USER MOD reduce.3.24.130724 H: found=0, std=0, add=702, rem=0, adj=16 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 372 LYS NZ :NH3+ 140:sc= -2.95! (180deg=-5.36!) USER MOD Set 1.2: A 400 SER OG : rot -140:sc= 0.00134 USER MOD Set 1.3: A 412 TYR OH : rot 120:sc= -0.308 USER MOD Set 2.1: A 391 THR OG1 : rot -76:sc= 1.23 USER MOD Set 2.2: A 393 HIS : no HD1:sc= -0.619 X(o=0.61,f=0.72) USER MOD Single : A 364 SER OG : rot 24:sc= 0.0638 USER MOD Single : A 365 HIS : no HD1:sc= -1.58! K(o=-1.6!,f=-0.029) USER MOD Single : A 366 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 370 MET CE :methyl -156:sc= -3.37! (180deg=-4.78!) USER MOD Single : A 371 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 376 SER OG : rot -61:sc= 0.24 USER MOD Single : A 378 ASN : amide:sc= -2.3! K(o=-2.3!,f=-0.66) USER MOD Single : A 381 LYS NZ :NH3+ 137:sc= -0.717 (180deg=-1.36) USER MOD Single : A 383 TYR OH : rot 180:sc= 0 USER MOD Single : A 396 GLN : amide:sc= -0.254 X(o=-0.25,f=-0.11) USER MOD Single : A 399 GLN : amide:sc= 0 X(o=0,f=-0.093) USER MOD Single : A 402 THR OG1 : rot 62:sc= 0.0111 USER MOD Single : A 403 THR OG1 : rot -159:sc= -0.686 USER MOD Single : A 405 ASN : amide:sc= -3.27! K(o=-3.3!,f=-0.56) USER MOD Single : A 413 TYR OH : rot 180:sc= 0 USER MOD Single : A 415 HIS : no HE2:sc= 0.0184 K(o=0.018,f=-1.1) USER MOD Single : A 416 TYR OH : rot 180:sc= 0 USER MOD Single : A 420 ASN : amide:sc= -0.228 X(o=-0.23,f=-0.23) USER MOD Single : A 430 HIS : no HD1:sc= -1.4 K(o=-1.4,f=-3.6!) USER MOD Single : A 433 SER OG : rot 4:sc= 0.954 USER MOD Single : A 435 ASN : amide:sc= -0.88 K(o=-0.88,f=-3.7) USER MOD Single : A 443 THR OG1 : rot -54:sc= 0.661 USER MOD Single : A 454 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 363 -17.808 -18.037 0.684 1.00 11.64 N ATOM 2 CA GLY A 363 -16.436 -17.468 0.575 1.00 11.03 C ATOM 3 C GLY A 363 -15.483 -18.391 -0.157 1.00 10.23 C ATOM 4 O GLY A 363 -15.837 -18.972 -1.183 1.00 10.21 O ATOM 0 HA2 GLY A 363 -16.483 -16.512 0.054 1.00 11.03 H new ATOM 0 HA3 GLY A 363 -16.048 -17.268 1.574 1.00 11.03 H new ATOM 10 N SER A 364 -14.271 -18.530 0.375 1.00 9.80 N ATOM 11 CA SER A 364 -13.259 -19.391 -0.230 1.00 9.25 C ATOM 12 C SER A 364 -12.019 -19.468 0.654 1.00 8.36 C ATOM 13 O SER A 364 -11.488 -18.445 1.086 1.00 8.24 O ATOM 14 CB SER A 364 -12.873 -18.869 -1.614 1.00 9.60 C ATOM 15 OG SER A 364 -12.330 -17.563 -1.532 1.00 9.86 O ATOM 0 H SER A 364 -13.966 -18.056 1.225 1.00 9.80 H new ATOM 0 HA SER A 364 -13.682 -20.391 -0.331 1.00 9.25 H new ATOM 0 HB2 SER A 364 -12.146 -19.541 -2.070 1.00 9.60 H new ATOM 0 HB3 SER A 364 -13.750 -18.862 -2.261 1.00 9.60 H new ATOM 0 HG SER A 364 -11.963 -17.417 -0.635 1.00 9.86 H new ATOM 21 N HIS A 365 -11.562 -20.687 0.920 1.00 7.98 N ATOM 22 CA HIS A 365 -10.383 -20.896 1.753 1.00 7.35 C ATOM 23 C HIS A 365 -9.117 -20.470 1.017 1.00 6.30 C ATOM 24 O HIS A 365 -8.914 -20.827 -0.144 1.00 6.44 O ATOM 25 CB HIS A 365 -10.278 -22.364 2.169 1.00 7.88 C ATOM 26 CG HIS A 365 -9.142 -22.644 3.104 1.00 7.65 C ATOM 27 ND1 HIS A 365 -9.023 -22.051 4.344 1.00 7.18 N ATOM 28 CD2 HIS A 365 -8.069 -23.461 2.976 1.00 8.07 C ATOM 29 CE1 HIS A 365 -7.927 -22.489 4.936 1.00 7.26 C ATOM 30 NE2 HIS A 365 -7.331 -23.345 4.128 1.00 7.79 N ATOM 0 H HIS A 365 -11.990 -21.545 0.571 1.00 7.98 H new ATOM 0 HA HIS A 365 -10.487 -20.281 2.647 1.00 7.35 H new ATOM 0 HB2 HIS A 365 -11.211 -22.666 2.644 1.00 7.88 H new ATOM 0 HB3 HIS A 365 -10.162 -22.978 1.276 1.00 7.88 H new ATOM 0 HD2 HIS A 365 -7.837 -24.087 2.127 1.00 8.07 H new ATOM 0 HE1 HIS A 365 -7.578 -22.196 5.915 1.00 7.26 H new ATOM 0 HE2 HIS A 365 -6.462 -23.841 4.327 1.00 7.79 H new ATOM 39 N MET A 366 -8.269 -19.708 1.701 1.00 5.51 N ATOM 40 CA MET A 366 -7.018 -19.231 1.118 1.00 4.67 C ATOM 41 C MET A 366 -6.187 -18.495 2.164 1.00 4.56 C ATOM 42 O MET A 366 -6.669 -17.558 2.801 1.00 4.71 O ATOM 43 CB MET A 366 -7.304 -18.304 -0.066 1.00 4.15 C ATOM 44 CG MET A 366 -6.052 -17.776 -0.750 1.00 3.72 C ATOM 45 SD MET A 366 -6.426 -16.684 -2.134 1.00 3.31 S ATOM 46 CE MET A 366 -4.776 -16.249 -2.680 1.00 2.76 C ATOM 0 H MET A 366 -8.426 -19.406 2.663 1.00 5.51 H new ATOM 0 HA MET A 366 -6.453 -20.094 0.765 1.00 4.67 H new ATOM 0 HB2 MET A 366 -7.907 -18.841 -0.798 1.00 4.15 H new ATOM 0 HB3 MET A 366 -7.900 -17.460 0.281 1.00 4.15 H new ATOM 0 HG2 MET A 366 -5.444 -17.239 -0.022 1.00 3.72 H new ATOM 0 HG3 MET A 366 -5.455 -18.616 -1.106 1.00 3.72 H new ATOM 0 HE1 MET A 366 -4.841 -15.575 -3.534 1.00 2.76 H new ATOM 0 HE2 MET A 366 -4.242 -15.755 -1.868 1.00 2.76 H new ATOM 0 HE3 MET A 366 -4.239 -17.152 -2.971 1.00 2.76 H new ATOM 56 N ASP A 367 -4.937 -18.923 2.331 1.00 4.67 N ATOM 57 CA ASP A 367 -4.038 -18.306 3.294 1.00 4.80 C ATOM 58 C ASP A 367 -4.703 -18.182 4.664 1.00 4.50 C ATOM 59 O ASP A 367 -5.172 -17.107 5.040 1.00 4.10 O ATOM 60 CB ASP A 367 -3.593 -16.936 2.788 1.00 4.92 C ATOM 61 CG ASP A 367 -2.712 -17.036 1.559 1.00 5.55 C ATOM 62 OD1 ASP A 367 -3.179 -17.578 0.536 1.00 6.06 O ATOM 63 OD2 ASP A 367 -1.553 -16.572 1.619 1.00 5.80 O ATOM 0 H ASP A 367 -4.527 -19.697 1.809 1.00 4.67 H new ATOM 0 HA ASP A 367 -3.161 -18.944 3.405 1.00 4.80 H new ATOM 0 HB2 ASP A 367 -4.471 -16.334 2.555 1.00 4.92 H new ATOM 0 HB3 ASP A 367 -3.052 -16.417 3.579 1.00 4.92 H new ATOM 68 N PRO A 368 -4.766 -19.293 5.425 1.00 4.98 N ATOM 69 CA PRO A 368 -5.388 -19.310 6.755 1.00 5.12 C ATOM 70 C PRO A 368 -4.539 -18.614 7.818 1.00 5.15 C ATOM 71 O PRO A 368 -4.444 -19.081 8.954 1.00 5.66 O ATOM 72 CB PRO A 368 -5.510 -20.803 7.064 1.00 5.90 C ATOM 73 CG PRO A 368 -4.406 -21.440 6.293 1.00 6.16 C ATOM 74 CD PRO A 368 -4.244 -20.619 5.042 1.00 5.69 C ATOM 0 HA PRO A 368 -6.337 -18.773 6.764 1.00 5.12 H new ATOM 0 HB2 PRO A 368 -5.410 -20.996 8.132 1.00 5.90 H new ATOM 0 HB3 PRO A 368 -6.482 -21.192 6.760 1.00 5.90 H new ATOM 0 HG2 PRO A 368 -3.483 -21.454 6.873 1.00 6.16 H new ATOM 0 HG3 PRO A 368 -4.646 -22.475 6.051 1.00 6.16 H new ATOM 0 HD2 PRO A 368 -3.201 -20.564 4.731 1.00 5.69 H new ATOM 0 HD3 PRO A 368 -4.803 -21.044 4.209 1.00 5.69 H new ATOM 82 N LEU A 369 -3.930 -17.494 7.445 1.00 4.84 N ATOM 83 CA LEU A 369 -3.097 -16.729 8.361 1.00 5.12 C ATOM 84 C LEU A 369 -2.761 -15.366 7.763 1.00 4.61 C ATOM 85 O LEU A 369 -2.789 -14.349 8.458 1.00 4.91 O ATOM 86 CB LEU A 369 -1.812 -17.498 8.685 1.00 5.80 C ATOM 87 CG LEU A 369 -0.774 -17.577 7.559 1.00 6.34 C ATOM 88 CD1 LEU A 369 0.508 -18.217 8.067 1.00 6.73 C ATOM 89 CD2 LEU A 369 -1.317 -18.358 6.372 1.00 6.94 C ATOM 0 H LEU A 369 -3.999 -17.095 6.509 1.00 4.84 H new ATOM 0 HA LEU A 369 -3.653 -16.576 9.286 1.00 5.12 H new ATOM 0 HB2 LEU A 369 -1.343 -17.034 9.553 1.00 5.80 H new ATOM 0 HB3 LEU A 369 -2.083 -18.513 8.974 1.00 5.80 H new ATOM 0 HG LEU A 369 -0.555 -16.562 7.228 1.00 6.34 H new ATOM 0 HD11 LEU A 369 1.236 -18.267 7.257 1.00 6.73 H new ATOM 0 HD12 LEU A 369 0.914 -17.620 8.884 1.00 6.73 H new ATOM 0 HD13 LEU A 369 0.295 -19.224 8.425 1.00 6.73 H new ATOM 0 HD21 LEU A 369 -0.562 -18.399 5.587 1.00 6.94 H new ATOM 0 HD22 LEU A 369 -1.569 -19.371 6.687 1.00 6.94 H new ATOM 0 HD23 LEU A 369 -2.211 -17.864 5.990 1.00 6.94 H new ATOM 101 N MET A 370 -2.453 -15.354 6.470 1.00 4.12 N ATOM 102 CA MET A 370 -2.123 -14.119 5.770 1.00 3.87 C ATOM 103 C MET A 370 -3.384 -13.500 5.168 1.00 3.02 C ATOM 104 O MET A 370 -3.403 -13.090 4.007 1.00 3.06 O ATOM 105 CB MET A 370 -1.078 -14.394 4.679 1.00 4.63 C ATOM 106 CG MET A 370 -0.571 -13.152 3.950 1.00 5.03 C ATOM 107 SD MET A 370 0.304 -11.992 5.025 1.00 5.63 S ATOM 108 CE MET A 370 -1.057 -11.113 5.792 1.00 5.52 C ATOM 0 H MET A 370 -2.425 -16.189 5.885 1.00 4.12 H new ATOM 0 HA MET A 370 -1.700 -13.410 6.482 1.00 3.87 H new ATOM 0 HB2 MET A 370 -0.228 -14.905 5.131 1.00 4.63 H new ATOM 0 HB3 MET A 370 -1.509 -15.077 3.947 1.00 4.63 H new ATOM 0 HG2 MET A 370 0.094 -13.460 3.143 1.00 5.03 H new ATOM 0 HG3 MET A 370 -1.416 -12.641 3.489 1.00 5.03 H new ATOM 0 HE1 MET A 370 -0.715 -10.133 6.126 1.00 5.52 H new ATOM 0 HE2 MET A 370 -1.864 -10.989 5.069 1.00 5.52 H new ATOM 0 HE3 MET A 370 -1.421 -11.681 6.648 1.00 5.52 H new ATOM 118 N GLN A 371 -4.447 -13.448 5.967 1.00 2.80 N ATOM 119 CA GLN A 371 -5.714 -12.891 5.513 1.00 2.63 C ATOM 120 C GLN A 371 -5.573 -11.416 5.157 1.00 2.21 C ATOM 121 O GLN A 371 -4.862 -10.666 5.826 1.00 2.80 O ATOM 122 CB GLN A 371 -6.798 -13.069 6.578 1.00 3.46 C ATOM 123 CG GLN A 371 -7.069 -14.522 6.932 1.00 3.91 C ATOM 124 CD GLN A 371 -8.195 -14.679 7.935 1.00 4.54 C ATOM 125 OE1 GLN A 371 -9.327 -14.263 7.685 1.00 4.97 O ATOM 126 NE2 GLN A 371 -7.889 -15.283 9.077 1.00 5.04 N ATOM 0 H GLN A 371 -4.454 -13.785 6.930 1.00 2.80 H new ATOM 0 HA GLN A 371 -6.008 -13.435 4.615 1.00 2.63 H new ATOM 0 HB2 GLN A 371 -6.501 -12.533 7.480 1.00 3.46 H new ATOM 0 HB3 GLN A 371 -7.722 -12.611 6.224 1.00 3.46 H new ATOM 0 HG2 GLN A 371 -7.317 -15.073 6.025 1.00 3.91 H new ATOM 0 HG3 GLN A 371 -6.161 -14.968 7.338 1.00 3.91 H new ATOM 0 HE21 GLN A 371 -6.937 -15.612 9.241 1.00 5.04 H new ATOM 0 HE22 GLN A 371 -8.605 -15.418 9.790 1.00 5.04 H new ATOM 135 N LYS A 372 -6.260 -11.016 4.096 1.00 1.82 N ATOM 136 CA LYS A 372 -6.233 -9.637 3.625 1.00 1.77 C ATOM 137 C LYS A 372 -6.636 -8.662 4.728 1.00 1.50 C ATOM 138 O LYS A 372 -7.543 -8.939 5.514 1.00 1.89 O ATOM 139 CB LYS A 372 -7.180 -9.486 2.434 1.00 2.26 C ATOM 140 CG LYS A 372 -8.604 -9.922 2.743 1.00 2.93 C ATOM 141 CD LYS A 372 -9.505 -9.855 1.517 1.00 3.98 C ATOM 142 CE LYS A 372 -9.772 -8.421 1.077 1.00 4.77 C ATOM 143 NZ LYS A 372 -8.552 -7.756 0.542 1.00 5.39 N ATOM 0 H LYS A 372 -6.850 -11.635 3.539 1.00 1.82 H new ATOM 0 HA LYS A 372 -5.213 -9.401 3.323 1.00 1.77 H new ATOM 0 HB2 LYS A 372 -7.187 -8.444 2.113 1.00 2.26 H new ATOM 0 HB3 LYS A 372 -6.800 -10.074 1.599 1.00 2.26 H new ATOM 0 HG2 LYS A 372 -8.594 -10.941 3.129 1.00 2.93 H new ATOM 0 HG3 LYS A 372 -9.014 -9.287 3.528 1.00 2.93 H new ATOM 0 HD2 LYS A 372 -9.042 -10.405 0.697 1.00 3.98 H new ATOM 0 HD3 LYS A 372 -10.452 -10.348 1.737 1.00 3.98 H new ATOM 0 HE2 LYS A 372 -10.550 -8.417 0.313 1.00 4.77 H new ATOM 0 HE3 LYS A 372 -10.153 -7.849 1.923 1.00 4.77 H new ATOM 0 HZ1 LYS A 372 -8.806 -7.179 -0.285 1.00 5.39 H new ATOM 0 HZ2 LYS A 372 -8.139 -7.146 1.276 1.00 5.39 H new ATOM 0 HZ3 LYS A 372 -7.858 -8.478 0.261 1.00 5.39 H new ATOM 157 N ILE A 373 -5.960 -7.516 4.777 1.00 1.42 N ATOM 158 CA ILE A 373 -6.255 -6.496 5.780 1.00 1.22 C ATOM 159 C ILE A 373 -7.699 -6.023 5.661 1.00 1.13 C ATOM 160 O ILE A 373 -8.175 -5.727 4.565 1.00 1.20 O ATOM 161 CB ILE A 373 -5.327 -5.272 5.641 1.00 1.16 C ATOM 162 CG1 ILE A 373 -3.869 -5.668 5.878 1.00 1.40 C ATOM 163 CG2 ILE A 373 -5.745 -4.176 6.613 1.00 1.26 C ATOM 164 CD1 ILE A 373 -2.901 -4.510 5.756 1.00 1.48 C ATOM 0 H ILE A 373 -5.206 -7.271 4.135 1.00 1.42 H new ATOM 0 HA ILE A 373 -6.091 -6.958 6.754 1.00 1.22 H new ATOM 0 HB ILE A 373 -5.416 -4.889 4.625 1.00 1.16 H new ATOM 0 HG12 ILE A 373 -3.777 -6.105 6.872 1.00 1.40 H new ATOM 0 HG13 ILE A 373 -3.590 -6.441 5.162 1.00 1.40 H new ATOM 0 HG21 ILE A 373 -5.080 -3.319 6.503 1.00 1.26 H new ATOM 0 HG22 ILE A 373 -6.769 -3.871 6.399 1.00 1.26 H new ATOM 0 HG23 ILE A 373 -5.685 -4.553 7.634 1.00 1.26 H new ATOM 0 HD11 ILE A 373 -1.886 -4.864 5.936 1.00 1.48 H new ATOM 0 HD12 ILE A 373 -2.965 -4.086 4.754 1.00 1.48 H new ATOM 0 HD13 ILE A 373 -3.154 -3.745 6.490 1.00 1.48 H new ATOM 176 N ASP A 374 -8.388 -5.949 6.793 1.00 1.16 N ATOM 177 CA ASP A 374 -9.757 -5.514 6.820 1.00 1.17 C ATOM 178 C ASP A 374 -9.839 -3.999 6.974 1.00 1.03 C ATOM 179 O ASP A 374 -9.224 -3.422 7.871 1.00 1.25 O ATOM 180 CB ASP A 374 -10.452 -6.200 7.983 1.00 1.40 C ATOM 181 CG ASP A 374 -10.699 -7.674 7.729 1.00 1.77 C ATOM 182 OD1 ASP A 374 -9.714 -8.414 7.524 1.00 2.17 O ATOM 183 OD2 ASP A 374 -11.877 -8.088 7.738 1.00 2.04 O ATOM 0 H ASP A 374 -8.006 -6.190 7.707 1.00 1.16 H new ATOM 0 HA ASP A 374 -10.245 -5.778 5.882 1.00 1.17 H new ATOM 0 HB2 ASP A 374 -9.845 -6.087 8.881 1.00 1.40 H new ATOM 0 HB3 ASP A 374 -11.403 -5.704 8.176 1.00 1.40 H new ATOM 188 N ILE A 375 -10.606 -3.363 6.098 1.00 0.84 N ATOM 189 CA ILE A 375 -10.773 -1.917 6.140 1.00 0.76 C ATOM 190 C ILE A 375 -11.978 -1.534 6.987 1.00 0.76 C ATOM 191 O ILE A 375 -11.975 -0.495 7.648 1.00 0.79 O ATOM 192 CB ILE A 375 -10.932 -1.320 4.729 1.00 0.77 C ATOM 193 CG1 ILE A 375 -9.664 -1.556 3.907 1.00 0.82 C ATOM 194 CG2 ILE A 375 -11.250 0.166 4.822 1.00 0.84 C ATOM 195 CD1 ILE A 375 -9.800 -1.141 2.458 1.00 0.92 C ATOM 0 H ILE A 375 -11.122 -3.826 5.350 1.00 0.84 H new ATOM 0 HA ILE A 375 -9.869 -1.507 6.590 1.00 0.76 H new ATOM 0 HB ILE A 375 -11.761 -1.817 4.225 1.00 0.77 H new ATOM 0 HG12 ILE A 375 -8.839 -1.005 4.359 1.00 0.82 H new ATOM 0 HG13 ILE A 375 -9.403 -2.613 3.951 1.00 0.82 H new ATOM 0 HG21 ILE A 375 -11.360 0.578 3.819 1.00 0.84 H new ATOM 0 HG22 ILE A 375 -12.178 0.305 5.376 1.00 0.84 H new ATOM 0 HG23 ILE A 375 -10.439 0.680 5.338 1.00 0.84 H new ATOM 0 HD11 ILE A 375 -8.864 -1.336 1.934 1.00 0.92 H new ATOM 0 HD12 ILE A 375 -10.603 -1.710 1.990 1.00 0.92 H new ATOM 0 HD13 ILE A 375 -10.031 -0.077 2.404 1.00 0.92 H new ATOM 207 N SER A 376 -13.007 -2.376 6.953 1.00 0.79 N ATOM 208 CA SER A 376 -14.230 -2.138 7.713 1.00 0.87 C ATOM 209 C SER A 376 -13.999 -2.354 9.204 1.00 0.96 C ATOM 210 O SER A 376 -14.599 -3.236 9.820 1.00 1.54 O ATOM 211 CB SER A 376 -15.345 -3.054 7.216 1.00 0.95 C ATOM 212 OG SER A 376 -16.549 -2.833 7.932 1.00 1.71 O ATOM 0 H SER A 376 -13.017 -3.235 6.403 1.00 0.79 H new ATOM 0 HA SER A 376 -14.527 -1.100 7.562 1.00 0.87 H new ATOM 0 HB2 SER A 376 -15.514 -2.881 6.153 1.00 0.95 H new ATOM 0 HB3 SER A 376 -15.040 -4.095 7.325 1.00 0.95 H new ATOM 0 HG SER A 376 -16.404 -3.024 8.882 1.00 1.71 H new ATOM 218 N GLU A 377 -13.118 -1.544 9.772 1.00 0.93 N ATOM 219 CA GLU A 377 -12.787 -1.630 11.183 1.00 1.03 C ATOM 220 C GLU A 377 -11.985 -0.411 11.600 1.00 0.87 C ATOM 221 O GLU A 377 -12.010 0.003 12.759 1.00 0.93 O ATOM 222 CB GLU A 377 -11.991 -2.902 11.470 1.00 1.18 C ATOM 223 CG GLU A 377 -10.676 -2.986 10.710 1.00 1.28 C ATOM 224 CD GLU A 377 -9.901 -4.254 11.018 1.00 1.54 C ATOM 225 OE1 GLU A 377 -10.394 -5.069 11.827 1.00 1.90 O ATOM 226 OE2 GLU A 377 -8.803 -4.433 10.449 1.00 1.92 O ATOM 0 H GLU A 377 -12.616 -0.813 9.269 1.00 0.93 H new ATOM 0 HA GLU A 377 -13.713 -1.664 11.757 1.00 1.03 H new ATOM 0 HB2 GLU A 377 -11.787 -2.958 12.539 1.00 1.18 H new ATOM 0 HB3 GLU A 377 -12.603 -3.768 11.216 1.00 1.18 H new ATOM 0 HG2 GLU A 377 -10.876 -2.938 9.640 1.00 1.28 H new ATOM 0 HG3 GLU A 377 -10.062 -2.120 10.958 1.00 1.28 H new ATOM 233 N ASN A 378 -11.279 0.162 10.634 1.00 0.71 N ATOM 234 CA ASN A 378 -10.460 1.346 10.877 1.00 0.61 C ATOM 235 C ASN A 378 -10.223 2.135 9.594 1.00 0.58 C ATOM 236 O ASN A 378 -9.086 2.291 9.147 1.00 0.59 O ATOM 237 CB ASN A 378 -9.126 0.960 11.520 1.00 0.62 C ATOM 238 CG ASN A 378 -9.219 0.788 13.027 1.00 1.15 C ATOM 239 OD1 ASN A 378 -8.537 -0.059 13.605 1.00 1.16 O ATOM 240 ND2 ASN A 378 -10.028 1.618 13.681 1.00 2.14 N ATOM 0 H ASN A 378 -11.256 -0.174 9.671 1.00 0.71 H new ATOM 0 HA ASN A 378 -11.008 1.987 11.568 1.00 0.61 H new ATOM 0 HB2 ASN A 378 -8.771 0.030 11.075 1.00 0.62 H new ATOM 0 HB3 ASN A 378 -8.385 1.726 11.293 1.00 0.62 H new ATOM 0 HD21 ASN A 378 -10.099 1.566 14.697 1.00 2.14 H new ATOM 0 HD22 ASN A 378 -10.577 2.306 13.166 1.00 2.14 H new ATOM 247 N PRO A 379 -11.306 2.647 8.987 1.00 0.62 N ATOM 248 CA PRO A 379 -11.232 3.434 7.750 1.00 0.65 C ATOM 249 C PRO A 379 -10.249 4.597 7.847 1.00 0.61 C ATOM 250 O PRO A 379 -9.514 4.881 6.902 1.00 0.62 O ATOM 251 CB PRO A 379 -12.656 3.972 7.608 1.00 0.77 C ATOM 252 CG PRO A 379 -13.505 2.962 8.286 1.00 0.85 C ATOM 253 CD PRO A 379 -12.698 2.501 9.462 1.00 0.75 C ATOM 0 HA PRO A 379 -10.883 2.836 6.908 1.00 0.65 H new ATOM 0 HB2 PRO A 379 -12.758 4.953 8.073 1.00 0.77 H new ATOM 0 HB3 PRO A 379 -12.935 4.086 6.560 1.00 0.77 H new ATOM 0 HG2 PRO A 379 -14.454 3.394 8.604 1.00 0.85 H new ATOM 0 HG3 PRO A 379 -13.740 2.132 7.619 1.00 0.85 H new ATOM 0 HD2 PRO A 379 -12.889 3.109 10.346 1.00 0.75 H new ATOM 0 HD3 PRO A 379 -12.927 1.469 9.729 1.00 0.75 H new ATOM 261 N ASP A 380 -10.253 5.277 8.992 1.00 0.62 N ATOM 262 CA ASP A 380 -9.372 6.420 9.210 1.00 0.64 C ATOM 263 C ASP A 380 -7.913 5.994 9.336 1.00 0.55 C ATOM 264 O ASP A 380 -7.011 6.733 8.943 1.00 0.55 O ATOM 265 CB ASP A 380 -9.795 7.193 10.460 1.00 0.75 C ATOM 266 CG ASP A 380 -11.212 7.728 10.362 1.00 0.86 C ATOM 267 OD1 ASP A 380 -11.858 7.506 9.317 1.00 1.21 O ATOM 268 OD2 ASP A 380 -11.677 8.364 11.332 1.00 1.20 O ATOM 0 H ASP A 380 -10.858 5.055 9.783 1.00 0.62 H new ATOM 0 HA ASP A 380 -9.461 7.067 8.338 1.00 0.64 H new ATOM 0 HB2 ASP A 380 -9.716 6.541 11.330 1.00 0.75 H new ATOM 0 HB3 ASP A 380 -9.107 8.023 10.620 1.00 0.75 H new ATOM 273 N LYS A 381 -7.687 4.805 9.897 1.00 0.51 N ATOM 274 CA LYS A 381 -6.332 4.289 10.084 1.00 0.47 C ATOM 275 C LYS A 381 -5.487 4.507 8.832 1.00 0.39 C ATOM 276 O LYS A 381 -5.885 4.137 7.728 1.00 0.37 O ATOM 277 CB LYS A 381 -6.376 2.804 10.440 1.00 0.50 C ATOM 278 CG LYS A 381 -5.007 2.194 10.680 1.00 0.52 C ATOM 279 CD LYS A 381 -5.118 0.772 11.197 1.00 0.59 C ATOM 280 CE LYS A 381 -3.750 0.160 11.440 1.00 0.67 C ATOM 281 NZ LYS A 381 -2.964 0.037 10.180 1.00 1.66 N ATOM 0 H LYS A 381 -8.424 4.183 10.229 1.00 0.51 H new ATOM 0 HA LYS A 381 -5.870 4.836 10.906 1.00 0.47 H new ATOM 0 HB2 LYS A 381 -6.985 2.672 11.334 1.00 0.50 H new ATOM 0 HB3 LYS A 381 -6.870 2.261 9.635 1.00 0.50 H new ATOM 0 HG2 LYS A 381 -4.436 2.202 9.752 1.00 0.52 H new ATOM 0 HG3 LYS A 381 -4.457 2.802 11.398 1.00 0.52 H new ATOM 0 HD2 LYS A 381 -5.691 0.765 12.124 1.00 0.59 H new ATOM 0 HD3 LYS A 381 -5.667 0.164 10.478 1.00 0.59 H new ATOM 0 HE2 LYS A 381 -3.199 0.774 12.153 1.00 0.67 H new ATOM 0 HE3 LYS A 381 -3.868 -0.825 11.892 1.00 0.67 H new ATOM 0 HZ1 LYS A 381 -1.982 0.331 10.354 1.00 1.66 H new ATOM 0 HZ2 LYS A 381 -2.978 -0.952 9.857 1.00 1.66 H new ATOM 0 HZ3 LYS A 381 -3.383 0.646 9.449 1.00 1.66 H new ATOM 295 N ILE A 382 -4.326 5.127 9.017 1.00 0.40 N ATOM 296 CA ILE A 382 -3.423 5.417 7.909 1.00 0.35 C ATOM 297 C ILE A 382 -2.488 4.241 7.629 1.00 0.34 C ATOM 298 O ILE A 382 -1.799 3.757 8.527 1.00 0.41 O ATOM 299 CB ILE A 382 -2.578 6.674 8.207 1.00 0.37 C ATOM 300 CG1 ILE A 382 -3.481 7.850 8.595 1.00 0.38 C ATOM 301 CG2 ILE A 382 -1.717 7.038 7.007 1.00 0.41 C ATOM 302 CD1 ILE A 382 -4.464 8.253 7.514 1.00 0.37 C ATOM 0 H ILE A 382 -3.988 5.439 9.927 1.00 0.40 H new ATOM 0 HA ILE A 382 -4.041 5.593 7.029 1.00 0.35 H new ATOM 0 HB ILE A 382 -1.920 6.452 9.047 1.00 0.37 H new ATOM 0 HG12 ILE A 382 -4.035 7.588 9.496 1.00 0.38 H new ATOM 0 HG13 ILE A 382 -2.857 8.708 8.843 1.00 0.38 H new ATOM 0 HG21 ILE A 382 -1.129 7.927 7.237 1.00 0.41 H new ATOM 0 HG22 ILE A 382 -1.047 6.210 6.775 1.00 0.41 H new ATOM 0 HG23 ILE A 382 -2.357 7.239 6.148 1.00 0.41 H new ATOM 0 HD11 ILE A 382 -5.067 9.091 7.864 1.00 0.37 H new ATOM 0 HD12 ILE A 382 -3.918 8.548 6.618 1.00 0.37 H new ATOM 0 HD13 ILE A 382 -5.115 7.410 7.282 1.00 0.37 H new ATOM 314 N TYR A 383 -2.456 3.798 6.374 1.00 0.30 N ATOM 315 CA TYR A 383 -1.589 2.692 5.973 1.00 0.30 C ATOM 316 C TYR A 383 -0.430 3.216 5.134 1.00 0.28 C ATOM 317 O TYR A 383 -0.597 4.151 4.355 1.00 0.25 O ATOM 318 CB TYR A 383 -2.372 1.642 5.179 1.00 0.32 C ATOM 319 CG TYR A 383 -3.541 1.043 5.930 1.00 0.36 C ATOM 320 CD1 TYR A 383 -4.696 1.778 6.164 1.00 0.40 C ATOM 321 CD2 TYR A 383 -3.487 -0.261 6.409 1.00 0.48 C ATOM 322 CE1 TYR A 383 -5.764 1.232 6.851 1.00 0.48 C ATOM 323 CE2 TYR A 383 -4.550 -0.814 7.096 1.00 0.55 C ATOM 324 CZ TYR A 383 -5.686 -0.063 7.314 1.00 0.52 C ATOM 325 OH TYR A 383 -6.747 -0.611 7.998 1.00 0.63 O ATOM 0 H TYR A 383 -3.020 4.187 5.618 1.00 0.30 H new ATOM 0 HA TYR A 383 -1.199 2.221 6.875 1.00 0.30 H new ATOM 0 HB2 TYR A 383 -2.740 2.098 4.260 1.00 0.32 H new ATOM 0 HB3 TYR A 383 -1.692 0.841 4.888 1.00 0.32 H new ATOM 0 HD1 TYR A 383 -4.761 2.794 5.803 1.00 0.40 H new ATOM 0 HD2 TYR A 383 -2.599 -0.852 6.241 1.00 0.48 H new ATOM 0 HE1 TYR A 383 -6.655 1.818 7.024 1.00 0.48 H new ATOM 0 HE2 TYR A 383 -4.492 -1.829 7.460 1.00 0.55 H new ATOM 0 HH TYR A 383 -6.531 -1.532 8.254 1.00 0.63 H new ATOM 335 N PHE A 384 0.743 2.617 5.295 1.00 0.31 N ATOM 336 CA PHE A 384 1.916 3.045 4.543 1.00 0.30 C ATOM 337 C PHE A 384 2.042 2.259 3.239 1.00 0.28 C ATOM 338 O PHE A 384 1.825 1.047 3.214 1.00 0.33 O ATOM 339 CB PHE A 384 3.190 2.886 5.377 1.00 0.40 C ATOM 340 CG PHE A 384 3.072 3.399 6.788 1.00 0.48 C ATOM 341 CD1 PHE A 384 2.313 2.714 7.724 1.00 0.83 C ATOM 342 CD2 PHE A 384 3.721 4.560 7.179 1.00 0.57 C ATOM 343 CE1 PHE A 384 2.202 3.178 9.020 1.00 0.96 C ATOM 344 CE2 PHE A 384 3.614 5.028 8.475 1.00 0.64 C ATOM 345 CZ PHE A 384 2.852 4.357 9.389 1.00 0.74 C ATOM 0 H PHE A 384 0.907 1.839 5.934 1.00 0.31 H new ATOM 0 HA PHE A 384 1.789 4.101 4.303 1.00 0.30 H new ATOM 0 HB2 PHE A 384 3.462 1.831 5.407 1.00 0.40 H new ATOM 0 HB3 PHE A 384 4.005 3.411 4.878 1.00 0.40 H new ATOM 0 HD1 PHE A 384 1.802 1.807 7.436 1.00 0.83 H new ATOM 0 HD2 PHE A 384 4.317 5.105 6.462 1.00 0.57 H new ATOM 0 HE1 PHE A 384 1.616 2.632 9.744 1.00 0.96 H new ATOM 0 HE2 PHE A 384 4.135 5.928 8.766 1.00 0.64 H new ATOM 0 HZ PHE A 384 2.753 4.738 10.395 1.00 0.74 H new ATOM 355 N ILE A 385 2.391 2.955 2.158 1.00 0.26 N ATOM 356 CA ILE A 385 2.541 2.312 0.855 1.00 0.27 C ATOM 357 C ILE A 385 3.953 2.512 0.309 1.00 0.24 C ATOM 358 O ILE A 385 4.439 3.639 0.218 1.00 0.30 O ATOM 359 CB ILE A 385 1.533 2.855 -0.183 1.00 0.33 C ATOM 360 CG1 ILE A 385 0.096 2.799 0.351 1.00 0.32 C ATOM 361 CG2 ILE A 385 1.645 2.064 -1.479 1.00 0.49 C ATOM 362 CD1 ILE A 385 -0.210 3.850 1.396 1.00 0.32 C ATOM 0 H ILE A 385 2.574 3.958 2.159 1.00 0.26 H new ATOM 0 HA ILE A 385 2.346 1.251 1.013 1.00 0.27 H new ATOM 0 HB ILE A 385 1.776 3.900 -0.377 1.00 0.33 H new ATOM 0 HG12 ILE A 385 -0.596 2.917 -0.483 1.00 0.32 H new ATOM 0 HG13 ILE A 385 -0.085 1.812 0.778 1.00 0.32 H new ATOM 0 HG21 ILE A 385 0.931 2.453 -2.205 1.00 0.49 H new ATOM 0 HG22 ILE A 385 2.655 2.158 -1.877 1.00 0.49 H new ATOM 0 HG23 ILE A 385 1.428 1.014 -1.284 1.00 0.49 H new ATOM 0 HD11 ILE A 385 -1.244 3.746 1.725 1.00 0.32 H new ATOM 0 HD12 ILE A 385 0.456 3.720 2.249 1.00 0.32 H new ATOM 0 HD13 ILE A 385 -0.063 4.842 0.968 1.00 0.32 H new ATOM 374 N ARG A 386 4.603 1.413 -0.060 1.00 0.29 N ATOM 375 CA ARG A 386 5.958 1.470 -0.603 1.00 0.30 C ATOM 376 C ARG A 386 5.934 1.579 -2.123 1.00 0.33 C ATOM 377 O ARG A 386 5.378 0.719 -2.805 1.00 0.42 O ATOM 378 CB ARG A 386 6.744 0.224 -0.189 1.00 0.38 C ATOM 379 CG ARG A 386 8.164 0.184 -0.736 1.00 0.50 C ATOM 380 CD ARG A 386 8.865 -1.115 -0.370 1.00 1.02 C ATOM 381 NE ARG A 386 10.207 -1.204 -0.947 1.00 1.40 N ATOM 382 CZ ARG A 386 11.199 -0.364 -0.662 1.00 1.86 C ATOM 383 NH1 ARG A 386 11.011 0.630 0.195 1.00 2.42 N ATOM 384 NH2 ARG A 386 12.387 -0.520 -1.233 1.00 2.39 N ATOM 0 H ARG A 386 4.215 0.472 0.007 1.00 0.29 H new ATOM 0 HA ARG A 386 6.446 2.358 -0.200 1.00 0.30 H new ATOM 0 HB2 ARG A 386 6.782 0.175 0.899 1.00 0.38 H new ATOM 0 HB3 ARG A 386 6.208 -0.662 -0.530 1.00 0.38 H new ATOM 0 HG2 ARG A 386 8.141 0.293 -1.820 1.00 0.50 H new ATOM 0 HG3 ARG A 386 8.731 1.028 -0.343 1.00 0.50 H new ATOM 0 HD2 ARG A 386 8.932 -1.196 0.715 1.00 1.02 H new ATOM 0 HD3 ARG A 386 8.267 -1.958 -0.716 1.00 1.02 H new ATOM 0 HE ARG A 386 10.394 -1.957 -1.609 1.00 1.40 H new ATOM 0 HH11 ARG A 386 10.102 0.754 0.640 1.00 2.42 H new ATOM 0 HH12 ARG A 386 11.776 1.270 0.409 1.00 2.42 H new ATOM 0 HH21 ARG A 386 12.540 -1.284 -1.891 1.00 2.39 H new ATOM 0 HH22 ARG A 386 13.147 0.124 -1.014 1.00 2.39 H new ATOM 398 N ARG A 387 6.551 2.631 -2.653 1.00 0.41 N ATOM 399 CA ARG A 387 6.606 2.829 -4.097 1.00 0.51 C ATOM 400 C ARG A 387 7.747 2.024 -4.708 1.00 0.49 C ATOM 401 O ARG A 387 8.561 1.442 -3.991 1.00 0.47 O ATOM 402 CB ARG A 387 6.765 4.312 -4.437 1.00 0.63 C ATOM 403 CG ARG A 387 5.586 5.164 -3.999 1.00 0.84 C ATOM 404 CD ARG A 387 5.695 6.584 -4.533 1.00 0.94 C ATOM 405 NE ARG A 387 5.697 6.623 -5.995 1.00 1.32 N ATOM 406 CZ ARG A 387 4.644 6.312 -6.748 1.00 1.79 C ATOM 407 NH1 ARG A 387 3.481 6.009 -6.184 1.00 2.30 N ATOM 408 NH2 ARG A 387 4.749 6.324 -8.069 1.00 2.25 N ATOM 0 H ARG A 387 7.017 3.356 -2.107 1.00 0.41 H new ATOM 0 HA ARG A 387 5.666 2.476 -4.520 1.00 0.51 H new ATOM 0 HB2 ARG A 387 7.672 4.690 -3.964 1.00 0.63 H new ATOM 0 HB3 ARG A 387 6.899 4.417 -5.514 1.00 0.63 H new ATOM 0 HG2 ARG A 387 4.659 4.712 -4.351 1.00 0.84 H new ATOM 0 HG3 ARG A 387 5.537 5.186 -2.910 1.00 0.84 H new ATOM 0 HD2 ARG A 387 4.862 7.178 -4.156 1.00 0.94 H new ATOM 0 HD3 ARG A 387 6.609 7.043 -4.157 1.00 0.94 H new ATOM 0 HE ARG A 387 6.557 6.905 -6.466 1.00 1.32 H new ATOM 0 HH11 ARG A 387 3.390 6.014 -5.168 1.00 2.30 H new ATOM 0 HH12 ARG A 387 2.678 5.772 -6.767 1.00 2.30 H new ATOM 0 HH21 ARG A 387 5.636 6.571 -8.508 1.00 2.25 H new ATOM 0 HH22 ARG A 387 3.943 6.086 -8.647 1.00 2.25 H new ATOM 422 N GLU A 388 7.799 1.996 -6.036 1.00 0.64 N ATOM 423 CA GLU A 388 8.839 1.262 -6.751 1.00 0.69 C ATOM 424 C GLU A 388 10.224 1.667 -6.268 1.00 0.61 C ATOM 425 O GLU A 388 10.894 0.893 -5.584 1.00 0.63 O ATOM 426 CB GLU A 388 8.716 1.489 -8.259 1.00 0.88 C ATOM 427 CG GLU A 388 7.384 1.037 -8.837 1.00 1.58 C ATOM 428 CD GLU A 388 7.289 1.265 -10.335 1.00 2.20 C ATOM 429 OE1 GLU A 388 8.262 1.783 -10.921 1.00 2.82 O ATOM 430 OE2 GLU A 388 6.238 0.926 -10.920 1.00 2.65 O ATOM 0 H GLU A 388 7.131 2.474 -6.641 1.00 0.64 H new ATOM 0 HA GLU A 388 8.703 0.200 -6.544 1.00 0.69 H new ATOM 0 HB2 GLU A 388 8.853 2.549 -8.471 1.00 0.88 H new ATOM 0 HB3 GLU A 388 9.521 0.956 -8.765 1.00 0.88 H new ATOM 0 HG2 GLU A 388 7.241 -0.023 -8.625 1.00 1.58 H new ATOM 0 HG3 GLU A 388 6.576 1.573 -8.340 1.00 1.58 H new ATOM 437 N ASP A 389 10.647 2.880 -6.625 1.00 0.65 N ATOM 438 CA ASP A 389 11.954 3.392 -6.220 1.00 0.69 C ATOM 439 C ASP A 389 12.249 3.021 -4.770 1.00 0.64 C ATOM 440 O ASP A 389 13.399 2.792 -4.394 1.00 0.91 O ATOM 441 CB ASP A 389 12.010 4.911 -6.402 1.00 0.81 C ATOM 442 CG ASP A 389 10.819 5.613 -5.783 1.00 0.80 C ATOM 443 OD1 ASP A 389 10.620 5.475 -4.557 1.00 1.23 O ATOM 444 OD2 ASP A 389 10.085 6.302 -6.520 1.00 1.06 O ATOM 0 H ASP A 389 10.101 3.526 -7.195 1.00 0.65 H new ATOM 0 HA ASP A 389 12.714 2.936 -6.854 1.00 0.69 H new ATOM 0 HB2 ASP A 389 12.927 5.294 -5.954 1.00 0.81 H new ATOM 0 HB3 ASP A 389 12.053 5.145 -7.466 1.00 0.81 H new ATOM 449 N GLY A 390 11.191 2.940 -3.966 1.00 0.55 N ATOM 450 CA GLY A 390 11.337 2.571 -2.574 1.00 0.53 C ATOM 451 C GLY A 390 11.044 3.716 -1.624 1.00 0.55 C ATOM 452 O GLY A 390 11.723 3.877 -0.610 1.00 1.03 O ATOM 0 H GLY A 390 10.232 3.125 -4.259 1.00 0.55 H new ATOM 0 HA2 GLY A 390 10.666 1.741 -2.352 1.00 0.53 H new ATOM 0 HA3 GLY A 390 12.353 2.215 -2.403 1.00 0.53 H new ATOM 456 N THR A 391 10.026 4.507 -1.946 1.00 0.57 N ATOM 457 CA THR A 391 9.642 5.634 -1.105 1.00 0.54 C ATOM 458 C THR A 391 8.263 5.415 -0.496 1.00 0.41 C ATOM 459 O THR A 391 7.252 5.421 -1.199 1.00 0.44 O ATOM 460 CB THR A 391 9.649 6.961 -1.884 1.00 0.71 C ATOM 461 OG1 THR A 391 8.845 6.846 -3.064 1.00 0.98 O ATOM 462 CG2 THR A 391 11.069 7.354 -2.259 1.00 0.88 C ATOM 0 H THR A 391 9.453 4.389 -2.782 1.00 0.57 H new ATOM 0 HA THR A 391 10.384 5.697 -0.309 1.00 0.54 H new ATOM 0 HB THR A 391 9.231 7.738 -1.244 1.00 0.71 H new ATOM 0 HG1 THR A 391 9.330 6.329 -3.741 1.00 0.98 H new ATOM 0 HG21 THR A 391 11.053 8.295 -2.809 1.00 0.88 H new ATOM 0 HG22 THR A 391 11.665 7.473 -1.354 1.00 0.88 H new ATOM 0 HG23 THR A 391 11.509 6.576 -2.883 1.00 0.88 H new ATOM 470 N VAL A 392 8.237 5.213 0.815 1.00 0.37 N ATOM 471 CA VAL A 392 6.992 4.983 1.533 1.00 0.33 C ATOM 472 C VAL A 392 6.169 6.264 1.645 1.00 0.32 C ATOM 473 O VAL A 392 6.712 7.347 1.862 1.00 0.41 O ATOM 474 CB VAL A 392 7.265 4.428 2.944 1.00 0.45 C ATOM 475 CG1 VAL A 392 5.962 4.109 3.657 1.00 0.55 C ATOM 476 CG2 VAL A 392 8.156 3.197 2.868 1.00 0.52 C ATOM 0 H VAL A 392 9.069 5.204 1.405 1.00 0.37 H new ATOM 0 HA VAL A 392 6.423 4.249 0.962 1.00 0.33 H new ATOM 0 HB VAL A 392 7.786 5.192 3.520 1.00 0.45 H new ATOM 0 HG11 VAL A 392 6.178 3.718 4.652 1.00 0.55 H new ATOM 0 HG12 VAL A 392 5.364 5.016 3.745 1.00 0.55 H new ATOM 0 HG13 VAL A 392 5.408 3.363 3.087 1.00 0.55 H new ATOM 0 HG21 VAL A 392 8.339 2.818 3.873 1.00 0.52 H new ATOM 0 HG22 VAL A 392 7.663 2.427 2.274 1.00 0.52 H new ATOM 0 HG23 VAL A 392 9.105 3.463 2.402 1.00 0.52 H new ATOM 486 N HIS A 393 4.854 6.125 1.499 1.00 0.29 N ATOM 487 CA HIS A 393 3.938 7.259 1.583 1.00 0.31 C ATOM 488 C HIS A 393 2.595 6.817 2.155 1.00 0.27 C ATOM 489 O HIS A 393 2.052 5.787 1.757 1.00 0.26 O ATOM 490 CB HIS A 393 3.734 7.890 0.203 1.00 0.37 C ATOM 491 CG HIS A 393 4.966 8.533 -0.353 1.00 0.92 C ATOM 492 ND1 HIS A 393 5.606 9.589 0.260 1.00 1.92 N ATOM 493 CD2 HIS A 393 5.678 8.264 -1.474 1.00 0.94 C ATOM 494 CE1 HIS A 393 6.656 9.942 -0.459 1.00 2.43 C ATOM 495 NE2 HIS A 393 6.723 9.154 -1.515 1.00 1.82 N ATOM 0 H HIS A 393 4.396 5.231 1.321 1.00 0.29 H new ATOM 0 HA HIS A 393 4.378 8.003 2.247 1.00 0.31 H new ATOM 0 HB2 HIS A 393 3.391 7.122 -0.491 1.00 0.37 H new ATOM 0 HB3 HIS A 393 2.943 8.637 0.268 1.00 0.37 H new ATOM 0 HD2 HIS A 393 5.464 7.493 -2.200 1.00 0.94 H new ATOM 0 HE1 HIS A 393 7.344 10.741 -0.223 1.00 2.43 H new ATOM 0 HE2 HIS A 393 7.435 9.199 -2.244 1.00 1.82 H new ATOM 504 N ARG A 394 2.072 7.593 3.097 1.00 0.29 N ATOM 505 CA ARG A 394 0.800 7.276 3.737 1.00 0.28 C ATOM 506 C ARG A 394 -0.338 7.175 2.725 1.00 0.26 C ATOM 507 O ARG A 394 -0.322 7.831 1.683 1.00 0.32 O ATOM 508 CB ARG A 394 0.460 8.317 4.803 1.00 0.35 C ATOM 509 CG ARG A 394 1.496 8.411 5.910 1.00 0.42 C ATOM 510 CD ARG A 394 1.089 9.419 6.972 1.00 0.52 C ATOM 511 NE ARG A 394 0.966 10.767 6.429 1.00 1.34 N ATOM 512 CZ ARG A 394 0.670 11.834 7.167 1.00 2.01 C ATOM 513 NH1 ARG A 394 0.481 11.708 8.473 1.00 2.41 N ATOM 514 NH2 ARG A 394 0.567 13.026 6.598 1.00 2.96 N ATOM 0 H ARG A 394 2.511 8.449 3.436 1.00 0.29 H new ATOM 0 HA ARG A 394 0.913 6.301 4.211 1.00 0.28 H new ATOM 0 HB2 ARG A 394 0.358 9.293 4.328 1.00 0.35 H new ATOM 0 HB3 ARG A 394 -0.508 8.074 5.242 1.00 0.35 H new ATOM 0 HG2 ARG A 394 1.629 7.431 6.369 1.00 0.42 H new ATOM 0 HG3 ARG A 394 2.458 8.697 5.485 1.00 0.42 H new ATOM 0 HD2 ARG A 394 0.138 9.118 7.412 1.00 0.52 H new ATOM 0 HD3 ARG A 394 1.827 9.418 7.774 1.00 0.52 H new ATOM 0 HE ARG A 394 1.115 10.899 5.429 1.00 1.34 H new ATOM 0 HH11 ARG A 394 0.562 10.792 8.914 1.00 2.41 H new ATOM 0 HH12 ARG A 394 0.254 12.527 9.037 1.00 2.41 H new ATOM 0 HH21 ARG A 394 0.715 13.126 5.594 1.00 2.96 H new ATOM 0 HH22 ARG A 394 0.340 13.844 7.164 1.00 2.96 H new ATOM 528 N GLY A 395 -1.323 6.342 3.048 1.00 0.23 N ATOM 529 CA GLY A 395 -2.465 6.148 2.175 1.00 0.25 C ATOM 530 C GLY A 395 -3.544 5.294 2.820 1.00 0.23 C ATOM 531 O GLY A 395 -3.252 4.235 3.379 1.00 0.26 O ATOM 0 H GLY A 395 -1.349 5.794 3.908 1.00 0.23 H new ATOM 0 HA2 GLY A 395 -2.884 7.118 1.907 1.00 0.25 H new ATOM 0 HA3 GLY A 395 -2.136 5.676 1.249 1.00 0.25 H new ATOM 535 N GLN A 396 -4.790 5.754 2.748 1.00 0.29 N ATOM 536 CA GLN A 396 -5.915 5.026 3.332 1.00 0.34 C ATOM 537 C GLN A 396 -6.560 4.082 2.320 1.00 0.35 C ATOM 538 O GLN A 396 -7.193 4.528 1.362 1.00 0.46 O ATOM 539 CB GLN A 396 -6.968 5.999 3.868 1.00 0.43 C ATOM 540 CG GLN A 396 -6.530 6.751 5.116 1.00 0.50 C ATOM 541 CD GLN A 396 -7.628 7.636 5.676 1.00 0.64 C ATOM 542 OE1 GLN A 396 -8.760 7.195 5.867 1.00 1.28 O ATOM 543 NE2 GLN A 396 -7.291 8.885 5.967 1.00 0.61 N ATOM 0 H GLN A 396 -5.047 6.629 2.291 1.00 0.29 H new ATOM 0 HA GLN A 396 -5.521 4.430 4.155 1.00 0.34 H new ATOM 0 HB2 GLN A 396 -7.214 6.720 3.088 1.00 0.43 H new ATOM 0 HB3 GLN A 396 -7.881 5.446 4.090 1.00 0.43 H new ATOM 0 HG2 GLN A 396 -6.221 6.035 5.878 1.00 0.50 H new ATOM 0 HG3 GLN A 396 -5.659 7.363 4.881 1.00 0.50 H new ATOM 0 HE21 GLN A 396 -6.340 9.211 5.793 1.00 0.61 H new ATOM 0 HE22 GLN A 396 -7.983 9.520 6.365 1.00 0.61 H new ATOM 552 N VAL A 397 -6.412 2.780 2.548 1.00 0.33 N ATOM 553 CA VAL A 397 -6.999 1.782 1.658 1.00 0.33 C ATOM 554 C VAL A 397 -8.521 1.846 1.737 1.00 0.33 C ATOM 555 O VAL A 397 -9.088 1.926 2.828 1.00 0.37 O ATOM 556 CB VAL A 397 -6.533 0.356 2.015 1.00 0.38 C ATOM 557 CG1 VAL A 397 -6.888 -0.622 0.905 1.00 0.73 C ATOM 558 CG2 VAL A 397 -5.043 0.335 2.301 1.00 0.83 C ATOM 0 H VAL A 397 -5.894 2.393 3.337 1.00 0.33 H new ATOM 0 HA VAL A 397 -6.666 2.008 0.645 1.00 0.33 H new ATOM 0 HB VAL A 397 -7.055 0.042 2.919 1.00 0.38 H new ATOM 0 HG11 VAL A 397 -6.550 -1.621 1.179 1.00 0.73 H new ATOM 0 HG12 VAL A 397 -7.968 -0.632 0.760 1.00 0.73 H new ATOM 0 HG13 VAL A 397 -6.401 -0.315 -0.020 1.00 0.73 H new ATOM 0 HG21 VAL A 397 -4.735 -0.680 2.551 1.00 0.83 H new ATOM 0 HG22 VAL A 397 -4.498 0.673 1.419 1.00 0.83 H new ATOM 0 HG23 VAL A 397 -4.824 0.997 3.139 1.00 0.83 H new ATOM 568 N LEU A 398 -9.183 1.828 0.584 1.00 0.36 N ATOM 569 CA LEU A 398 -10.639 1.901 0.547 1.00 0.40 C ATOM 570 C LEU A 398 -11.255 0.663 -0.099 1.00 0.41 C ATOM 571 O LEU A 398 -12.243 0.122 0.399 1.00 0.47 O ATOM 572 CB LEU A 398 -11.083 3.152 -0.214 1.00 0.46 C ATOM 573 CG LEU A 398 -10.615 4.482 0.381 1.00 0.49 C ATOM 574 CD1 LEU A 398 -11.039 5.641 -0.507 1.00 1.16 C ATOM 575 CD2 LEU A 398 -11.166 4.662 1.788 1.00 1.45 C ATOM 0 H LEU A 398 -8.738 1.764 -0.331 1.00 0.36 H new ATOM 0 HA LEU A 398 -10.990 1.951 1.578 1.00 0.40 H new ATOM 0 HB2 LEU A 398 -10.717 3.083 -1.238 1.00 0.46 H new ATOM 0 HB3 LEU A 398 -12.172 3.159 -0.264 1.00 0.46 H new ATOM 0 HG LEU A 398 -9.526 4.469 0.436 1.00 0.49 H new ATOM 0 HD11 LEU A 398 -10.698 6.579 -0.069 1.00 1.16 H new ATOM 0 HD12 LEU A 398 -10.598 5.521 -1.497 1.00 1.16 H new ATOM 0 HD13 LEU A 398 -12.125 5.655 -0.593 1.00 1.16 H new ATOM 0 HD21 LEU A 398 -10.822 5.613 2.194 1.00 1.45 H new ATOM 0 HD22 LEU A 398 -12.255 4.653 1.756 1.00 1.45 H new ATOM 0 HD23 LEU A 398 -10.815 3.848 2.423 1.00 1.45 H new ATOM 587 N GLN A 399 -10.683 0.229 -1.216 1.00 0.39 N ATOM 588 CA GLN A 399 -11.197 -0.936 -1.931 1.00 0.43 C ATOM 589 C GLN A 399 -10.118 -1.995 -2.130 1.00 0.38 C ATOM 590 O GLN A 399 -8.951 -1.779 -1.806 1.00 0.35 O ATOM 591 CB GLN A 399 -11.762 -0.506 -3.286 1.00 0.49 C ATOM 592 CG GLN A 399 -12.904 0.491 -3.182 1.00 0.60 C ATOM 593 CD GLN A 399 -13.392 0.959 -4.539 1.00 1.36 C ATOM 594 OE1 GLN A 399 -12.631 1.533 -5.320 1.00 2.08 O ATOM 595 NE2 GLN A 399 -14.664 0.716 -4.826 1.00 2.04 N ATOM 0 H GLN A 399 -9.866 0.663 -1.646 1.00 0.39 H new ATOM 0 HA GLN A 399 -11.989 -1.377 -1.326 1.00 0.43 H new ATOM 0 HB2 GLN A 399 -10.961 -0.067 -3.881 1.00 0.49 H new ATOM 0 HB3 GLN A 399 -12.110 -1.389 -3.822 1.00 0.49 H new ATOM 0 HG2 GLN A 399 -13.732 0.035 -2.639 1.00 0.60 H new ATOM 0 HG3 GLN A 399 -12.578 1.353 -2.600 1.00 0.60 H new ATOM 0 HE21 GLN A 399 -15.257 0.237 -4.148 1.00 2.04 H new ATOM 0 HE22 GLN A 399 -15.049 1.008 -5.724 1.00 2.04 H new ATOM 604 N SER A 400 -10.525 -3.142 -2.669 1.00 0.42 N ATOM 605 CA SER A 400 -9.606 -4.248 -2.921 1.00 0.41 C ATOM 606 C SER A 400 -10.254 -5.277 -3.845 1.00 0.47 C ATOM 607 O SER A 400 -11.463 -5.506 -3.777 1.00 0.54 O ATOM 608 CB SER A 400 -9.192 -4.912 -1.608 1.00 0.47 C ATOM 609 OG SER A 400 -10.312 -5.456 -0.934 1.00 0.56 O ATOM 0 H SER A 400 -11.490 -3.330 -2.941 1.00 0.42 H new ATOM 0 HA SER A 400 -8.715 -3.849 -3.406 1.00 0.41 H new ATOM 0 HB2 SER A 400 -8.467 -5.701 -1.809 1.00 0.47 H new ATOM 0 HB3 SER A 400 -8.699 -4.181 -0.967 1.00 0.47 H new ATOM 0 HG SER A 400 -10.226 -5.293 0.028 1.00 0.56 H new ATOM 615 N ARG A 401 -9.452 -5.893 -4.711 1.00 0.51 N ATOM 616 CA ARG A 401 -9.967 -6.889 -5.645 1.00 0.60 C ATOM 617 C ARG A 401 -8.866 -7.835 -6.115 1.00 0.73 C ATOM 618 O ARG A 401 -7.769 -7.404 -6.472 1.00 0.86 O ATOM 619 CB ARG A 401 -10.597 -6.198 -6.857 1.00 0.65 C ATOM 620 CG ARG A 401 -9.600 -5.404 -7.684 1.00 0.72 C ATOM 621 CD ARG A 401 -10.270 -4.687 -8.844 1.00 0.91 C ATOM 622 NE ARG A 401 -9.313 -3.908 -9.627 1.00 1.02 N ATOM 623 CZ ARG A 401 -9.643 -3.181 -10.689 1.00 1.25 C ATOM 624 NH1 ARG A 401 -10.903 -3.130 -11.098 1.00 1.55 N ATOM 625 NH2 ARG A 401 -8.710 -2.501 -11.342 1.00 1.43 N ATOM 0 H ARG A 401 -8.449 -5.721 -4.785 1.00 0.51 H new ATOM 0 HA ARG A 401 -10.722 -7.475 -5.121 1.00 0.60 H new ATOM 0 HB2 ARG A 401 -11.067 -6.950 -7.491 1.00 0.65 H new ATOM 0 HB3 ARG A 401 -11.388 -5.530 -6.515 1.00 0.65 H new ATOM 0 HG2 ARG A 401 -9.099 -4.675 -7.047 1.00 0.72 H new ATOM 0 HG3 ARG A 401 -8.831 -6.074 -8.067 1.00 0.72 H new ATOM 0 HD2 ARG A 401 -10.758 -5.417 -9.489 1.00 0.91 H new ATOM 0 HD3 ARG A 401 -11.049 -4.027 -8.462 1.00 0.91 H new ATOM 0 HE ARG A 401 -8.334 -3.923 -9.341 1.00 1.02 H new ATOM 0 HH11 ARG A 401 -11.623 -3.650 -10.597 1.00 1.55 H new ATOM 0 HH12 ARG A 401 -11.152 -2.571 -11.914 1.00 1.55 H new ATOM 0 HH21 ARG A 401 -7.740 -2.536 -11.029 1.00 1.43 H new ATOM 0 HH22 ARG A 401 -8.963 -1.943 -12.157 1.00 1.43 H new ATOM 639 N THR A 402 -9.175 -9.127 -6.125 1.00 0.82 N ATOM 640 CA THR A 402 -8.226 -10.141 -6.566 1.00 0.99 C ATOM 641 C THR A 402 -8.285 -10.325 -8.077 1.00 1.16 C ATOM 642 O THR A 402 -8.180 -11.444 -8.575 1.00 1.79 O ATOM 643 CB THR A 402 -8.497 -11.499 -5.891 1.00 1.14 C ATOM 644 OG1 THR A 402 -9.896 -11.798 -5.931 1.00 1.38 O ATOM 645 CG2 THR A 402 -8.006 -11.503 -4.453 1.00 1.29 C ATOM 0 H THR A 402 -10.079 -9.497 -5.831 1.00 0.82 H new ATOM 0 HA THR A 402 -7.235 -9.790 -6.279 1.00 0.99 H new ATOM 0 HB THR A 402 -7.950 -12.265 -6.440 1.00 1.14 H new ATOM 0 HG1 THR A 402 -10.190 -11.863 -6.864 1.00 1.38 H new ATOM 0 HG21 THR A 402 -8.210 -12.474 -4.001 1.00 1.29 H new ATOM 0 HG22 THR A 402 -6.933 -11.313 -4.434 1.00 1.29 H new ATOM 0 HG23 THR A 402 -8.522 -10.725 -3.890 1.00 1.29 H new ATOM 653 N THR A 403 -8.454 -9.222 -8.805 1.00 1.43 N ATOM 654 CA THR A 403 -8.530 -9.270 -10.263 1.00 1.62 C ATOM 655 C THR A 403 -9.574 -10.302 -10.707 1.00 1.84 C ATOM 656 O THR A 403 -10.299 -10.851 -9.876 1.00 1.85 O ATOM 657 CB THR A 403 -7.157 -9.609 -10.879 1.00 1.77 C ATOM 658 OG1 THR A 403 -6.124 -8.931 -10.152 1.00 1.78 O ATOM 659 CG2 THR A 403 -7.087 -9.190 -12.341 1.00 1.95 C ATOM 0 H THR A 403 -8.541 -8.286 -8.409 1.00 1.43 H new ATOM 0 HA THR A 403 -8.830 -8.284 -10.618 1.00 1.62 H new ATOM 0 HB THR A 403 -7.019 -10.689 -10.819 1.00 1.77 H new ATOM 0 HG1 THR A 403 -5.321 -8.864 -10.710 1.00 1.78 H new ATOM 0 HG21 THR A 403 -6.107 -9.443 -12.745 1.00 1.95 H new ATOM 0 HG22 THR A 403 -7.859 -9.712 -12.907 1.00 1.95 H new ATOM 0 HG23 THR A 403 -7.245 -8.114 -12.419 1.00 1.95 H new ATOM 667 N GLU A 404 -9.659 -10.564 -12.009 1.00 2.08 N ATOM 668 CA GLU A 404 -10.624 -11.533 -12.524 1.00 2.34 C ATOM 669 C GLU A 404 -10.455 -12.882 -11.829 1.00 2.30 C ATOM 670 O GLU A 404 -11.425 -13.467 -11.347 1.00 2.37 O ATOM 671 CB GLU A 404 -10.471 -11.702 -14.039 1.00 2.72 C ATOM 672 CG GLU A 404 -10.807 -10.451 -14.838 1.00 2.91 C ATOM 673 CD GLU A 404 -9.819 -9.323 -14.610 1.00 3.42 C ATOM 674 OE1 GLU A 404 -8.625 -9.505 -14.929 1.00 3.79 O ATOM 675 OE2 GLU A 404 -10.240 -8.258 -14.113 1.00 3.87 O ATOM 0 H GLU A 404 -9.077 -10.124 -12.722 1.00 2.08 H new ATOM 0 HA GLU A 404 -11.624 -11.153 -12.316 1.00 2.34 H new ATOM 0 HB2 GLU A 404 -9.445 -11.997 -14.260 1.00 2.72 H new ATOM 0 HB3 GLU A 404 -11.115 -12.516 -14.370 1.00 2.72 H new ATOM 0 HG2 GLU A 404 -10.830 -10.699 -15.899 1.00 2.91 H new ATOM 0 HG3 GLU A 404 -11.807 -10.111 -14.569 1.00 2.91 H new ATOM 682 N ASN A 405 -9.215 -13.366 -11.773 1.00 2.26 N ATOM 683 CA ASN A 405 -8.921 -14.642 -11.126 1.00 2.30 C ATOM 684 C ASN A 405 -8.672 -14.446 -9.634 1.00 2.07 C ATOM 685 O ASN A 405 -7.703 -13.803 -9.241 1.00 2.40 O ATOM 686 CB ASN A 405 -7.696 -15.295 -11.771 1.00 2.43 C ATOM 687 CG ASN A 405 -7.320 -16.603 -11.106 1.00 2.67 C ATOM 688 OD1 ASN A 405 -8.115 -17.543 -11.063 1.00 3.16 O ATOM 689 ND2 ASN A 405 -6.102 -16.672 -10.582 1.00 2.73 N ATOM 0 H ASN A 405 -8.401 -12.895 -12.167 1.00 2.26 H new ATOM 0 HA ASN A 405 -9.785 -15.294 -11.255 1.00 2.30 H new ATOM 0 HB2 ASN A 405 -7.897 -15.473 -12.828 1.00 2.43 H new ATOM 0 HB3 ASN A 405 -6.851 -14.608 -11.718 1.00 2.43 H new ATOM 0 HD21 ASN A 405 -5.793 -17.528 -10.121 1.00 2.73 H new ATOM 0 HD22 ASN A 405 -5.476 -15.869 -10.640 1.00 2.73 H new ATOM 696 N ALA A 406 -9.546 -15.008 -8.808 1.00 1.82 N ATOM 697 CA ALA A 406 -9.409 -14.891 -7.359 1.00 1.67 C ATOM 698 C ALA A 406 -8.678 -16.094 -6.773 1.00 1.85 C ATOM 699 O ALA A 406 -9.160 -16.730 -5.834 1.00 2.18 O ATOM 700 CB ALA A 406 -10.772 -14.722 -6.710 1.00 1.72 C ATOM 0 H ALA A 406 -10.355 -15.548 -9.114 1.00 1.82 H new ATOM 0 HA ALA A 406 -8.811 -14.005 -7.148 1.00 1.67 H new ATOM 0 HB1 ALA A 406 -10.653 -14.636 -5.630 1.00 1.72 H new ATOM 0 HB2 ALA A 406 -11.249 -13.821 -7.095 1.00 1.72 H new ATOM 0 HB3 ALA A 406 -11.394 -15.588 -6.939 1.00 1.72 H new ATOM 706 N ALA A 407 -7.515 -16.404 -7.335 1.00 1.91 N ATOM 707 CA ALA A 407 -6.718 -17.534 -6.872 1.00 2.19 C ATOM 708 C ALA A 407 -5.304 -17.099 -6.508 1.00 2.37 C ATOM 709 O ALA A 407 -4.543 -17.858 -5.909 1.00 2.77 O ATOM 710 CB ALA A 407 -6.672 -18.613 -7.941 1.00 2.38 C ATOM 0 H ALA A 407 -7.103 -15.888 -8.112 1.00 1.91 H new ATOM 0 HA ALA A 407 -7.190 -17.936 -5.975 1.00 2.19 H new ATOM 0 HB1 ALA A 407 -6.074 -19.452 -7.585 1.00 2.38 H new ATOM 0 HB2 ALA A 407 -7.684 -18.954 -8.157 1.00 2.38 H new ATOM 0 HB3 ALA A 407 -6.224 -18.207 -8.848 1.00 2.38 H new ATOM 716 N ALA A 408 -4.961 -15.875 -6.883 1.00 2.15 N ATOM 717 CA ALA A 408 -3.638 -15.327 -6.609 1.00 2.35 C ATOM 718 C ALA A 408 -3.638 -13.802 -6.728 1.00 2.05 C ATOM 719 O ALA A 408 -3.175 -13.109 -5.821 1.00 1.99 O ATOM 720 CB ALA A 408 -2.608 -15.941 -7.550 1.00 2.76 C ATOM 0 H ALA A 408 -5.584 -15.239 -7.381 1.00 2.15 H new ATOM 0 HA ALA A 408 -3.369 -15.580 -5.584 1.00 2.35 H new ATOM 0 HB1 ALA A 408 -1.624 -15.523 -7.335 1.00 2.76 H new ATOM 0 HB2 ALA A 408 -2.583 -17.021 -7.407 1.00 2.76 H new ATOM 0 HB3 ALA A 408 -2.879 -15.718 -8.582 1.00 2.76 H new ATOM 726 N PRO A 409 -4.162 -13.250 -7.844 1.00 1.99 N ATOM 727 CA PRO A 409 -4.218 -11.800 -8.054 1.00 1.80 C ATOM 728 C PRO A 409 -4.819 -11.059 -6.867 1.00 1.41 C ATOM 729 O PRO A 409 -5.624 -11.615 -6.128 1.00 1.86 O ATOM 730 CB PRO A 409 -5.106 -11.654 -9.287 1.00 2.10 C ATOM 731 CG PRO A 409 -4.917 -12.924 -10.035 1.00 2.49 C ATOM 732 CD PRO A 409 -4.739 -13.987 -8.988 1.00 2.27 C ATOM 0 HA PRO A 409 -3.224 -11.369 -8.176 1.00 1.80 H new ATOM 0 HB2 PRO A 409 -6.150 -11.509 -9.009 1.00 2.10 H new ATOM 0 HB3 PRO A 409 -4.813 -10.793 -9.887 1.00 2.10 H new ATOM 0 HG2 PRO A 409 -5.778 -13.138 -10.668 1.00 2.49 H new ATOM 0 HG3 PRO A 409 -4.047 -12.868 -10.689 1.00 2.49 H new ATOM 0 HD2 PRO A 409 -5.688 -14.456 -8.726 1.00 2.27 H new ATOM 0 HD3 PRO A 409 -4.075 -14.781 -9.330 1.00 2.27 H new ATOM 740 N ASP A 410 -4.410 -9.804 -6.692 1.00 0.92 N ATOM 741 CA ASP A 410 -4.902 -8.980 -5.591 1.00 0.79 C ATOM 742 C ASP A 410 -4.356 -7.556 -5.682 1.00 0.68 C ATOM 743 O ASP A 410 -3.177 -7.347 -5.967 1.00 0.93 O ATOM 744 CB ASP A 410 -4.529 -9.600 -4.241 1.00 1.18 C ATOM 745 CG ASP A 410 -3.037 -9.844 -4.096 1.00 1.62 C ATOM 746 OD1 ASP A 410 -2.296 -9.565 -5.062 1.00 1.99 O ATOM 747 OD2 ASP A 410 -2.607 -10.308 -3.018 1.00 2.14 O ATOM 0 H ASP A 410 -3.738 -9.335 -7.300 1.00 0.92 H new ATOM 0 HA ASP A 410 -5.988 -8.937 -5.670 1.00 0.79 H new ATOM 0 HB2 ASP A 410 -4.864 -8.942 -3.439 1.00 1.18 H new ATOM 0 HB3 ASP A 410 -5.060 -10.544 -4.121 1.00 1.18 H new ATOM 752 N GLU A 411 -5.228 -6.582 -5.436 1.00 0.54 N ATOM 753 CA GLU A 411 -4.849 -5.172 -5.484 1.00 0.45 C ATOM 754 C GLU A 411 -5.699 -4.358 -4.517 1.00 0.40 C ATOM 755 O GLU A 411 -6.913 -4.544 -4.436 1.00 0.42 O ATOM 756 CB GLU A 411 -5.010 -4.617 -6.902 1.00 0.49 C ATOM 757 CG GLU A 411 -4.067 -5.238 -7.918 1.00 0.58 C ATOM 758 CD GLU A 411 -4.286 -4.700 -9.318 1.00 1.47 C ATOM 759 OE1 GLU A 411 -5.404 -4.867 -9.849 1.00 2.10 O ATOM 760 OE2 GLU A 411 -3.342 -4.109 -9.882 1.00 2.08 O ATOM 0 H GLU A 411 -6.207 -6.744 -5.200 1.00 0.54 H new ATOM 0 HA GLU A 411 -3.802 -5.094 -5.191 1.00 0.45 H new ATOM 0 HB2 GLU A 411 -6.037 -4.777 -7.229 1.00 0.49 H new ATOM 0 HB3 GLU A 411 -4.846 -3.540 -6.880 1.00 0.49 H new ATOM 0 HG2 GLU A 411 -3.037 -5.048 -7.616 1.00 0.58 H new ATOM 0 HG3 GLU A 411 -4.204 -6.319 -7.922 1.00 0.58 H new ATOM 767 N TYR A 412 -5.057 -3.461 -3.775 1.00 0.38 N ATOM 768 CA TYR A 412 -5.763 -2.630 -2.806 1.00 0.35 C ATOM 769 C TYR A 412 -5.697 -1.151 -3.188 1.00 0.33 C ATOM 770 O TYR A 412 -4.617 -0.602 -3.390 1.00 0.34 O ATOM 771 CB TYR A 412 -5.167 -2.827 -1.408 1.00 0.39 C ATOM 772 CG TYR A 412 -5.221 -4.255 -0.905 1.00 0.45 C ATOM 773 CD1 TYR A 412 -4.554 -5.279 -1.570 1.00 0.50 C ATOM 774 CD2 TYR A 412 -5.946 -4.582 0.235 1.00 0.53 C ATOM 775 CE1 TYR A 412 -4.609 -6.581 -1.115 1.00 0.58 C ATOM 776 CE2 TYR A 412 -6.004 -5.883 0.697 1.00 0.61 C ATOM 777 CZ TYR A 412 -5.333 -6.879 0.017 1.00 0.62 C ATOM 778 OH TYR A 412 -5.388 -8.175 0.471 1.00 0.72 O ATOM 0 H TYR A 412 -4.053 -3.291 -3.826 1.00 0.38 H new ATOM 0 HA TYR A 412 -6.809 -2.937 -2.804 1.00 0.35 H new ATOM 0 HB2 TYR A 412 -4.128 -2.496 -1.418 1.00 0.39 H new ATOM 0 HB3 TYR A 412 -5.699 -2.186 -0.705 1.00 0.39 H new ATOM 0 HD1 TYR A 412 -3.983 -5.051 -2.458 1.00 0.50 H new ATOM 0 HD2 TYR A 412 -6.473 -3.805 0.769 1.00 0.53 H new ATOM 0 HE1 TYR A 412 -4.086 -7.363 -1.645 1.00 0.58 H new ATOM 0 HE2 TYR A 412 -6.571 -6.119 1.585 1.00 0.61 H new ATOM 0 HH TYR A 412 -5.021 -8.220 1.378 1.00 0.72 H new ATOM 788 N TYR A 413 -6.862 -0.512 -3.267 1.00 0.33 N ATOM 789 CA TYR A 413 -6.942 0.906 -3.607 1.00 0.32 C ATOM 790 C TYR A 413 -6.303 1.751 -2.509 1.00 0.32 C ATOM 791 O TYR A 413 -6.413 1.424 -1.328 1.00 0.40 O ATOM 792 CB TYR A 413 -8.403 1.317 -3.812 1.00 0.36 C ATOM 793 CG TYR A 413 -8.596 2.769 -4.197 1.00 0.38 C ATOM 794 CD1 TYR A 413 -7.737 3.397 -5.092 1.00 0.40 C ATOM 795 CD2 TYR A 413 -9.642 3.512 -3.664 1.00 0.44 C ATOM 796 CE1 TYR A 413 -7.916 4.722 -5.445 1.00 0.44 C ATOM 797 CE2 TYR A 413 -9.828 4.835 -4.012 1.00 0.48 C ATOM 798 CZ TYR A 413 -8.963 5.436 -4.902 1.00 0.46 C ATOM 799 OH TYR A 413 -9.145 6.755 -5.250 1.00 0.51 O ATOM 0 H TYR A 413 -7.765 -0.955 -3.100 1.00 0.33 H new ATOM 0 HA TYR A 413 -6.397 1.075 -4.536 1.00 0.32 H new ATOM 0 HB2 TYR A 413 -8.840 0.687 -4.587 1.00 0.36 H new ATOM 0 HB3 TYR A 413 -8.955 1.121 -2.893 1.00 0.36 H new ATOM 0 HD1 TYR A 413 -6.916 2.840 -5.519 1.00 0.40 H new ATOM 0 HD2 TYR A 413 -10.321 3.047 -2.965 1.00 0.44 H new ATOM 0 HE1 TYR A 413 -7.240 5.195 -6.142 1.00 0.44 H new ATOM 0 HE2 TYR A 413 -10.648 5.397 -3.589 1.00 0.48 H new ATOM 0 HH TYR A 413 -9.927 7.112 -4.780 1.00 0.51 H new ATOM 809 N VAL A 414 -5.618 2.826 -2.896 1.00 0.33 N ATOM 810 CA VAL A 414 -4.953 3.684 -1.921 1.00 0.33 C ATOM 811 C VAL A 414 -5.316 5.152 -2.092 1.00 0.29 C ATOM 812 O VAL A 414 -5.337 5.674 -3.207 1.00 0.38 O ATOM 813 CB VAL A 414 -3.425 3.563 -2.025 1.00 0.39 C ATOM 814 CG1 VAL A 414 -2.749 4.287 -0.873 1.00 1.09 C ATOM 815 CG2 VAL A 414 -3.008 2.108 -2.071 1.00 1.15 C ATOM 0 H VAL A 414 -5.510 3.120 -3.867 1.00 0.33 H new ATOM 0 HA VAL A 414 -5.298 3.342 -0.946 1.00 0.33 H new ATOM 0 HB VAL A 414 -3.105 4.036 -2.953 1.00 0.39 H new ATOM 0 HG11 VAL A 414 -1.667 4.189 -0.966 1.00 1.09 H new ATOM 0 HG12 VAL A 414 -3.021 5.342 -0.897 1.00 1.09 H new ATOM 0 HG13 VAL A 414 -3.073 3.850 0.072 1.00 1.09 H new ATOM 0 HG21 VAL A 414 -1.922 2.043 -2.145 1.00 1.15 H new ATOM 0 HG22 VAL A 414 -3.341 1.605 -1.163 1.00 1.15 H new ATOM 0 HG23 VAL A 414 -3.460 1.627 -2.939 1.00 1.15 H new ATOM 825 N HIS A 415 -5.566 5.820 -0.970 1.00 0.33 N ATOM 826 CA HIS A 415 -5.886 7.239 -0.981 1.00 0.32 C ATOM 827 C HIS A 415 -4.868 8.008 -0.147 1.00 0.32 C ATOM 828 O HIS A 415 -5.048 8.189 1.058 1.00 0.34 O ATOM 829 CB HIS A 415 -7.295 7.495 -0.450 1.00 0.37 C ATOM 830 CG HIS A 415 -7.736 8.908 -0.658 1.00 0.44 C ATOM 831 ND1 HIS A 415 -7.670 9.533 -1.884 1.00 0.50 N ATOM 832 CD2 HIS A 415 -8.235 9.824 0.204 1.00 0.54 C ATOM 833 CE1 HIS A 415 -8.105 10.772 -1.769 1.00 0.60 C ATOM 834 NE2 HIS A 415 -8.456 10.976 -0.512 1.00 0.62 N ATOM 0 H HIS A 415 -5.552 5.398 -0.041 1.00 0.33 H new ATOM 0 HA HIS A 415 -5.846 7.586 -2.014 1.00 0.32 H new ATOM 0 HB2 HIS A 415 -7.995 6.822 -0.946 1.00 0.37 H new ATOM 0 HB3 HIS A 415 -7.327 7.260 0.614 1.00 0.37 H new ATOM 0 HD1 HIS A 415 -7.336 9.104 -2.747 1.00 0.50 H new ATOM 0 HD2 HIS A 415 -8.424 9.677 1.257 1.00 0.54 H new ATOM 0 HE1 HIS A 415 -8.164 11.497 -2.567 1.00 0.60 H new ATOM 843 N TYR A 416 -3.794 8.447 -0.794 1.00 0.37 N ATOM 844 CA TYR A 416 -2.735 9.184 -0.111 1.00 0.40 C ATOM 845 C TYR A 416 -3.288 10.423 0.589 1.00 0.45 C ATOM 846 O TYR A 416 -4.008 11.222 -0.011 1.00 0.57 O ATOM 847 CB TYR A 416 -1.642 9.583 -1.103 1.00 0.46 C ATOM 848 CG TYR A 416 -0.995 8.409 -1.806 1.00 0.47 C ATOM 849 CD1 TYR A 416 -1.639 7.763 -2.854 1.00 0.53 C ATOM 850 CD2 TYR A 416 0.260 7.949 -1.425 1.00 0.51 C ATOM 851 CE1 TYR A 416 -1.053 6.691 -3.500 1.00 0.59 C ATOM 852 CE2 TYR A 416 0.852 6.879 -2.066 1.00 0.54 C ATOM 853 CZ TYR A 416 0.194 6.249 -3.094 1.00 0.57 C ATOM 854 OH TYR A 416 0.780 5.186 -3.743 1.00 0.65 O ATOM 0 H TYR A 416 -3.633 8.306 -1.791 1.00 0.37 H new ATOM 0 HA TYR A 416 -2.305 8.530 0.648 1.00 0.40 H new ATOM 0 HB2 TYR A 416 -2.070 10.251 -1.851 1.00 0.46 H new ATOM 0 HB3 TYR A 416 -0.873 10.146 -0.574 1.00 0.46 H new ATOM 0 HD1 TYR A 416 -2.614 8.104 -3.169 1.00 0.53 H new ATOM 0 HD2 TYR A 416 0.781 8.437 -0.614 1.00 0.51 H new ATOM 0 HE1 TYR A 416 -1.564 6.202 -4.316 1.00 0.59 H new ATOM 0 HE2 TYR A 416 1.830 6.538 -1.760 1.00 0.54 H new ATOM 0 HH TYR A 416 1.654 4.998 -3.341 1.00 0.65 H new ATOM 864 N VAL A 417 -2.949 10.565 1.867 1.00 0.45 N ATOM 865 CA VAL A 417 -3.409 11.696 2.671 1.00 0.55 C ATOM 866 C VAL A 417 -2.531 12.921 2.454 1.00 0.66 C ATOM 867 O VAL A 417 -2.302 13.710 3.370 1.00 1.34 O ATOM 868 CB VAL A 417 -3.407 11.336 4.165 1.00 0.68 C ATOM 869 CG1 VAL A 417 -4.299 12.282 4.956 1.00 1.10 C ATOM 870 CG2 VAL A 417 -3.833 9.893 4.341 1.00 1.01 C ATOM 0 H VAL A 417 -2.354 9.908 2.372 1.00 0.45 H new ATOM 0 HA VAL A 417 -4.425 11.928 2.353 1.00 0.55 H new ATOM 0 HB VAL A 417 -2.396 11.449 4.556 1.00 0.68 H new ATOM 0 HG11 VAL A 417 -4.279 12.005 6.010 1.00 1.10 H new ATOM 0 HG12 VAL A 417 -3.937 13.304 4.843 1.00 1.10 H new ATOM 0 HG13 VAL A 417 -5.321 12.216 4.583 1.00 1.10 H new ATOM 0 HG21 VAL A 417 -3.831 9.640 5.401 1.00 1.01 H new ATOM 0 HG22 VAL A 417 -4.837 9.758 3.938 1.00 1.01 H new ATOM 0 HG23 VAL A 417 -3.138 9.241 3.811 1.00 1.01 H new ATOM 880 N GLY A 418 -2.043 13.073 1.233 1.00 0.71 N ATOM 881 CA GLY A 418 -1.192 14.207 0.916 1.00 0.82 C ATOM 882 C GLY A 418 -0.759 14.238 -0.536 1.00 0.72 C ATOM 883 O GLY A 418 -0.732 15.301 -1.158 1.00 0.76 O ATOM 0 H GLY A 418 -2.218 12.436 0.456 1.00 0.71 H new ATOM 0 HA2 GLY A 418 -1.724 15.129 1.150 1.00 0.82 H new ATOM 0 HA3 GLY A 418 -0.307 14.179 1.552 1.00 0.82 H new ATOM 887 N LEU A 419 -0.413 13.076 -1.076 1.00 0.66 N ATOM 888 CA LEU A 419 0.028 12.972 -2.458 1.00 0.60 C ATOM 889 C LEU A 419 -1.052 13.459 -3.416 1.00 0.59 C ATOM 890 O LEU A 419 -2.236 13.478 -3.076 1.00 0.76 O ATOM 891 CB LEU A 419 0.408 11.527 -2.777 1.00 0.58 C ATOM 892 CG LEU A 419 1.694 11.010 -2.116 1.00 0.78 C ATOM 893 CD1 LEU A 419 2.909 11.681 -2.725 1.00 1.60 C ATOM 894 CD2 LEU A 419 1.685 11.225 -0.607 1.00 1.40 C ATOM 0 H LEU A 419 -0.430 12.189 -0.573 1.00 0.66 H new ATOM 0 HA LEU A 419 0.904 13.608 -2.587 1.00 0.60 H new ATOM 0 HB2 LEU A 419 -0.417 10.880 -2.478 1.00 0.58 H new ATOM 0 HB3 LEU A 419 0.513 11.429 -3.858 1.00 0.58 H new ATOM 0 HG LEU A 419 1.743 9.937 -2.300 1.00 0.78 H new ATOM 0 HD11 LEU A 419 3.812 11.303 -2.245 1.00 1.60 H new ATOM 0 HD12 LEU A 419 2.947 11.464 -3.793 1.00 1.60 H new ATOM 0 HD13 LEU A 419 2.843 12.759 -2.576 1.00 1.60 H new ATOM 0 HD21 LEU A 419 2.613 10.845 -0.180 1.00 1.40 H new ATOM 0 HD22 LEU A 419 1.596 12.290 -0.392 1.00 1.40 H new ATOM 0 HD23 LEU A 419 0.840 10.694 -0.169 1.00 1.40 H new ATOM 906 N ASN A 420 -0.632 13.863 -4.613 1.00 0.61 N ATOM 907 CA ASN A 420 -1.527 14.359 -5.627 1.00 0.63 C ATOM 908 C ASN A 420 -2.713 13.422 -5.843 1.00 0.56 C ATOM 909 O ASN A 420 -2.579 12.203 -5.754 1.00 0.56 O ATOM 910 CB ASN A 420 -0.743 14.518 -6.921 1.00 0.75 C ATOM 911 CG ASN A 420 0.511 15.354 -6.745 1.00 1.57 C ATOM 912 OD1 ASN A 420 0.446 16.522 -6.362 1.00 2.53 O ATOM 913 ND2 ASN A 420 1.663 14.755 -7.024 1.00 1.98 N ATOM 0 H ASN A 420 0.348 13.851 -4.897 1.00 0.61 H new ATOM 0 HA ASN A 420 -1.931 15.318 -5.303 1.00 0.63 H new ATOM 0 HB2 ASN A 420 -0.468 13.533 -7.298 1.00 0.75 H new ATOM 0 HB3 ASN A 420 -1.381 14.981 -7.674 1.00 0.75 H new ATOM 0 HD21 ASN A 420 2.541 15.265 -6.924 1.00 1.98 H new ATOM 0 HD22 ASN A 420 1.670 13.785 -7.339 1.00 1.98 H new ATOM 920 N ARG A 421 -3.873 14.009 -6.124 1.00 0.62 N ATOM 921 CA ARG A 421 -5.091 13.238 -6.352 1.00 0.67 C ATOM 922 C ARG A 421 -4.900 12.231 -7.483 1.00 0.66 C ATOM 923 O ARG A 421 -5.381 11.101 -7.404 1.00 0.69 O ATOM 924 CB ARG A 421 -6.259 14.175 -6.670 1.00 0.87 C ATOM 925 CG ARG A 421 -6.605 15.116 -5.528 1.00 1.09 C ATOM 926 CD ARG A 421 -7.765 16.031 -5.885 1.00 1.51 C ATOM 927 NE ARG A 421 -7.457 16.893 -7.023 1.00 2.25 N ATOM 928 CZ ARG A 421 -8.301 17.795 -7.516 1.00 3.00 C ATOM 929 NH1 ARG A 421 -9.502 17.949 -6.974 1.00 3.28 N ATOM 930 NH2 ARG A 421 -7.946 18.543 -8.552 1.00 3.98 N ATOM 0 H ARG A 421 -3.995 15.019 -6.199 1.00 0.62 H new ATOM 0 HA ARG A 421 -5.317 12.685 -5.440 1.00 0.67 H new ATOM 0 HB2 ARG A 421 -6.013 14.763 -7.554 1.00 0.87 H new ATOM 0 HB3 ARG A 421 -7.137 13.578 -6.918 1.00 0.87 H new ATOM 0 HG2 ARG A 421 -6.860 14.535 -4.642 1.00 1.09 H new ATOM 0 HG3 ARG A 421 -5.732 15.717 -5.275 1.00 1.09 H new ATOM 0 HD2 ARG A 421 -8.644 15.428 -6.115 1.00 1.51 H new ATOM 0 HD3 ARG A 421 -8.018 16.647 -5.022 1.00 1.51 H new ATOM 0 HE ARG A 421 -6.543 16.798 -7.465 1.00 2.25 H new ATOM 0 HH11 ARG A 421 -9.780 17.375 -6.178 1.00 3.28 H new ATOM 0 HH12 ARG A 421 -10.148 18.641 -7.354 1.00 3.28 H new ATOM 0 HH21 ARG A 421 -7.024 18.427 -8.973 1.00 3.98 H new ATOM 0 HH22 ARG A 421 -8.595 19.234 -8.928 1.00 3.98 H new ATOM 944 N ARG A 422 -4.192 12.643 -8.531 1.00 0.71 N ATOM 945 CA ARG A 422 -3.938 11.768 -9.671 1.00 0.83 C ATOM 946 C ARG A 422 -3.130 10.547 -9.244 1.00 0.72 C ATOM 947 O ARG A 422 -3.285 9.460 -9.801 1.00 0.77 O ATOM 948 CB ARG A 422 -3.203 12.528 -10.779 1.00 1.01 C ATOM 949 CG ARG A 422 -1.866 13.104 -10.345 1.00 1.19 C ATOM 950 CD ARG A 422 -1.213 13.893 -11.471 1.00 1.49 C ATOM 951 NE ARG A 422 0.081 14.446 -11.081 1.00 2.09 N ATOM 952 CZ ARG A 422 1.165 13.710 -10.854 1.00 2.79 C ATOM 953 NH1 ARG A 422 1.132 12.396 -11.036 1.00 3.07 N ATOM 954 NH2 ARG A 422 2.292 14.290 -10.463 1.00 3.71 N ATOM 0 H ARG A 422 -3.785 13.575 -8.614 1.00 0.71 H new ATOM 0 HA ARG A 422 -4.898 11.429 -10.059 1.00 0.83 H new ATOM 0 HB2 ARG A 422 -3.042 11.856 -11.622 1.00 1.01 H new ATOM 0 HB3 ARG A 422 -3.839 13.339 -11.134 1.00 1.01 H new ATOM 0 HG2 ARG A 422 -2.010 13.752 -9.480 1.00 1.19 H new ATOM 0 HG3 ARG A 422 -1.204 12.297 -10.032 1.00 1.19 H new ATOM 0 HD2 ARG A 422 -1.083 13.245 -12.338 1.00 1.49 H new ATOM 0 HD3 ARG A 422 -1.875 14.703 -11.776 1.00 1.49 H new ATOM 0 HE ARG A 422 0.158 15.458 -10.976 1.00 2.09 H new ATOM 0 HH11 ARG A 422 0.273 11.946 -11.351 1.00 3.07 H new ATOM 0 HH12 ARG A 422 1.966 11.836 -10.861 1.00 3.07 H new ATOM 0 HH21 ARG A 422 2.328 15.301 -10.336 1.00 3.71 H new ATOM 0 HH22 ARG A 422 3.123 13.725 -10.289 1.00 3.71 H new ATOM 968 N LEU A 423 -2.267 10.738 -8.249 1.00 0.65 N ATOM 969 CA LEU A 423 -1.433 9.663 -7.738 1.00 0.62 C ATOM 970 C LEU A 423 -2.285 8.534 -7.162 1.00 0.52 C ATOM 971 O LEU A 423 -1.903 7.365 -7.230 1.00 0.53 O ATOM 972 CB LEU A 423 -0.484 10.208 -6.673 1.00 0.69 C ATOM 973 CG LEU A 423 1.005 10.030 -6.977 1.00 0.89 C ATOM 974 CD1 LEU A 423 1.381 10.762 -8.258 1.00 1.31 C ATOM 975 CD2 LEU A 423 1.847 10.526 -5.813 1.00 1.49 C ATOM 0 H LEU A 423 -2.130 11.634 -7.781 1.00 0.65 H new ATOM 0 HA LEU A 423 -0.850 9.255 -8.564 1.00 0.62 H new ATOM 0 HB2 LEU A 423 -0.687 11.270 -6.538 1.00 0.69 H new ATOM 0 HB3 LEU A 423 -0.706 9.718 -5.725 1.00 0.69 H new ATOM 0 HG LEU A 423 1.203 8.968 -7.119 1.00 0.89 H new ATOM 0 HD11 LEU A 423 2.444 10.624 -8.458 1.00 1.31 H new ATOM 0 HD12 LEU A 423 0.801 10.362 -9.089 1.00 1.31 H new ATOM 0 HD13 LEU A 423 1.168 11.825 -8.145 1.00 1.31 H new ATOM 0 HD21 LEU A 423 2.904 10.392 -6.045 1.00 1.49 H new ATOM 0 HD22 LEU A 423 1.644 11.583 -5.642 1.00 1.49 H new ATOM 0 HD23 LEU A 423 1.598 9.959 -4.916 1.00 1.49 H new ATOM 987 N ASP A 424 -3.439 8.893 -6.599 1.00 0.49 N ATOM 988 CA ASP A 424 -4.350 7.908 -6.015 1.00 0.50 C ATOM 989 C ASP A 424 -4.569 6.748 -6.979 1.00 0.45 C ATOM 990 O ASP A 424 -4.883 6.954 -8.152 1.00 0.49 O ATOM 991 CB ASP A 424 -5.692 8.563 -5.679 1.00 0.66 C ATOM 992 CG ASP A 424 -5.551 9.703 -4.689 1.00 0.81 C ATOM 993 OD1 ASP A 424 -4.414 9.959 -4.238 1.00 0.97 O ATOM 994 OD2 ASP A 424 -6.574 10.343 -4.366 1.00 1.20 O ATOM 0 H ASP A 424 -3.765 9.857 -6.535 1.00 0.49 H new ATOM 0 HA ASP A 424 -3.901 7.524 -5.099 1.00 0.50 H new ATOM 0 HB2 ASP A 424 -6.150 8.936 -6.595 1.00 0.66 H new ATOM 0 HB3 ASP A 424 -6.367 7.812 -5.269 1.00 0.66 H new ATOM 999 N GLY A 425 -4.393 5.529 -6.483 1.00 0.44 N ATOM 1000 CA GLY A 425 -4.566 4.360 -7.323 1.00 0.50 C ATOM 1001 C GLY A 425 -4.370 3.066 -6.562 1.00 0.45 C ATOM 1002 O GLY A 425 -3.847 3.065 -5.447 1.00 0.70 O ATOM 0 H GLY A 425 -4.134 5.330 -5.517 1.00 0.44 H new ATOM 0 HA2 GLY A 425 -5.565 4.374 -7.758 1.00 0.50 H new ATOM 0 HA3 GLY A 425 -3.857 4.403 -8.150 1.00 0.50 H new ATOM 1006 N TRP A 426 -4.794 1.962 -7.165 1.00 0.50 N ATOM 1007 CA TRP A 426 -4.662 0.654 -6.538 1.00 0.44 C ATOM 1008 C TRP A 426 -3.212 0.182 -6.587 1.00 0.45 C ATOM 1009 O TRP A 426 -2.587 0.179 -7.647 1.00 0.57 O ATOM 1010 CB TRP A 426 -5.568 -0.369 -7.233 1.00 0.47 C ATOM 1011 CG TRP A 426 -7.016 0.017 -7.267 1.00 0.49 C ATOM 1012 CD1 TRP A 426 -7.549 1.190 -7.716 1.00 0.57 C ATOM 1013 CD2 TRP A 426 -8.117 -0.781 -6.834 1.00 0.48 C ATOM 1014 NE1 TRP A 426 -8.916 1.169 -7.585 1.00 0.61 N ATOM 1015 CE2 TRP A 426 -9.289 -0.033 -7.045 1.00 0.55 C ATOM 1016 CE3 TRP A 426 -8.220 -2.059 -6.289 1.00 0.50 C ATOM 1017 CZ2 TRP A 426 -10.552 -0.524 -6.729 1.00 0.59 C ATOM 1018 CZ3 TRP A 426 -9.474 -2.547 -5.972 1.00 0.56 C ATOM 1019 CH2 TRP A 426 -10.625 -1.781 -6.193 1.00 0.59 C ATOM 0 H TRP A 426 -5.232 1.947 -8.086 1.00 0.50 H new ATOM 0 HA TRP A 426 -4.968 0.743 -5.496 1.00 0.44 H new ATOM 0 HB2 TRP A 426 -5.218 -0.513 -8.255 1.00 0.47 H new ATOM 0 HB3 TRP A 426 -5.471 -1.328 -6.725 1.00 0.47 H new ATOM 0 HD1 TRP A 426 -6.979 2.015 -8.116 1.00 0.57 H new ATOM 0 HE1 TRP A 426 -9.549 1.924 -7.847 1.00 0.61 H new ATOM 0 HE3 TRP A 426 -7.337 -2.657 -6.117 1.00 0.50 H new ATOM 0 HZ2 TRP A 426 -11.441 0.065 -6.900 1.00 0.59 H new ATOM 0 HZ3 TRP A 426 -9.567 -3.535 -5.547 1.00 0.56 H new ATOM 0 HH2 TRP A 426 -11.590 -2.191 -5.935 1.00 0.59 H new ATOM 1030 N VAL A 427 -2.680 -0.216 -5.435 1.00 0.39 N ATOM 1031 CA VAL A 427 -1.304 -0.692 -5.353 1.00 0.46 C ATOM 1032 C VAL A 427 -1.257 -2.129 -4.845 1.00 0.51 C ATOM 1033 O VAL A 427 -2.147 -2.568 -4.115 1.00 0.70 O ATOM 1034 CB VAL A 427 -0.442 0.193 -4.429 1.00 0.64 C ATOM 1035 CG1 VAL A 427 -0.629 1.664 -4.759 1.00 0.89 C ATOM 1036 CG2 VAL A 427 -0.756 -0.080 -2.967 1.00 0.85 C ATOM 0 H VAL A 427 -3.181 -0.218 -4.546 1.00 0.39 H new ATOM 0 HA VAL A 427 -0.896 -0.643 -6.363 1.00 0.46 H new ATOM 0 HB VAL A 427 0.604 -0.060 -4.601 1.00 0.64 H new ATOM 0 HG11 VAL A 427 -0.011 2.267 -4.094 1.00 0.89 H new ATOM 0 HG12 VAL A 427 -0.334 1.845 -5.793 1.00 0.89 H new ATOM 0 HG13 VAL A 427 -1.676 1.936 -4.627 1.00 0.89 H new ATOM 0 HG21 VAL A 427 -0.135 0.556 -2.337 1.00 0.85 H new ATOM 0 HG22 VAL A 427 -1.807 0.134 -2.775 1.00 0.85 H new ATOM 0 HG23 VAL A 427 -0.551 -1.126 -2.740 1.00 0.85 H new ATOM 1046 N GLY A 428 -0.216 -2.855 -5.234 1.00 0.52 N ATOM 1047 CA GLY A 428 -0.068 -4.233 -4.810 1.00 0.65 C ATOM 1048 C GLY A 428 -0.061 -4.387 -3.299 1.00 0.79 C ATOM 1049 O GLY A 428 0.388 -3.496 -2.578 1.00 1.72 O ATOM 0 H GLY A 428 0.531 -2.512 -5.838 1.00 0.52 H new ATOM 0 HA2 GLY A 428 -0.882 -4.826 -5.227 1.00 0.65 H new ATOM 0 HA3 GLY A 428 0.860 -4.635 -5.216 1.00 0.65 H new ATOM 1053 N ARG A 429 -0.567 -5.523 -2.831 1.00 0.54 N ATOM 1054 CA ARG A 429 -0.634 -5.825 -1.402 1.00 0.54 C ATOM 1055 C ARG A 429 0.714 -5.601 -0.708 1.00 0.49 C ATOM 1056 O ARG A 429 0.766 -5.065 0.400 1.00 0.53 O ATOM 1057 CB ARG A 429 -1.102 -7.277 -1.216 1.00 0.68 C ATOM 1058 CG ARG A 429 -0.519 -7.983 0.000 1.00 0.83 C ATOM 1059 CD ARG A 429 -1.017 -7.390 1.306 1.00 0.85 C ATOM 1060 NE ARG A 429 -0.353 -8.003 2.455 1.00 1.20 N ATOM 1061 CZ ARG A 429 -0.554 -7.633 3.714 1.00 1.26 C ATOM 1062 NH1 ARG A 429 -1.388 -6.644 3.993 1.00 1.73 N ATOM 1063 NH2 ARG A 429 0.084 -8.252 4.699 1.00 1.65 N ATOM 0 H ARG A 429 -0.942 -6.260 -3.428 1.00 0.54 H new ATOM 0 HA ARG A 429 -1.348 -5.144 -0.938 1.00 0.54 H new ATOM 0 HB2 ARG A 429 -2.189 -7.287 -1.138 1.00 0.68 H new ATOM 0 HB3 ARG A 429 -0.841 -7.845 -2.109 1.00 0.68 H new ATOM 0 HG2 ARG A 429 -0.779 -9.041 -0.038 1.00 0.83 H new ATOM 0 HG3 ARG A 429 0.569 -7.920 -0.033 1.00 0.83 H new ATOM 0 HD2 ARG A 429 -0.838 -6.315 1.311 1.00 0.85 H new ATOM 0 HD3 ARG A 429 -2.094 -7.535 1.386 1.00 0.85 H new ATOM 0 HE ARG A 429 0.305 -8.762 2.279 1.00 1.20 H new ATOM 0 HH11 ARG A 429 -1.879 -6.163 3.239 1.00 1.73 H new ATOM 0 HH12 ARG A 429 -1.540 -6.363 4.962 1.00 1.73 H new ATOM 0 HH21 ARG A 429 0.730 -9.013 4.489 1.00 1.65 H new ATOM 0 HH22 ARG A 429 -0.071 -7.967 5.666 1.00 1.65 H new ATOM 1077 N HIS A 430 1.792 -6.023 -1.357 1.00 0.49 N ATOM 1078 CA HIS A 430 3.134 -5.882 -0.795 1.00 0.53 C ATOM 1079 C HIS A 430 3.453 -4.439 -0.413 1.00 0.47 C ATOM 1080 O HIS A 430 4.265 -4.192 0.479 1.00 0.49 O ATOM 1081 CB HIS A 430 4.185 -6.385 -1.783 1.00 0.65 C ATOM 1082 CG HIS A 430 4.104 -5.754 -3.139 1.00 0.77 C ATOM 1083 ND1 HIS A 430 3.027 -5.915 -3.986 1.00 1.20 N ATOM 1084 CD2 HIS A 430 4.984 -4.963 -3.800 1.00 1.47 C ATOM 1085 CE1 HIS A 430 3.250 -5.253 -5.108 1.00 1.31 C ATOM 1086 NE2 HIS A 430 4.429 -4.667 -5.019 1.00 1.46 N ATOM 0 H HIS A 430 1.765 -6.467 -2.275 1.00 0.49 H new ATOM 0 HA HIS A 430 3.159 -6.486 0.112 1.00 0.53 H new ATOM 0 HB2 HIS A 430 5.176 -6.201 -1.367 1.00 0.65 H new ATOM 0 HB3 HIS A 430 4.080 -7.465 -1.890 1.00 0.65 H new ATOM 0 HD2 HIS A 430 5.944 -4.628 -3.435 1.00 1.47 H new ATOM 0 HE1 HIS A 430 2.581 -5.201 -5.954 1.00 1.31 H new ATOM 0 HE2 HIS A 430 4.858 -4.087 -5.740 1.00 1.46 H new ATOM 1095 N ARG A 431 2.841 -3.492 -1.109 1.00 0.43 N ATOM 1096 CA ARG A 431 3.094 -2.080 -0.858 1.00 0.41 C ATOM 1097 C ARG A 431 2.350 -1.559 0.374 1.00 0.37 C ATOM 1098 O ARG A 431 2.894 -0.753 1.127 1.00 0.57 O ATOM 1099 CB ARG A 431 2.731 -1.260 -2.098 1.00 0.44 C ATOM 1100 CG ARG A 431 3.562 -1.620 -3.320 1.00 0.53 C ATOM 1101 CD ARG A 431 3.169 -0.789 -4.532 1.00 0.64 C ATOM 1102 NE ARG A 431 4.078 -0.989 -5.657 1.00 1.39 N ATOM 1103 CZ ARG A 431 3.962 -0.356 -6.821 1.00 2.05 C ATOM 1104 NH1 ARG A 431 2.976 0.511 -7.016 1.00 2.55 N ATOM 1105 NH2 ARG A 431 4.833 -0.588 -7.794 1.00 2.84 N ATOM 0 H ARG A 431 2.166 -3.675 -1.852 1.00 0.43 H new ATOM 0 HA ARG A 431 4.158 -1.969 -0.647 1.00 0.41 H new ATOM 0 HB2 ARG A 431 1.676 -1.409 -2.328 1.00 0.44 H new ATOM 0 HB3 ARG A 431 2.863 -0.201 -1.876 1.00 0.44 H new ATOM 0 HG2 ARG A 431 4.618 -1.466 -3.100 1.00 0.53 H new ATOM 0 HG3 ARG A 431 3.435 -2.678 -3.548 1.00 0.53 H new ATOM 0 HD2 ARG A 431 2.155 -1.050 -4.836 1.00 0.64 H new ATOM 0 HD3 ARG A 431 3.159 0.266 -4.259 1.00 0.64 H new ATOM 0 HE ARG A 431 4.845 -1.652 -5.544 1.00 1.39 H new ATOM 0 HH11 ARG A 431 2.303 0.694 -6.271 1.00 2.55 H new ATOM 0 HH12 ARG A 431 2.891 0.994 -7.910 1.00 2.55 H new ATOM 0 HH21 ARG A 431 5.593 -1.253 -7.650 1.00 2.84 H new ATOM 0 HH22 ARG A 431 4.743 -0.102 -8.686 1.00 2.84 H new ATOM 1119 N ILE A 432 1.116 -2.012 0.590 1.00 0.39 N ATOM 1120 CA ILE A 432 0.349 -1.559 1.750 1.00 0.36 C ATOM 1121 C ILE A 432 0.618 -2.444 2.963 1.00 0.38 C ATOM 1122 O ILE A 432 0.557 -3.670 2.877 1.00 0.44 O ATOM 1123 CB ILE A 432 -1.168 -1.529 1.468 1.00 0.38 C ATOM 1124 CG1 ILE A 432 -1.458 -0.655 0.250 1.00 0.40 C ATOM 1125 CG2 ILE A 432 -1.917 -1.012 2.688 1.00 0.42 C ATOM 1126 CD1 ILE A 432 -2.905 -0.690 -0.189 1.00 0.46 C ATOM 0 H ILE A 432 0.633 -2.680 -0.010 1.00 0.39 H new ATOM 0 HA ILE A 432 0.679 -0.542 1.961 1.00 0.36 H new ATOM 0 HB ILE A 432 -1.510 -2.542 1.256 1.00 0.38 H new ATOM 0 HG12 ILE A 432 -1.181 0.374 0.477 1.00 0.40 H new ATOM 0 HG13 ILE A 432 -0.828 -0.979 -0.578 1.00 0.40 H new ATOM 0 HG21 ILE A 432 -2.986 -0.995 2.478 1.00 0.42 H new ATOM 0 HG22 ILE A 432 -1.724 -1.667 3.538 1.00 0.42 H new ATOM 0 HG23 ILE A 432 -1.577 -0.003 2.923 1.00 0.42 H new ATOM 0 HD11 ILE A 432 -3.037 -0.046 -1.059 1.00 0.46 H new ATOM 0 HD12 ILE A 432 -3.182 -1.712 -0.448 1.00 0.46 H new ATOM 0 HD13 ILE A 432 -3.540 -0.337 0.623 1.00 0.46 H new ATOM 1138 N SER A 433 0.917 -1.805 4.093 1.00 0.34 N ATOM 1139 CA SER A 433 1.207 -2.516 5.336 1.00 0.38 C ATOM 1140 C SER A 433 1.226 -1.556 6.522 1.00 0.36 C ATOM 1141 O SER A 433 1.720 -0.434 6.418 1.00 0.34 O ATOM 1142 CB SER A 433 2.554 -3.235 5.234 1.00 0.41 C ATOM 1143 OG SER A 433 2.486 -4.342 4.354 1.00 0.53 O ATOM 0 H SER A 433 0.965 -0.789 4.172 1.00 0.34 H new ATOM 0 HA SER A 433 0.418 -3.251 5.495 1.00 0.38 H new ATOM 0 HB2 SER A 433 3.315 -2.537 4.884 1.00 0.41 H new ATOM 0 HB3 SER A 433 2.863 -3.574 6.223 1.00 0.41 H new ATOM 0 HG SER A 433 1.595 -4.383 3.948 1.00 0.53 H new ATOM 1149 N ASP A 434 0.680 -2.008 7.647 1.00 0.43 N ATOM 1150 CA ASP A 434 0.629 -1.193 8.858 1.00 0.48 C ATOM 1151 C ASP A 434 2.031 -0.928 9.408 1.00 0.48 C ATOM 1152 O ASP A 434 2.220 -0.041 10.241 1.00 0.74 O ATOM 1153 CB ASP A 434 -0.242 -1.872 9.919 1.00 0.60 C ATOM 1154 CG ASP A 434 0.278 -3.240 10.313 1.00 0.83 C ATOM 1155 OD1 ASP A 434 0.422 -4.101 9.420 1.00 1.12 O ATOM 1156 OD2 ASP A 434 0.534 -3.453 11.517 1.00 1.35 O ATOM 0 H ASP A 434 0.266 -2.935 7.746 1.00 0.43 H new ATOM 0 HA ASP A 434 0.185 -0.232 8.599 1.00 0.48 H new ATOM 0 HB2 ASP A 434 -0.291 -1.237 10.804 1.00 0.60 H new ATOM 0 HB3 ASP A 434 -1.259 -1.970 9.540 1.00 0.60 H new ATOM 1161 N ASN A 435 3.010 -1.700 8.938 1.00 0.43 N ATOM 1162 CA ASN A 435 4.393 -1.539 9.387 1.00 0.47 C ATOM 1163 C ASN A 435 5.255 -0.930 8.284 1.00 0.39 C ATOM 1164 O ASN A 435 5.228 -1.382 7.141 1.00 0.38 O ATOM 1165 CB ASN A 435 4.982 -2.886 9.813 1.00 0.59 C ATOM 1166 CG ASN A 435 4.238 -3.507 10.979 1.00 1.26 C ATOM 1167 OD1 ASN A 435 3.046 -3.793 10.888 1.00 2.16 O ATOM 1168 ND2 ASN A 435 4.943 -3.719 12.083 1.00 1.81 N ATOM 0 H ASN A 435 2.873 -2.440 8.250 1.00 0.43 H new ATOM 0 HA ASN A 435 4.388 -0.865 10.244 1.00 0.47 H new ATOM 0 HB2 ASN A 435 4.960 -3.572 8.966 1.00 0.59 H new ATOM 0 HB3 ASN A 435 6.029 -2.750 10.086 1.00 0.59 H new ATOM 0 HD21 ASN A 435 4.497 -4.135 12.901 1.00 1.81 H new ATOM 0 HD22 ASN A 435 5.931 -3.466 12.114 1.00 1.81 H new ATOM 1175 N ALA A 436 6.013 0.104 8.638 1.00 0.49 N ATOM 1176 CA ALA A 436 6.883 0.790 7.688 1.00 0.55 C ATOM 1177 C ALA A 436 8.131 -0.027 7.361 1.00 0.55 C ATOM 1178 O ALA A 436 8.633 0.017 6.238 1.00 0.54 O ATOM 1179 CB ALA A 436 7.273 2.156 8.230 1.00 0.75 C ATOM 0 H ALA A 436 6.042 0.487 9.583 1.00 0.49 H new ATOM 0 HA ALA A 436 6.324 0.915 6.760 1.00 0.55 H new ATOM 0 HB1 ALA A 436 7.922 2.660 7.514 1.00 0.75 H new ATOM 0 HB2 ALA A 436 6.376 2.754 8.390 1.00 0.75 H new ATOM 0 HB3 ALA A 436 7.801 2.035 9.176 1.00 0.75 H new ATOM 1185 N ASP A 437 8.638 -0.756 8.352 1.00 0.65 N ATOM 1186 CA ASP A 437 9.839 -1.570 8.174 1.00 0.75 C ATOM 1187 C ASP A 437 9.702 -2.525 6.989 1.00 0.71 C ATOM 1188 O ASP A 437 10.648 -2.721 6.226 1.00 0.78 O ATOM 1189 CB ASP A 437 10.131 -2.362 9.450 1.00 0.92 C ATOM 1190 CG ASP A 437 10.372 -1.464 10.647 1.00 1.02 C ATOM 1191 OD1 ASP A 437 9.458 -0.688 11.001 1.00 1.34 O ATOM 1192 OD2 ASP A 437 11.474 -1.535 11.232 1.00 1.34 O ATOM 0 H ASP A 437 8.236 -0.800 9.288 1.00 0.65 H new ATOM 0 HA ASP A 437 10.669 -0.895 7.966 1.00 0.75 H new ATOM 0 HB2 ASP A 437 9.293 -3.027 9.661 1.00 0.92 H new ATOM 0 HB3 ASP A 437 11.006 -2.992 9.291 1.00 0.92 H new ATOM 1197 N ASP A 438 8.521 -3.116 6.841 1.00 0.68 N ATOM 1198 CA ASP A 438 8.261 -4.052 5.751 1.00 0.73 C ATOM 1199 C ASP A 438 8.350 -3.364 4.396 1.00 0.73 C ATOM 1200 O ASP A 438 8.538 -4.016 3.370 1.00 1.35 O ATOM 1201 CB ASP A 438 6.886 -4.700 5.922 1.00 0.88 C ATOM 1202 CG ASP A 438 6.789 -5.519 7.194 1.00 1.08 C ATOM 1203 OD1 ASP A 438 7.587 -6.466 7.354 1.00 1.36 O ATOM 1204 OD2 ASP A 438 5.915 -5.211 8.033 1.00 1.56 O ATOM 0 H ASP A 438 7.727 -2.964 7.463 1.00 0.68 H new ATOM 0 HA ASP A 438 9.027 -4.826 5.788 1.00 0.73 H new ATOM 0 HB2 ASP A 438 6.120 -3.924 5.933 1.00 0.88 H new ATOM 0 HB3 ASP A 438 6.679 -5.340 5.064 1.00 0.88 H new ATOM 1209 N LEU A 439 8.202 -2.049 4.400 1.00 0.54 N ATOM 1210 CA LEU A 439 8.256 -1.276 3.169 1.00 0.53 C ATOM 1211 C LEU A 439 9.657 -0.735 2.897 1.00 0.61 C ATOM 1212 O LEU A 439 10.459 -1.373 2.215 1.00 0.86 O ATOM 1213 CB LEU A 439 7.251 -0.127 3.223 1.00 0.52 C ATOM 1214 CG LEU A 439 5.793 -0.541 3.042 1.00 0.63 C ATOM 1215 CD1 LEU A 439 5.316 -1.383 4.207 1.00 1.12 C ATOM 1216 CD2 LEU A 439 4.910 0.683 2.873 1.00 1.10 C ATOM 0 H LEU A 439 8.044 -1.494 5.241 1.00 0.54 H new ATOM 0 HA LEU A 439 7.996 -1.946 2.350 1.00 0.53 H new ATOM 0 HB2 LEU A 439 7.353 0.381 4.182 1.00 0.52 H new ATOM 0 HB3 LEU A 439 7.507 0.597 2.450 1.00 0.52 H new ATOM 0 HG LEU A 439 5.725 -1.147 2.139 1.00 0.63 H new ATOM 0 HD11 LEU A 439 4.274 -1.663 4.051 1.00 1.12 H new ATOM 0 HD12 LEU A 439 5.927 -2.283 4.280 1.00 1.12 H new ATOM 0 HD13 LEU A 439 5.403 -0.810 5.130 1.00 1.12 H new ATOM 0 HD21 LEU A 439 3.874 0.369 2.745 1.00 1.10 H new ATOM 0 HD22 LEU A 439 4.991 1.315 3.757 1.00 1.10 H new ATOM 0 HD23 LEU A 439 5.230 1.244 1.995 1.00 1.10 H new ATOM 1228 N GLY A 440 9.938 0.450 3.427 1.00 0.59 N ATOM 1229 CA GLY A 440 11.233 1.071 3.225 1.00 0.77 C ATOM 1230 C GLY A 440 11.481 2.206 4.199 1.00 0.96 C ATOM 1231 O GLY A 440 11.857 3.306 3.796 1.00 1.36 O ATOM 0 H GLY A 440 9.289 0.994 3.995 1.00 0.59 H new ATOM 0 HA2 GLY A 440 12.016 0.321 3.337 1.00 0.77 H new ATOM 0 HA3 GLY A 440 11.298 1.449 2.205 1.00 0.77 H new ATOM 1235 N GLY A 441 11.262 1.938 5.483 1.00 0.93 N ATOM 1236 CA GLY A 441 11.461 2.958 6.494 1.00 1.24 C ATOM 1237 C GLY A 441 10.429 4.063 6.409 1.00 1.14 C ATOM 1238 O GLY A 441 9.227 3.796 6.359 1.00 1.83 O ATOM 0 H GLY A 441 10.951 1.034 5.840 1.00 0.93 H new ATOM 0 HA2 GLY A 441 11.418 2.500 7.482 1.00 1.24 H new ATOM 0 HA3 GLY A 441 12.457 3.386 6.384 1.00 1.24 H new ATOM 1242 N ILE A 442 10.897 5.305 6.391 1.00 1.10 N ATOM 1243 CA ILE A 442 10.008 6.458 6.309 1.00 1.03 C ATOM 1244 C ILE A 442 10.439 7.391 5.180 1.00 1.05 C ATOM 1245 O ILE A 442 10.868 8.520 5.423 1.00 1.39 O ATOM 1246 CB ILE A 442 9.972 7.239 7.640 1.00 1.26 C ATOM 1247 CG1 ILE A 442 9.615 6.304 8.799 1.00 1.41 C ATOM 1248 CG2 ILE A 442 8.974 8.388 7.557 1.00 1.38 C ATOM 1249 CD1 ILE A 442 8.250 5.659 8.665 1.00 1.48 C ATOM 0 H ILE A 442 11.889 5.540 6.432 1.00 1.10 H new ATOM 0 HA ILE A 442 9.006 6.082 6.103 1.00 1.03 H new ATOM 0 HB ILE A 442 10.963 7.655 7.823 1.00 1.26 H new ATOM 0 HG12 ILE A 442 10.371 5.522 8.869 1.00 1.41 H new ATOM 0 HG13 ILE A 442 9.651 6.867 9.732 1.00 1.41 H new ATOM 0 HG21 ILE A 442 8.961 8.928 8.504 1.00 1.38 H new ATOM 0 HG22 ILE A 442 9.267 9.067 6.756 1.00 1.38 H new ATOM 0 HG23 ILE A 442 7.979 7.992 7.352 1.00 1.38 H new ATOM 0 HD11 ILE A 442 8.068 5.011 9.522 1.00 1.48 H new ATOM 0 HD12 ILE A 442 7.484 6.433 8.626 1.00 1.48 H new ATOM 0 HD13 ILE A 442 8.215 5.068 7.750 1.00 1.48 H new ATOM 1261 N THR A 443 10.331 6.895 3.945 1.00 1.13 N ATOM 1262 CA THR A 443 10.707 7.658 2.755 1.00 1.36 C ATOM 1263 C THR A 443 11.972 8.466 2.987 1.00 1.47 C ATOM 1264 O THR A 443 12.025 9.672 2.742 1.00 2.20 O ATOM 1265 CB THR A 443 9.574 8.577 2.280 1.00 2.21 C ATOM 1266 OG1 THR A 443 9.975 9.289 1.103 1.00 3.05 O ATOM 1267 CG2 THR A 443 9.158 9.565 3.360 1.00 2.78 C ATOM 0 H THR A 443 9.982 5.958 3.743 1.00 1.13 H new ATOM 0 HA THR A 443 10.902 6.929 1.969 1.00 1.36 H new ATOM 0 HB THR A 443 8.715 7.946 2.052 1.00 2.21 H new ATOM 0 HG1 THR A 443 10.818 9.758 1.276 1.00 3.05 H new ATOM 0 HG21 THR A 443 8.354 10.197 2.984 1.00 2.78 H new ATOM 0 HG22 THR A 443 8.811 9.020 4.238 1.00 2.78 H new ATOM 0 HG23 THR A 443 10.011 10.186 3.633 1.00 2.78 H new ATOM 1275 N VAL A 444 12.984 7.776 3.468 1.00 1.90 N ATOM 1276 CA VAL A 444 14.274 8.389 3.758 1.00 2.70 C ATOM 1277 C VAL A 444 15.417 7.408 3.487 1.00 3.02 C ATOM 1278 O VAL A 444 16.191 7.057 4.378 1.00 3.60 O ATOM 1279 CB VAL A 444 14.334 8.902 5.217 1.00 3.53 C ATOM 1280 CG1 VAL A 444 14.122 7.763 6.206 1.00 4.18 C ATOM 1281 CG2 VAL A 444 15.647 9.623 5.487 1.00 4.02 C ATOM 0 H VAL A 444 12.942 6.777 3.670 1.00 1.90 H new ATOM 0 HA VAL A 444 14.391 9.245 3.094 1.00 2.70 H new ATOM 0 HB VAL A 444 13.524 9.618 5.354 1.00 3.53 H new ATOM 0 HG11 VAL A 444 14.169 8.151 7.223 1.00 4.18 H new ATOM 0 HG12 VAL A 444 13.145 7.310 6.035 1.00 4.18 H new ATOM 0 HG13 VAL A 444 14.900 7.012 6.068 1.00 4.18 H new ATOM 0 HG21 VAL A 444 15.664 9.974 6.519 1.00 4.02 H new ATOM 0 HG22 VAL A 444 16.479 8.938 5.323 1.00 4.02 H new ATOM 0 HG23 VAL A 444 15.740 10.475 4.813 1.00 4.02 H new ATOM 1291 N LEU A 445 15.508 6.968 2.234 1.00 3.13 N ATOM 1292 CA LEU A 445 16.543 6.027 1.816 1.00 3.83 C ATOM 1293 C LEU A 445 17.928 6.504 2.252 1.00 4.75 C ATOM 1294 O LEU A 445 18.191 7.706 2.298 1.00 4.99 O ATOM 1295 CB LEU A 445 16.509 5.845 0.296 1.00 3.87 C ATOM 1296 CG LEU A 445 15.197 5.289 -0.264 1.00 3.48 C ATOM 1297 CD1 LEU A 445 15.256 5.207 -1.782 1.00 3.82 C ATOM 1298 CD2 LEU A 445 14.900 3.919 0.330 1.00 3.70 C ATOM 0 H LEU A 445 14.873 7.250 1.487 1.00 3.13 H new ATOM 0 HA LEU A 445 16.343 5.070 2.297 1.00 3.83 H new ATOM 0 HB2 LEU A 445 16.707 6.808 -0.174 1.00 3.87 H new ATOM 0 HB3 LEU A 445 17.321 5.177 0.008 1.00 3.87 H new ATOM 0 HG LEU A 445 14.391 5.968 0.014 1.00 3.48 H new ATOM 0 HD11 LEU A 445 14.315 4.810 -2.162 1.00 3.82 H new ATOM 0 HD12 LEU A 445 15.422 6.202 -2.194 1.00 3.82 H new ATOM 0 HD13 LEU A 445 16.073 4.550 -2.079 1.00 3.82 H new ATOM 0 HD21 LEU A 445 13.964 3.540 -0.080 1.00 3.70 H new ATOM 0 HD22 LEU A 445 15.709 3.232 0.082 1.00 3.70 H new ATOM 0 HD23 LEU A 445 14.814 4.003 1.413 1.00 3.70 H new ATOM 1310 N PRO A 446 18.832 5.561 2.587 1.00 5.56 N ATOM 1311 CA PRO A 446 20.193 5.887 3.028 1.00 6.59 C ATOM 1312 C PRO A 446 20.875 6.902 2.118 1.00 7.07 C ATOM 1313 O PRO A 446 20.699 6.879 0.899 1.00 7.26 O ATOM 1314 CB PRO A 446 20.914 4.540 2.965 1.00 7.40 C ATOM 1315 CG PRO A 446 19.842 3.529 3.181 1.00 6.97 C ATOM 1316 CD PRO A 446 18.594 4.103 2.565 1.00 5.82 C ATOM 0 HA PRO A 446 20.202 6.347 4.016 1.00 6.59 H new ATOM 0 HB2 PRO A 446 21.405 4.398 2.002 1.00 7.40 H new ATOM 0 HB3 PRO A 446 21.687 4.468 3.730 1.00 7.40 H new ATOM 0 HG2 PRO A 446 20.104 2.578 2.716 1.00 6.97 H new ATOM 0 HG3 PRO A 446 19.698 3.335 4.244 1.00 6.97 H new ATOM 0 HD2 PRO A 446 18.444 3.737 1.549 1.00 5.82 H new ATOM 0 HD3 PRO A 446 17.705 3.834 3.136 1.00 5.82 H new ATOM 1324 N ALA A 447 21.652 7.797 2.721 1.00 7.52 N ATOM 1325 CA ALA A 447 22.360 8.827 1.972 1.00 8.19 C ATOM 1326 C ALA A 447 23.561 9.348 2.761 1.00 8.83 C ATOM 1327 O ALA A 447 23.476 9.551 3.973 1.00 9.06 O ATOM 1328 CB ALA A 447 21.417 9.970 1.626 1.00 8.42 C ATOM 0 H ALA A 447 21.807 7.829 3.729 1.00 7.52 H new ATOM 0 HA ALA A 447 22.729 8.383 1.047 1.00 8.19 H new ATOM 0 HB1 ALA A 447 21.959 10.732 1.067 1.00 8.42 H new ATOM 0 HB2 ALA A 447 20.594 9.592 1.020 1.00 8.42 H new ATOM 0 HB3 ALA A 447 21.022 10.406 2.543 1.00 8.42 H new ATOM 1334 N PRO A 448 24.702 9.566 2.081 1.00 9.38 N ATOM 1335 CA PRO A 448 25.926 10.058 2.726 1.00 10.23 C ATOM 1336 C PRO A 448 25.726 11.406 3.420 1.00 10.87 C ATOM 1337 O PRO A 448 25.177 12.340 2.834 1.00 11.06 O ATOM 1338 CB PRO A 448 26.918 10.199 1.566 1.00 10.80 C ATOM 1339 CG PRO A 448 26.385 9.314 0.490 1.00 10.31 C ATOM 1340 CD PRO A 448 24.893 9.343 0.637 1.00 9.48 C ATOM 0 HA PRO A 448 26.262 9.382 3.512 1.00 10.23 H new ATOM 0 HB2 PRO A 448 26.986 11.233 1.229 1.00 10.80 H new ATOM 0 HB3 PRO A 448 27.921 9.895 1.866 1.00 10.80 H new ATOM 0 HG2 PRO A 448 26.688 9.670 -0.495 1.00 10.31 H new ATOM 0 HG3 PRO A 448 26.768 8.299 0.593 1.00 10.31 H new ATOM 0 HD2 PRO A 448 24.445 10.140 0.044 1.00 9.48 H new ATOM 0 HD3 PRO A 448 24.438 8.408 0.310 1.00 9.48 H new ATOM 1348 N PRO A 449 26.180 11.529 4.684 1.00 11.41 N ATOM 1349 CA PRO A 449 26.056 12.772 5.456 1.00 12.23 C ATOM 1350 C PRO A 449 26.896 13.902 4.869 1.00 13.10 C ATOM 1351 O PRO A 449 27.986 13.668 4.345 1.00 13.50 O ATOM 1352 CB PRO A 449 26.571 12.389 6.847 1.00 12.72 C ATOM 1353 CG PRO A 449 27.454 11.211 6.616 1.00 12.39 C ATOM 1354 CD PRO A 449 26.855 10.468 5.456 1.00 11.49 C ATOM 0 HA PRO A 449 25.032 13.147 5.459 1.00 12.23 H new ATOM 0 HB2 PRO A 449 27.121 13.211 7.305 1.00 12.72 H new ATOM 0 HB3 PRO A 449 25.749 12.141 7.519 1.00 12.72 H new ATOM 0 HG2 PRO A 449 28.474 11.525 6.394 1.00 12.39 H new ATOM 0 HG3 PRO A 449 27.501 10.579 7.502 1.00 12.39 H new ATOM 0 HD2 PRO A 449 27.619 9.964 4.864 1.00 11.49 H new ATOM 0 HD3 PRO A 449 26.153 9.703 5.788 1.00 11.49 H new ATOM 1362 N LEU A 450 26.380 15.125 4.957 1.00 13.55 N ATOM 1363 CA LEU A 450 27.081 16.292 4.431 1.00 14.50 C ATOM 1364 C LEU A 450 28.497 16.386 4.994 1.00 14.96 C ATOM 1365 O LEU A 450 28.751 15.989 6.132 1.00 15.17 O ATOM 1366 CB LEU A 450 26.289 17.574 4.730 1.00 15.07 C ATOM 1367 CG LEU A 450 25.880 17.786 6.193 1.00 15.25 C ATOM 1368 CD1 LEU A 450 27.070 18.219 7.039 1.00 15.76 C ATOM 1369 CD2 LEU A 450 24.760 18.812 6.287 1.00 15.35 C ATOM 0 H LEU A 450 25.479 15.333 5.388 1.00 13.55 H new ATOM 0 HA LEU A 450 27.161 16.179 3.350 1.00 14.50 H new ATOM 0 HB2 LEU A 450 26.887 18.429 4.413 1.00 15.07 H new ATOM 0 HB3 LEU A 450 25.387 17.571 4.118 1.00 15.07 H new ATOM 0 HG LEU A 450 25.518 16.835 6.583 1.00 15.25 H new ATOM 0 HD11 LEU A 450 26.750 18.362 8.071 1.00 15.76 H new ATOM 0 HD12 LEU A 450 27.842 17.450 7.001 1.00 15.76 H new ATOM 0 HD13 LEU A 450 27.471 19.155 6.651 1.00 15.76 H new ATOM 0 HD21 LEU A 450 24.481 18.951 7.331 1.00 15.35 H new ATOM 0 HD22 LEU A 450 25.100 19.761 5.873 1.00 15.35 H new ATOM 0 HD23 LEU A 450 23.896 18.460 5.724 1.00 15.35 H new ATOM 1381 N ALA A 451 29.414 16.905 4.178 1.00 15.28 N ATOM 1382 CA ALA A 451 30.814 17.052 4.569 1.00 15.91 C ATOM 1383 C ALA A 451 31.474 15.691 4.793 1.00 16.47 C ATOM 1384 O ALA A 451 30.945 14.845 5.513 1.00 16.74 O ATOM 1385 CB ALA A 451 30.931 17.913 5.819 1.00 16.18 C ATOM 0 H ALA A 451 29.209 17.233 3.234 1.00 15.28 H new ATOM 0 HA ALA A 451 31.339 17.548 3.752 1.00 15.91 H new ATOM 0 HB1 ALA A 451 31.981 18.012 6.096 1.00 16.18 H new ATOM 0 HB2 ALA A 451 30.513 18.900 5.621 1.00 16.18 H new ATOM 0 HB3 ALA A 451 30.383 17.444 6.636 1.00 16.18 H new ATOM 1391 N PRO A 452 32.648 15.460 4.174 1.00 16.82 N ATOM 1392 CA PRO A 452 33.374 14.194 4.310 1.00 17.52 C ATOM 1393 C PRO A 452 33.921 13.983 5.718 1.00 18.21 C ATOM 1394 O PRO A 452 34.527 14.884 6.300 1.00 18.53 O ATOM 1395 CB PRO A 452 34.521 14.324 3.304 1.00 17.79 C ATOM 1396 CG PRO A 452 34.714 15.789 3.132 1.00 17.36 C ATOM 1397 CD PRO A 452 33.354 16.410 3.293 1.00 16.73 C ATOM 0 HA PRO A 452 32.726 13.337 4.127 1.00 17.52 H new ATOM 0 HB2 PRO A 452 35.428 13.847 3.675 1.00 17.79 H new ATOM 0 HB3 PRO A 452 34.273 13.844 2.357 1.00 17.79 H new ATOM 0 HG2 PRO A 452 35.411 16.180 3.873 1.00 17.36 H new ATOM 0 HG3 PRO A 452 35.132 16.015 2.151 1.00 17.36 H new ATOM 0 HD2 PRO A 452 33.416 17.403 3.739 1.00 16.73 H new ATOM 0 HD3 PRO A 452 32.847 16.522 2.335 1.00 16.73 H new ATOM 1405 N ASP A 453 33.709 12.784 6.254 1.00 18.57 N ATOM 1406 CA ASP A 453 34.183 12.440 7.591 1.00 19.36 C ATOM 1407 C ASP A 453 33.919 10.968 7.891 1.00 19.52 C ATOM 1408 O ASP A 453 32.789 10.494 7.771 1.00 19.55 O ATOM 1409 CB ASP A 453 33.495 13.317 8.644 1.00 19.71 C ATOM 1410 CG ASP A 453 34.015 13.064 10.046 1.00 20.25 C ATOM 1411 OD1 ASP A 453 33.869 11.925 10.536 1.00 20.48 O ATOM 1412 OD2 ASP A 453 34.568 14.005 10.654 1.00 20.55 O ATOM 0 H ASP A 453 33.210 12.031 5.780 1.00 18.57 H new ATOM 0 HA ASP A 453 35.258 12.619 7.628 1.00 19.36 H new ATOM 0 HB2 ASP A 453 33.643 14.367 8.390 1.00 19.71 H new ATOM 0 HB3 ASP A 453 32.421 13.132 8.620 1.00 19.71 H new ATOM 1417 N GLN A 454 34.967 10.251 8.282 1.00 19.77 N ATOM 1418 CA GLN A 454 34.847 8.833 8.599 1.00 20.09 C ATOM 1419 C GLN A 454 34.064 8.630 9.893 1.00 20.37 C ATOM 1420 O GLN A 454 34.677 8.733 10.978 1.00 20.63 O ATOM 1421 CB GLN A 454 36.233 8.196 8.717 1.00 20.30 C ATOM 1422 CG GLN A 454 36.196 6.707 9.014 1.00 20.53 C ATOM 1423 CD GLN A 454 37.579 6.093 9.098 1.00 20.93 C ATOM 1424 OE1 GLN A 454 38.397 6.488 9.930 1.00 21.22 O ATOM 1425 NE2 GLN A 454 37.850 5.121 8.234 1.00 21.08 N ATOM 1426 OXT GLN A 454 32.846 8.369 9.813 1.00 20.45 O ATOM 0 H GLN A 454 35.909 10.629 8.387 1.00 19.77 H new ATOM 0 HA GLN A 454 34.303 8.348 7.788 1.00 20.09 H new ATOM 0 HB2 GLN A 454 36.779 8.359 7.788 1.00 20.30 H new ATOM 0 HB3 GLN A 454 36.790 8.701 9.506 1.00 20.30 H new ATOM 0 HG2 GLN A 454 35.672 6.541 9.955 1.00 20.53 H new ATOM 0 HG3 GLN A 454 35.624 6.200 8.237 1.00 20.53 H new ATOM 0 HE21 GLN A 454 37.143 4.825 7.561 1.00 21.08 H new ATOM 0 HE22 GLN A 454 38.765 4.671 8.243 1.00 21.08 H new TER 1435 GLN A 454