRO A 452 19.115 5.627 -11.171 1.00 18.53 O ATOM 1395 CB PRO A 452 20.275 3.681 -12.846 1.00 17.79 C ATOM 1396 CG PRO A 452 19.650 2.337 -12.708 1.00 17.36 C ATOM 1397 CD PRO A 452 20.498 1.585 -11.719 1.00 16.73 C ATOM 0 HA PRO A 452 21.749 4.599 -11.479 1.00 17.52 H new ATOM 0 HB2 PRO A 452 19.542 4.430 -13.145 1.00 17.79 H new ATOM 0 HB3 PRO A 452 21.056 3.678 -13.606 1.00 17.79 H new ATOM 0 HG2 PRO A 452 18.621 2.419 -12.357 1.00 17.36 H new ATOM 0 HG3 PRO A 452 19.619 1.821 -13.667 1.00 17.36 H new ATOM 0 HD2 PRO A 452 19.899 0.908 -11.110 1.00 16.73 H new ATOM 0 HD3 PRO A 452 21.255 0.980 -12.218 1.00 16.73 H new ATOM 1405 N ASP A 453 19.816 4.540 -9.329 1.00 18.57 N ATOM 1406 CA ASP A 453 18.911 5.248 -8.431 1.00 19.36 C ATOM 1407 C ASP A 453 19.419 6.660 -8.160 1.00 19.52 C ATOM 1408 O ASP A 453 20.625 6.901 -8.149 1.00 19.55 O ATOM 1409 CB ASP A 453 18.750 4.481 -7.114 1.00 19.71 C ATOM 1410 CG ASP A 453 20.069 4.244 -6.402 1.00 20.25 C ATOM 1411 OD1 ASP A 453 21.122 4.636 -6.947 1.00 20.48 O ATOM 1412 OD2 ASP A 453 20.048 3.659 -5.298 1.00 20.55 O ATOM 0 H ASP A 453 20.411 3.851 -8.869 1.00 18.57 H new ATOM 0 HA ASP A 453 17.937 5.317 -8.915 1.00 19.36 H new ATOM 0 HB2 ASP A 453 18.082 5.037 -6.455 1.00 19.71 H new ATOM 0 HB3 ASP A 453 18.274 3.521 -7.315 1.00 19.71 H new ATOM 1417 N GLN A 454 18.489 7.590 -7.949 1.00 19.77 N ATOM 1418 CA GLN A 454 18.842 8.983 -7.681 1.00 20.09 C ATOM 1419 C GLN A 454 19.569 9.600 -8.872 1.00 20.37 C ATOM 1420 O GLN A 454 18.903 10.270 -9.688 1.00 20.63 O ATOM 1421 CB GLN A 454 19.714 9.081 -6.426 1.00 20.30 C ATOM 1422 CG GLN A 454 20.147 10.500 -6.091 1.00 20.53 C ATOM 1423 CD GLN A 454 21.061 10.559 -4.882 1.00 20.93 C ATOM 1424 OE1 GLN A 454 22.122 9.935 -4.861 1.00 21.22 O ATOM 1425 NE2 GLN A 454 20.655 11.316 -3.870 1.00 21.08 N ATOM 1426 OXT GLN A 454 20.799 9.410 -8.978 1.00 20.45 O ATOM 0 H GLN A 454 17.486 7.404 -7.958 1.00 19.77 H new ATOM 0 HA GLN A 454 17.919 9.539 -7.515 1.00 20.09 H new ATOM 0 HB2 GLN A 454 19.165 8.669 -5.580 1.00 20.30 H new ATOM 0 HB3 GLN A 454 20.601 8.462 -6.562 1.00 20.30 H new ATOM 0 HG2 GLN A 454 20.659 10.933 -6.951 1.00 20.53 H new ATOM 0 HG3 GLN A 454 19.264 11.111 -5.905 1.00 20.53 H new ATOM 0 HE21 GLN A 454 19.768 11.816 -3.931 1.00 21.08 H new ATOM 0 HE22 GLN A 454 21.230 11.398 -3.032 1.00 21.08 H new TER 1435 GLN A 454