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 391 THR OG1 : rot -49:sc= 0.753 USER MOD Set 1.2: A 393 HIS : no HD1:sc= -0.876 X(o=0.026,f=0.077) USER MOD Set 1.3: A 443 THR OG1 : rot 71:sc= 0.149 USER MOD Set 2.1: A 366 MET CE :methyl -123:sc= -0.118 (180deg=-2.29!) USER MOD Set 2.2: A 372 LYS NZ :NH3+ 134:sc= -0.0512 (180deg=-0.281) USER MOD Single : A 364 SER OG : rot 180:sc= 0 USER MOD Single : A 365 HIS : no HE2:sc= -0.134 K(o=-0.13,f=-3.3!) USER MOD Single : A 370 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 371 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 376 SER OG : rot 180:sc= 0 USER MOD Single : A 378 ASN : amide:sc= -2.47 K(o=-2.5,f=-1.7) USER MOD Single : A 381 LYS NZ :NH3+ 165:sc= -0.0207 (180deg=-0.307) USER MOD Single : A 383 TYR OH : rot 180:sc= 0 USER MOD Single : A 396 GLN : amide:sc= -0.285 X(o=-0.29,f=-0.045) USER MOD Single : A 399 GLN : amide:sc= 0 X(o=0,f=0.027) USER MOD Single : A 400 SER OG : rot 180:sc= 0 USER MOD Single : A 402 THR OG1 : rot 180:sc= 0 USER MOD Single : A 403 THR OG1 : rot -43:sc= -0.235! USER MOD Single : A 405 ASN : amide:sc= -2.56! C(o=-2.6!,f=-7.1!) USER MOD Single : A 412 TYR OH : rot -174:sc= 1.22 USER MOD Single : A 413 TYR OH : rot 180:sc= 0 USER MOD Single : A 415 HIS : no HD1:sc= -1.38 K(o=-1.4,f=-2.8!) USER MOD Single : A 416 TYR OH : rot 165:sc= -2.11! USER MOD Single : A 420 ASN : amide:sc= 0.194 K(o=0.19,f=-9.6!) USER MOD Single : A 430 HIS : no HD1:sc= -0.454 K(o=-0.45,f=-3.2!) USER MOD Single : A 433 SER OG : rot -14:sc= 0.384 USER MOD Single : A 435 ASN : amide:sc= -5! K(o=-5!,f=-0.64) USER MOD Single : A 454 GLN : amide:sc= -5.74! K(o=-5.7!,f=0.0076) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 363 -11.293 -27.217 -2.624 1.00 11.64 N ATOM 2 CA GLY A 363 -11.723 -26.038 -3.424 1.00 11.03 C ATOM 3 C GLY A 363 -12.249 -24.911 -2.557 1.00 10.23 C ATOM 4 O GLY A 363 -13.290 -24.326 -2.854 1.00 10.21 O ATOM 0 HA2 GLY A 363 -10.881 -25.676 -4.014 1.00 11.03 H new ATOM 0 HA3 GLY A 363 -12.497 -26.343 -4.128 1.00 11.03 H new ATOM 10 N SER A 364 -11.527 -24.608 -1.481 1.00 9.80 N ATOM 11 CA SER A 364 -11.928 -23.545 -0.567 1.00 9.25 C ATOM 12 C SER A 364 -11.967 -22.198 -1.281 1.00 8.36 C ATOM 13 O SER A 364 -11.018 -21.822 -1.968 1.00 8.24 O ATOM 14 CB SER A 364 -10.968 -23.476 0.623 1.00 9.60 C ATOM 15 OG SER A 364 -10.952 -24.700 1.337 1.00 9.86 O ATOM 0 H SER A 364 -10.663 -25.084 -1.222 1.00 9.80 H new ATOM 0 HA SER A 364 -12.930 -23.773 -0.204 1.00 9.25 H new ATOM 0 HB2 SER A 364 -9.963 -23.244 0.271 1.00 9.60 H new ATOM 0 HB3 SER A 364 -11.267 -22.667 1.289 1.00 9.60 H new ATOM 0 HG SER A 364 -10.330 -24.631 2.091 1.00 9.86 H new ATOM 21 N HIS A 365 -13.073 -21.480 -1.115 1.00 7.98 N ATOM 22 CA HIS A 365 -13.240 -20.174 -1.744 1.00 7.35 C ATOM 23 C HIS A 365 -12.538 -19.079 -0.944 1.00 6.30 C ATOM 24 O HIS A 365 -13.037 -17.959 -0.843 1.00 6.44 O ATOM 25 CB HIS A 365 -14.728 -19.848 -1.890 1.00 7.88 C ATOM 26 CG HIS A 365 -15.485 -19.904 -0.599 1.00 7.65 C ATOM 27 ND1 HIS A 365 -15.191 -19.102 0.484 1.00 7.18 N ATOM 28 CD2 HIS A 365 -16.535 -20.672 -0.222 1.00 8.07 C ATOM 29 CE1 HIS A 365 -16.026 -19.375 1.472 1.00 7.26 C ATOM 30 NE2 HIS A 365 -16.851 -20.324 1.069 1.00 7.79 N ATOM 0 H HIS A 365 -13.867 -21.780 -0.550 1.00 7.98 H new ATOM 0 HA HIS A 365 -12.782 -20.214 -2.732 1.00 7.35 H new ATOM 0 HB2 HIS A 365 -14.832 -18.852 -2.319 1.00 7.88 H new ATOM 0 HB3 HIS A 365 -15.177 -20.548 -2.595 1.00 7.88 H new ATOM 0 HD1 HIS A 365 -14.446 -18.407 0.517 1.00 7.18 H new ATOM 0 HD2 HIS A 365 -17.031 -21.419 -0.824 1.00 8.07 H new ATOM 0 HE1 HIS A 365 -16.032 -18.902 2.443 1.00 7.26 H new ATOM 39 N MET A 366 -11.374 -19.411 -0.386 1.00 5.51 N ATOM 40 CA MET A 366 -10.591 -18.460 0.402 1.00 4.67 C ATOM 41 C MET A 366 -11.356 -18.023 1.652 1.00 4.56 C ATOM 42 O MET A 366 -12.583 -17.929 1.641 1.00 4.71 O ATOM 43 CB MET A 366 -10.220 -17.242 -0.449 1.00 4.15 C ATOM 44 CG MET A 366 -9.174 -16.343 0.190 1.00 3.72 C ATOM 45 SD MET A 366 -8.682 -14.980 -0.883 1.00 3.31 S ATOM 46 CE MET A 366 -7.347 -14.261 0.070 1.00 2.76 C ATOM 0 H MET A 366 -10.951 -20.336 -0.466 1.00 5.51 H new ATOM 0 HA MET A 366 -9.675 -18.957 0.722 1.00 4.67 H new ATOM 0 HB2 MET A 366 -9.850 -17.585 -1.415 1.00 4.15 H new ATOM 0 HB3 MET A 366 -11.120 -16.657 -0.641 1.00 4.15 H new ATOM 0 HG2 MET A 366 -9.567 -15.942 1.124 1.00 3.72 H new ATOM 0 HG3 MET A 366 -8.296 -16.937 0.443 1.00 3.72 H new ATOM 0 HE1 MET A 366 -7.564 -13.211 0.265 1.00 2.76 H new ATOM 0 HE2 MET A 366 -7.248 -14.793 1.016 1.00 2.76 H new ATOM 0 HE3 MET A 366 -6.416 -14.341 -0.491 1.00 2.76 H new ATOM 56 N ASP A 367 -10.623 -17.773 2.733 1.00 4.67 N ATOM 57 CA ASP A 367 -11.232 -17.361 3.995 1.00 4.80 C ATOM 58 C ASP A 367 -12.186 -16.183 3.793 1.00 4.50 C ATOM 59 O ASP A 367 -11.805 -15.156 3.232 1.00 4.10 O ATOM 60 CB ASP A 367 -10.149 -16.981 5.007 1.00 4.92 C ATOM 61 CG ASP A 367 -9.213 -18.133 5.312 1.00 5.55 C ATOM 62 OD1 ASP A 367 -8.556 -18.630 4.373 1.00 5.80 O ATOM 63 OD2 ASP A 367 -9.135 -18.540 6.491 1.00 6.06 O ATOM 0 H ASP A 367 -9.606 -17.848 2.761 1.00 4.67 H new ATOM 0 HA ASP A 367 -11.806 -18.205 4.378 1.00 4.80 H new ATOM 0 HB2 ASP A 367 -9.573 -16.141 4.620 1.00 4.92 H new ATOM 0 HB3 ASP A 367 -10.620 -16.645 5.931 1.00 4.92 H new ATOM 68 N PRO A 368 -13.447 -16.320 4.249 1.00 4.98 N ATOM 69 CA PRO A 368 -14.457 -15.264 4.115 1.00 5.12 C ATOM 70 C PRO A 368 -14.290 -14.153 5.144 1.00 5.15 C ATOM 71 O PRO A 368 -15.275 -13.615 5.652 1.00 5.66 O ATOM 72 CB PRO A 368 -15.767 -16.007 4.358 1.00 5.90 C ATOM 73 CG PRO A 368 -15.403 -17.132 5.266 1.00 6.16 C ATOM 74 CD PRO A 368 -13.987 -17.516 4.925 1.00 5.69 C ATOM 0 HA PRO A 368 -14.393 -14.765 3.148 1.00 5.12 H new ATOM 0 HB2 PRO A 368 -16.513 -15.356 4.814 1.00 5.90 H new ATOM 0 HB3 PRO A 368 -16.193 -16.374 3.424 1.00 5.90 H new ATOM 0 HG2 PRO A 368 -15.482 -16.829 6.310 1.00 6.16 H new ATOM 0 HG3 PRO A 368 -16.078 -17.976 5.127 1.00 6.16 H new ATOM 0 HD2 PRO A 368 -13.414 -17.763 5.819 1.00 5.69 H new ATOM 0 HD3 PRO A 368 -13.956 -18.390 4.275 1.00 5.69 H new ATOM 82 N LEU A 369 -13.043 -13.813 5.442 1.00 4.84 N ATOM 83 CA LEU A 369 -12.743 -12.766 6.410 1.00 5.12 C ATOM 84 C LEU A 369 -11.239 -12.561 6.521 1.00 4.61 C ATOM 85 O LEU A 369 -10.746 -11.440 6.399 1.00 4.91 O ATOM 86 CB LEU A 369 -13.335 -13.121 7.777 1.00 5.80 C ATOM 87 CG LEU A 369 -12.837 -12.271 8.948 1.00 6.34 C ATOM 88 CD1 LEU A 369 -13.129 -10.797 8.707 1.00 6.73 C ATOM 89 CD2 LEU A 369 -13.473 -12.735 10.249 1.00 6.94 C ATOM 0 H LEU A 369 -12.220 -14.249 5.026 1.00 4.84 H new ATOM 0 HA LEU A 369 -13.195 -11.835 6.066 1.00 5.12 H new ATOM 0 HB2 LEU A 369 -14.420 -13.030 7.719 1.00 5.80 H new ATOM 0 HB3 LEU A 369 -13.114 -14.167 7.989 1.00 5.80 H new ATOM 0 HG LEU A 369 -11.757 -12.396 9.027 1.00 6.34 H new ATOM 0 HD11 LEU A 369 -12.767 -10.211 9.552 1.00 6.73 H new ATOM 0 HD12 LEU A 369 -12.626 -10.471 7.797 1.00 6.73 H new ATOM 0 HD13 LEU A 369 -14.204 -10.652 8.600 1.00 6.73 H new ATOM 0 HD21 LEU A 369 -13.108 -12.120 11.072 1.00 6.94 H new ATOM 0 HD22 LEU A 369 -14.557 -12.641 10.178 1.00 6.94 H new ATOM 0 HD23 LEU A 369 -13.211 -13.777 10.431 1.00 6.94 H new ATOM 101 N MET A 370 -10.512 -13.651 6.738 1.00 4.12 N ATOM 102 CA MET A 370 -9.062 -13.585 6.845 1.00 3.87 C ATOM 103 C MET A 370 -8.438 -13.583 5.450 1.00 3.02 C ATOM 104 O MET A 370 -7.357 -14.131 5.234 1.00 3.06 O ATOM 105 CB MET A 370 -8.535 -14.766 7.665 1.00 4.63 C ATOM 106 CG MET A 370 -7.068 -14.641 8.051 1.00 5.03 C ATOM 107 SD MET A 370 -6.744 -13.202 9.088 1.00 5.63 S ATOM 108 CE MET A 370 -4.977 -13.358 9.338 1.00 5.52 C ATOM 0 H MET A 370 -10.903 -14.587 6.843 1.00 4.12 H new ATOM 0 HA MET A 370 -8.786 -12.662 7.355 1.00 3.87 H new ATOM 0 HB2 MET A 370 -9.133 -14.862 8.572 1.00 4.63 H new ATOM 0 HB3 MET A 370 -8.674 -15.684 7.093 1.00 4.63 H new ATOM 0 HG2 MET A 370 -6.757 -15.542 8.579 1.00 5.03 H new ATOM 0 HG3 MET A 370 -6.462 -14.576 7.147 1.00 5.03 H new ATOM 0 HE1 MET A 370 -4.624 -12.538 9.963 1.00 5.52 H new ATOM 0 HE2 MET A 370 -4.761 -14.307 9.829 1.00 5.52 H new ATOM 0 HE3 MET A 370 -4.469 -13.324 8.374 1.00 5.52 H new ATOM 118 N GLN A 371 -9.138 -12.962 4.503 1.00 2.80 N ATOM 119 CA GLN A 371 -8.669 -12.881 3.126 1.00 2.63 C ATOM 120 C GLN A 371 -7.638 -11.768 2.962 1.00 2.21 C ATOM 121 O GLN A 371 -7.727 -10.954 2.042 1.00 2.80 O ATOM 122 CB GLN A 371 -9.848 -12.666 2.172 1.00 3.46 C ATOM 123 CG GLN A 371 -10.766 -11.522 2.571 1.00 3.91 C ATOM 124 CD GLN A 371 -11.842 -11.253 1.538 1.00 4.54 C ATOM 125 OE1 GLN A 371 -11.548 -10.945 0.384 1.00 4.97 O ATOM 126 NE2 GLN A 371 -13.101 -11.369 1.950 1.00 5.04 N ATOM 0 H GLN A 371 -10.036 -12.506 4.668 1.00 2.80 H new ATOM 0 HA GLN A 371 -8.186 -13.826 2.877 1.00 2.63 H new ATOM 0 HB2 GLN A 371 -9.462 -12.476 1.171 1.00 3.46 H new ATOM 0 HB3 GLN A 371 -10.432 -13.585 2.119 1.00 3.46 H new ATOM 0 HG2 GLN A 371 -11.235 -11.754 3.527 1.00 3.91 H new ATOM 0 HG3 GLN A 371 -10.173 -10.619 2.717 1.00 3.91 H new ATOM 0 HE21 GLN A 371 -13.300 -11.627 2.917 1.00 5.04 H new ATOM 0 HE22 GLN A 371 -13.868 -11.200 1.299 1.00 5.04 H new ATOM 135 N LYS A 372 -6.653 -11.755 3.858 1.00 1.82 N ATOM 136 CA LYS A 372 -5.583 -10.769 3.835 1.00 1.77 C ATOM 137 C LYS A 372 -6.116 -9.344 3.980 1.00 1.50 C ATOM 138 O LYS A 372 -6.825 -8.846 3.110 1.00 1.89 O ATOM 139 CB LYS A 372 -4.792 -10.901 2.539 1.00 2.26 C ATOM 140 CG LYS A 372 -4.093 -12.241 2.380 1.00 2.93 C ATOM 141 CD LYS A 372 -3.288 -12.296 1.092 1.00 3.98 C ATOM 142 CE LYS A 372 -2.628 -13.652 0.901 1.00 4.77 C ATOM 143 NZ LYS A 372 -3.630 -14.748 0.801 1.00 5.39 N ATOM 0 H LYS A 372 -6.577 -12.430 4.619 1.00 1.82 H new ATOM 0 HA LYS A 372 -4.932 -10.963 4.687 1.00 1.77 H new ATOM 0 HB2 LYS A 372 -5.467 -10.751 1.696 1.00 2.26 H new ATOM 0 HB3 LYS A 372 -4.047 -10.106 2.496 1.00 2.26 H new ATOM 0 HG2 LYS A 372 -3.434 -12.413 3.231 1.00 2.93 H new ATOM 0 HG3 LYS A 372 -4.833 -13.042 2.383 1.00 2.93 H new ATOM 0 HD2 LYS A 372 -3.941 -12.086 0.245 1.00 3.98 H new ATOM 0 HD3 LYS A 372 -2.525 -11.518 1.106 1.00 3.98 H new ATOM 0 HE2 LYS A 372 -2.018 -13.635 -0.002 1.00 4.77 H new ATOM 0 HE3 LYS A 372 -1.956 -13.850 1.736 1.00 4.77 H new ATOM 0 HZ1 LYS A 372 -3.385 -15.370 0.004 1.00 5.39 H new ATOM 0 HZ2 LYS A 372 -3.631 -15.299 1.683 1.00 5.39 H new ATOM 0 HZ3 LYS A 372 -4.575 -14.342 0.646 1.00 5.39 H new ATOM 157 N ILE A 373 -5.734 -8.694 5.078 1.00 1.42 N ATOM 158 CA ILE A 373 -6.130 -7.316 5.359 1.00 1.22 C ATOM 159 C ILE A 373 -7.647 -7.113 5.344 1.00 1.13 C ATOM 160 O ILE A 373 -8.361 -7.654 4.502 1.00 1.20 O ATOM 161 CB ILE A 373 -5.475 -6.344 4.361 1.00 1.16 C ATOM 162 CG1 ILE A 373 -3.951 -6.402 4.492 1.00 1.40 C ATOM 163 CG2 ILE A 373 -5.980 -4.922 4.581 1.00 1.26 C ATOM 164 CD1 ILE A 373 -3.221 -5.500 3.517 1.00 1.48 C ATOM 0 H ILE A 373 -5.141 -9.108 5.797 1.00 1.42 H new ATOM 0 HA ILE A 373 -5.780 -7.103 6.369 1.00 1.22 H new ATOM 0 HB ILE A 373 -5.750 -6.647 3.351 1.00 1.16 H new ATOM 0 HG12 ILE A 373 -3.672 -6.125 5.509 1.00 1.40 H new ATOM 0 HG13 ILE A 373 -3.621 -7.430 4.340 1.00 1.40 H new ATOM 0 HG21 ILE A 373 -5.504 -4.252 3.865 1.00 1.26 H new ATOM 0 HG22 ILE A 373 -7.061 -4.894 4.441 1.00 1.26 H new ATOM 0 HG23 ILE A 373 -5.737 -4.602 5.594 1.00 1.26 H new ATOM 0 HD11 ILE A 373 -2.146 -5.594 3.669 1.00 1.48 H new ATOM 0 HD12 ILE A 373 -3.470 -5.790 2.496 1.00 1.48 H new ATOM 0 HD13 ILE A 373 -3.522 -4.466 3.683 1.00 1.48 H new ATOM 176 N ASP A 374 -8.125 -6.303 6.283 1.00 1.16 N ATOM 177 CA ASP A 374 -9.544 -5.989 6.386 1.00 1.17 C ATOM 178 C ASP A 374 -9.725 -4.509 6.704 1.00 1.03 C ATOM 179 O ASP A 374 -9.053 -3.968 7.581 1.00 1.25 O ATOM 180 CB ASP A 374 -10.213 -6.843 7.465 1.00 1.40 C ATOM 181 CG ASP A 374 -10.188 -8.325 7.138 1.00 1.77 C ATOM 182 OD1 ASP A 374 -9.079 -8.889 7.035 1.00 2.17 O ATOM 183 OD2 ASP A 374 -11.276 -8.919 6.984 1.00 2.04 O ATOM 0 H ASP A 374 -7.544 -5.849 6.988 1.00 1.16 H new ATOM 0 HA ASP A 374 -10.018 -6.212 5.430 1.00 1.17 H new ATOM 0 HB2 ASP A 374 -9.710 -6.677 8.418 1.00 1.40 H new ATOM 0 HB3 ASP A 374 -11.247 -6.520 7.589 1.00 1.40 H new ATOM 188 N ILE A 375 -10.617 -3.852 5.974 1.00 0.84 N ATOM 189 CA ILE A 375 -10.863 -2.429 6.175 1.00 0.76 C ATOM 190 C ILE A 375 -11.741 -2.166 7.390 1.00 0.76 C ATOM 191 O ILE A 375 -11.504 -1.220 8.141 1.00 0.79 O ATOM 192 CB ILE A 375 -11.525 -1.787 4.951 1.00 0.77 C ATOM 193 CG1 ILE A 375 -10.628 -1.935 3.720 1.00 0.82 C ATOM 194 CG2 ILE A 375 -11.806 -0.323 5.245 1.00 0.84 C ATOM 195 CD1 ILE A 375 -11.270 -1.445 2.443 1.00 0.92 C ATOM 0 H ILE A 375 -11.181 -4.280 5.239 1.00 0.84 H new ATOM 0 HA ILE A 375 -9.883 -1.981 6.336 1.00 0.76 H new ATOM 0 HB ILE A 375 -12.467 -2.293 4.739 1.00 0.77 H new ATOM 0 HG12 ILE A 375 -9.702 -1.384 3.887 1.00 0.82 H new ATOM 0 HG13 ILE A 375 -10.357 -2.984 3.602 1.00 0.82 H new ATOM 0 HG21 ILE A 375 -12.277 0.138 4.377 1.00 0.84 H new ATOM 0 HG22 ILE A 375 -12.473 -0.246 6.104 1.00 0.84 H new ATOM 0 HG23 ILE A 375 -10.870 0.190 5.465 1.00 0.84 H new ATOM 0 HD11 ILE A 375 -10.577 -1.581 1.612 1.00 0.92 H new ATOM 0 HD12 ILE A 375 -12.181 -2.013 2.253 1.00 0.92 H new ATOM 0 HD13 ILE A 375 -11.516 -0.388 2.542 1.00 0.92 H new ATOM 207 N SER A 376 -12.762 -2.996 7.567 1.00 0.79 N ATOM 208 CA SER A 376 -13.688 -2.849 8.686 1.00 0.87 C ATOM 209 C SER A 376 -12.933 -2.661 9.992 1.00 0.96 C ATOM 210 O SER A 376 -13.465 -2.131 10.967 1.00 1.54 O ATOM 211 CB SER A 376 -14.603 -4.066 8.777 1.00 0.95 C ATOM 212 OG SER A 376 -13.856 -5.248 9.012 1.00 1.71 O ATOM 0 H SER A 376 -12.971 -3.780 6.949 1.00 0.79 H new ATOM 0 HA SER A 376 -14.296 -1.961 8.512 1.00 0.87 H new ATOM 0 HB2 SER A 376 -15.326 -3.923 9.580 1.00 0.95 H new ATOM 0 HB3 SER A 376 -15.171 -4.168 7.852 1.00 0.95 H new ATOM 0 HG SER A 376 -14.465 -6.014 9.068 1.00 1.71 H new ATOM 218 N GLU A 377 -11.686 -3.099 9.989 1.00 0.93 N ATOM 219 CA GLU A 377 -10.819 -2.991 11.152 1.00 1.03 C ATOM 220 C GLU A 377 -10.671 -1.539 11.588 1.00 0.87 C ATOM 221 O GLU A 377 -10.797 -1.221 12.770 1.00 0.93 O ATOM 222 CB GLU A 377 -9.445 -3.565 10.819 1.00 1.18 C ATOM 223 CG GLU A 377 -9.496 -4.981 10.279 1.00 1.28 C ATOM 224 CD GLU A 377 -9.718 -6.018 11.364 1.00 1.54 C ATOM 225 OE1 GLU A 377 -9.832 -5.627 12.544 1.00 1.90 O ATOM 226 OE2 GLU A 377 -9.777 -7.222 11.034 1.00 1.92 O ATOM 0 H GLU A 377 -11.245 -3.539 9.181 1.00 0.93 H new ATOM 0 HA GLU A 377 -11.268 -3.554 11.970 1.00 1.03 H new ATOM 0 HB2 GLU A 377 -8.959 -2.922 10.085 1.00 1.18 H new ATOM 0 HB3 GLU A 377 -8.826 -3.549 11.716 1.00 1.18 H new ATOM 0 HG2 GLU A 377 -10.296 -5.055 9.543 1.00 1.28 H new ATOM 0 HG3 GLU A 377 -8.563 -5.200 9.759 1.00 1.28 H new ATOM 233 N ASN A 378 -10.398 -0.669 10.620 1.00 0.71 N ATOM 234 CA ASN A 378 -10.218 0.756 10.886 1.00 0.61 C ATOM 235 C ASN A 378 -10.277 1.573 9.596 1.00 0.58 C ATOM 236 O ASN A 378 -9.379 1.489 8.757 1.00 0.59 O ATOM 237 CB ASN A 378 -8.874 0.998 11.575 1.00 0.62 C ATOM 238 CG ASN A 378 -8.910 0.725 13.063 1.00 1.15 C ATOM 239 OD1 ASN A 378 -8.006 0.095 13.613 1.00 1.16 O ATOM 240 ND2 ASN A 378 -9.938 1.229 13.730 1.00 2.14 N ATOM 0 H ASN A 378 -10.296 -0.927 9.639 1.00 0.71 H new ATOM 0 HA ASN A 378 -11.030 1.076 11.538 1.00 0.61 H new ATOM 0 HB2 ASN A 378 -8.117 0.364 11.114 1.00 0.62 H new ATOM 0 HB3 ASN A 378 -8.568 2.031 11.409 1.00 0.62 H new ATOM 0 HD21 ASN A 378 -10.003 1.102 14.740 1.00 2.14 H new ATOM 0 HD22 ASN A 378 -10.665 1.744 13.234 1.00 2.14 H new ATOM 247 N PRO A 379 -11.337 2.383 9.424 1.00 0.62 N ATOM 248 CA PRO A 379 -11.513 3.223 8.237 1.00 0.65 C ATOM 249 C PRO A 379 -10.581 4.432 8.242 1.00 0.61 C ATOM 250 O PRO A 379 -10.021 4.803 7.209 1.00 0.62 O ATOM 251 CB PRO A 379 -12.975 3.691 8.334 1.00 0.77 C ATOM 252 CG PRO A 379 -13.583 2.899 9.446 1.00 0.85 C ATOM 253 CD PRO A 379 -12.451 2.547 10.362 1.00 0.75 C ATOM 0 HA PRO A 379 -11.284 2.677 7.322 1.00 0.65 H new ATOM 0 HB2 PRO A 379 -13.031 4.760 8.539 1.00 0.77 H new ATOM 0 HB3 PRO A 379 -13.504 3.519 7.397 1.00 0.77 H new ATOM 0 HG2 PRO A 379 -14.343 3.479 9.969 1.00 0.85 H new ATOM 0 HG3 PRO A 379 -14.072 2.002 9.066 1.00 0.85 H new ATOM 0 HD2 PRO A 379 -12.257 3.333 11.091 1.00 0.75 H new ATOM 0 HD3 PRO A 379 -12.649 1.634 10.923 1.00 0.75 H new ATOM 261 N ASP A 380 -10.429 5.046 9.412 1.00 0.62 N ATOM 262 CA ASP A 380 -9.578 6.221 9.566 1.00 0.64 C ATOM 263 C ASP A 380 -8.098 5.850 9.555 1.00 0.55 C ATOM 264 O ASP A 380 -7.259 6.632 9.106 1.00 0.55 O ATOM 265 CB ASP A 380 -9.915 6.956 10.864 1.00 0.75 C ATOM 266 CG ASP A 380 -11.344 7.466 10.887 1.00 0.86 C ATOM 267 OD1 ASP A 380 -12.272 6.635 10.798 1.00 1.20 O ATOM 268 OD2 ASP A 380 -11.533 8.696 10.994 1.00 1.21 O ATOM 0 H ASP A 380 -10.888 4.746 10.272 1.00 0.62 H new ATOM 0 HA ASP A 380 -9.770 6.876 8.717 1.00 0.64 H new ATOM 0 HB2 ASP A 380 -9.758 6.286 11.709 1.00 0.75 H new ATOM 0 HB3 ASP A 380 -9.231 7.795 10.991 1.00 0.75 H new ATOM 273 N LYS A 381 -7.783 4.662 10.068 1.00 0.51 N ATOM 274 CA LYS A 381 -6.401 4.192 10.134 1.00 0.47 C ATOM 275 C LYS A 381 -5.669 4.417 8.815 1.00 0.39 C ATOM 276 O LYS A 381 -6.156 4.042 7.748 1.00 0.37 O ATOM 277 CB LYS A 381 -6.366 2.713 10.498 1.00 0.50 C ATOM 278 CG LYS A 381 -4.963 2.167 10.677 1.00 0.52 C ATOM 279 CD LYS A 381 -4.991 0.729 11.157 1.00 0.59 C ATOM 280 CE LYS A 381 -3.587 0.185 11.351 1.00 0.67 C ATOM 281 NZ LYS A 381 -2.823 0.964 12.365 1.00 1.66 N ATOM 0 H LYS A 381 -8.468 4.006 10.445 1.00 0.51 H new ATOM 0 HA LYS A 381 -5.892 4.769 10.906 1.00 0.47 H new ATOM 0 HB2 LYS A 381 -6.927 2.561 11.420 1.00 0.50 H new ATOM 0 HB3 LYS A 381 -6.872 2.143 9.719 1.00 0.50 H new ATOM 0 HG2 LYS A 381 -4.423 2.227 9.732 1.00 0.52 H new ATOM 0 HG3 LYS A 381 -4.419 2.782 11.394 1.00 0.52 H new ATOM 0 HD2 LYS A 381 -5.540 0.668 12.097 1.00 0.59 H new ATOM 0 HD3 LYS A 381 -5.526 0.112 10.434 1.00 0.59 H new ATOM 0 HE2 LYS A 381 -3.642 -0.858 11.661 1.00 0.67 H new ATOM 0 HE3 LYS A 381 -3.055 0.207 10.400 1.00 0.67 H new ATOM 0 HZ1 LYS A 381 -1.982 0.426 12.654 1.00 1.66 H new ATOM 0 HZ2 LYS A 381 -2.528 1.873 11.955 1.00 1.66 H new ATOM 0 HZ3 LYS A 381 -3.425 1.138 13.195 1.00 1.66 H new ATOM 295 N ILE A 382 -4.493 5.032 8.901 1.00 0.40 N ATOM 296 CA ILE A 382 -3.681 5.315 7.723 1.00 0.35 C ATOM 297 C ILE A 382 -2.764 4.141 7.387 1.00 0.34 C ATOM 298 O ILE A 382 -1.992 3.687 8.233 1.00 0.41 O ATOM 299 CB ILE A 382 -2.819 6.577 7.941 1.00 0.37 C ATOM 300 CG1 ILE A 382 -3.704 7.786 8.256 1.00 0.38 C ATOM 301 CG2 ILE A 382 -1.950 6.851 6.720 1.00 0.41 C ATOM 302 CD1 ILE A 382 -4.669 8.148 7.147 1.00 0.37 C ATOM 0 H ILE A 382 -4.080 5.345 9.779 1.00 0.40 H new ATOM 0 HA ILE A 382 -4.367 5.481 6.892 1.00 0.35 H new ATOM 0 HB ILE A 382 -2.164 6.401 8.794 1.00 0.37 H new ATOM 0 HG12 ILE A 382 -4.271 7.582 9.164 1.00 0.38 H new ATOM 0 HG13 ILE A 382 -3.067 8.645 8.464 1.00 0.38 H new ATOM 0 HG21 ILE A 382 -1.350 7.744 6.893 1.00 0.41 H new ATOM 0 HG22 ILE A 382 -1.292 6.000 6.544 1.00 0.41 H new ATOM 0 HG23 ILE A 382 -2.586 7.005 5.848 1.00 0.41 H new ATOM 0 HD11 ILE A 382 -5.260 9.014 7.447 1.00 0.37 H new ATOM 0 HD12 ILE A 382 -4.110 8.386 6.242 1.00 0.37 H new ATOM 0 HD13 ILE A 382 -5.333 7.306 6.953 1.00 0.37 H new ATOM 314 N TYR A 383 -2.837 3.667 6.147 1.00 0.30 N ATOM 315 CA TYR A 383 -1.993 2.561 5.706 1.00 0.30 C ATOM 316 C TYR A 383 -0.798 3.094 4.921 1.00 0.28 C ATOM 317 O TYR A 383 -0.922 4.069 4.182 1.00 0.25 O ATOM 318 CB TYR A 383 -2.794 1.568 4.853 1.00 0.32 C ATOM 319 CG TYR A 383 -3.927 0.897 5.597 1.00 0.36 C ATOM 320 CD1 TYR A 383 -5.007 1.635 6.065 1.00 0.40 C ATOM 321 CD2 TYR A 383 -3.914 -0.472 5.840 1.00 0.48 C ATOM 322 CE1 TYR A 383 -6.041 1.029 6.753 1.00 0.48 C ATOM 323 CE2 TYR A 383 -4.945 -1.085 6.526 1.00 0.55 C ATOM 324 CZ TYR A 383 -6.016 -0.344 6.952 1.00 0.52 C ATOM 325 OH TYR A 383 -7.034 -0.938 7.664 1.00 0.63 O ATOM 0 H TYR A 383 -3.469 4.029 5.433 1.00 0.30 H new ATOM 0 HA TYR A 383 -1.629 2.033 6.587 1.00 0.30 H new ATOM 0 HB2 TYR A 383 -3.200 2.092 3.988 1.00 0.32 H new ATOM 0 HB3 TYR A 383 -2.118 0.802 4.473 1.00 0.32 H new ATOM 0 HD1 TYR A 383 -5.039 2.700 5.888 1.00 0.40 H new ATOM 0 HD2 TYR A 383 -3.084 -1.066 5.487 1.00 0.48 H new ATOM 0 HE1 TYR A 383 -6.862 1.619 7.133 1.00 0.48 H new ATOM 0 HE2 TYR A 383 -4.907 -2.146 6.726 1.00 0.55 H new ATOM 0 HH TYR A 383 -6.876 -1.904 7.717 1.00 0.63 H new ATOM 335 N PHE A 384 0.360 2.463 5.089 1.00 0.31 N ATOM 336 CA PHE A 384 1.569 2.898 4.393 1.00 0.30 C ATOM 337 C PHE A 384 1.749 2.151 3.077 1.00 0.28 C ATOM 338 O PHE A 384 1.565 0.935 3.009 1.00 0.33 O ATOM 339 CB PHE A 384 2.805 2.705 5.276 1.00 0.40 C ATOM 340 CG PHE A 384 2.710 3.390 6.613 1.00 0.48 C ATOM 341 CD1 PHE A 384 1.920 2.863 7.623 1.00 0.83 C ATOM 342 CD2 PHE A 384 3.420 4.554 6.862 1.00 0.57 C ATOM 343 CE1 PHE A 384 1.838 3.486 8.853 1.00 0.96 C ATOM 344 CE2 PHE A 384 3.342 5.181 8.092 1.00 0.64 C ATOM 345 CZ PHE A 384 2.550 4.646 9.089 1.00 0.74 C ATOM 0 H PHE A 384 0.488 1.654 5.697 1.00 0.31 H new ATOM 0 HA PHE A 384 1.455 3.959 4.173 1.00 0.30 H new ATOM 0 HB2 PHE A 384 2.963 1.638 5.435 1.00 0.40 H new ATOM 0 HB3 PHE A 384 3.680 3.082 4.747 1.00 0.40 H new ATOM 0 HD1 PHE A 384 1.362 1.955 7.446 1.00 0.83 H new ATOM 0 HD2 PHE A 384 4.041 4.976 6.086 1.00 0.57 H new ATOM 0 HE1 PHE A 384 1.217 3.066 9.630 1.00 0.96 H new ATOM 0 HE2 PHE A 384 3.900 6.088 8.273 1.00 0.64 H new ATOM 0 HZ PHE A 384 2.487 5.133 10.051 1.00 0.74 H new ATOM 355 N ILE A 385 2.110 2.889 2.030 1.00 0.26 N ATOM 356 CA ILE A 385 2.317 2.304 0.711 1.00 0.27 C ATOM 357 C ILE A 385 3.772 2.454 0.275 1.00 0.24 C ATOM 358 O ILE A 385 4.336 3.546 0.328 1.00 0.30 O ATOM 359 CB ILE A 385 1.407 2.954 -0.355 1.00 0.33 C ATOM 360 CG1 ILE A 385 -0.072 2.805 0.017 1.00 0.32 C ATOM 361 CG2 ILE A 385 1.671 2.341 -1.723 1.00 0.49 C ATOM 362 CD1 ILE A 385 -0.490 3.639 1.206 1.00 0.32 C ATOM 0 H ILE A 385 2.265 3.896 2.072 1.00 0.26 H new ATOM 0 HA ILE A 385 2.062 1.247 0.792 1.00 0.27 H new ATOM 0 HB ILE A 385 1.641 4.018 -0.394 1.00 0.33 H new ATOM 0 HG12 ILE A 385 -0.683 3.083 -0.842 1.00 0.32 H new ATOM 0 HG13 ILE A 385 -0.279 1.756 0.230 1.00 0.32 H new ATOM 0 HG21 ILE A 385 1.022 2.810 -2.463 1.00 0.49 H new ATOM 0 HG22 ILE A 385 2.713 2.503 -1.999 1.00 0.49 H new ATOM 0 HG23 ILE A 385 1.467 1.271 -1.688 1.00 0.49 H new ATOM 0 HD11 ILE A 385 -1.549 3.480 1.408 1.00 0.32 H new ATOM 0 HD12 ILE A 385 0.093 3.346 2.079 1.00 0.32 H new ATOM 0 HD13 ILE A 385 -0.316 4.693 0.990 1.00 0.32 H new ATOM 374 N ARG A 386 4.374 1.351 -0.156 1.00 0.29 N ATOM 375 CA ARG A 386 5.762 1.360 -0.600 1.00 0.30 C ATOM 376 C ARG A 386 5.829 1.466 -2.123 1.00 0.33 C ATOM 377 O ARG A 386 5.472 0.525 -2.834 1.00 0.42 O ATOM 378 CB ARG A 386 6.460 0.083 -0.116 1.00 0.38 C ATOM 379 CG ARG A 386 7.983 0.145 -0.115 1.00 0.50 C ATOM 380 CD ARG A 386 8.561 0.157 -1.520 1.00 1.02 C ATOM 381 NE ARG A 386 9.891 -0.458 -1.571 1.00 1.40 N ATOM 382 CZ ARG A 386 10.946 -0.026 -0.881 1.00 1.86 C ATOM 383 NH1 ARG A 386 10.862 1.059 -0.122 1.00 2.42 N ATOM 384 NH2 ARG A 386 12.099 -0.675 -0.965 1.00 2.39 N ATOM 0 H ARG A 386 3.921 0.438 -0.207 1.00 0.29 H new ATOM 0 HA ARG A 386 6.272 2.225 -0.177 1.00 0.30 H new ATOM 0 HB2 ARG A 386 6.119 -0.139 0.895 1.00 0.38 H new ATOM 0 HB3 ARG A 386 6.145 -0.748 -0.748 1.00 0.38 H new ATOM 0 HG2 ARG A 386 8.308 1.040 0.417 1.00 0.50 H new ATOM 0 HG3 ARG A 386 8.379 -0.711 0.431 1.00 0.50 H new ATOM 0 HD2 ARG A 386 7.889 -0.375 -2.193 1.00 1.02 H new ATOM 0 HD3 ARG A 386 8.623 1.185 -1.878 1.00 1.02 H new ATOM 0 HE ARG A 386 10.017 -1.270 -2.175 1.00 1.40 H new ATOM 0 HH11 ARG A 386 9.983 1.573 -0.062 1.00 2.42 H new ATOM 0 HH12 ARG A 386 11.677 1.380 0.401 1.00 2.42 H new ATOM 0 HH21 ARG A 386 12.177 -1.502 -1.557 1.00 2.39 H new ATOM 0 HH22 ARG A 386 12.908 -0.347 -0.438 1.00 2.39 H new ATOM 398 N ARG A 387 6.285 2.614 -2.619 1.00 0.41 N ATOM 399 CA ARG A 387 6.394 2.832 -4.059 1.00 0.51 C ATOM 400 C ARG A 387 7.623 2.130 -4.626 1.00 0.49 C ATOM 401 O ARG A 387 8.557 1.815 -3.893 1.00 0.47 O ATOM 402 CB ARG A 387 6.445 4.328 -4.374 1.00 0.63 C ATOM 403 CG ARG A 387 5.217 5.088 -3.899 1.00 0.84 C ATOM 404 CD ARG A 387 5.251 6.539 -4.349 1.00 0.94 C ATOM 405 NE ARG A 387 5.221 6.662 -5.804 1.00 1.32 N ATOM 406 CZ ARG A 387 5.234 7.827 -6.447 1.00 1.79 C ATOM 407 NH1 ARG A 387 5.283 8.964 -5.766 1.00 2.30 N ATOM 408 NH2 ARG A 387 5.197 7.854 -7.772 1.00 2.25 N ATOM 0 H ARG A 387 6.584 3.404 -2.048 1.00 0.41 H new ATOM 0 HA ARG A 387 5.509 2.406 -4.531 1.00 0.51 H new ATOM 0 HB2 ARG A 387 7.332 4.759 -3.910 1.00 0.63 H new ATOM 0 HB3 ARG A 387 6.552 4.462 -5.451 1.00 0.63 H new ATOM 0 HG2 ARG A 387 4.318 4.607 -4.285 1.00 0.84 H new ATOM 0 HG3 ARG A 387 5.159 5.045 -2.811 1.00 0.84 H new ATOM 0 HD2 ARG A 387 4.400 7.071 -3.923 1.00 0.94 H new ATOM 0 HD3 ARG A 387 6.151 7.017 -3.963 1.00 0.94 H new ATOM 0 HE ARG A 387 5.188 5.807 -6.359 1.00 1.32 H new ATOM 0 HH11 ARG A 387 5.311 8.947 -4.747 1.00 2.30 H new ATOM 0 HH12 ARG A 387 5.293 9.855 -6.262 1.00 2.30 H new ATOM 0 HH21 ARG A 387 5.159 6.982 -8.299 1.00 2.25 H new ATOM 0 HH22 ARG A 387 5.207 8.747 -8.264 1.00 2.25 H new ATOM 422 N GLU A 388 7.612 1.877 -5.932 1.00 0.64 N ATOM 423 CA GLU A 388 8.726 1.201 -6.594 1.00 0.69 C ATOM 424 C GLU A 388 10.050 1.909 -6.321 1.00 0.61 C ATOM 425 O GLU A 388 11.068 1.261 -6.077 1.00 0.63 O ATOM 426 CB GLU A 388 8.481 1.120 -8.102 1.00 0.88 C ATOM 427 CG GLU A 388 7.231 0.339 -8.475 1.00 1.58 C ATOM 428 CD GLU A 388 7.011 0.276 -9.974 1.00 2.20 C ATOM 429 OE1 GLU A 388 7.894 -0.251 -10.682 1.00 2.82 O ATOM 430 OE2 GLU A 388 5.955 0.753 -10.439 1.00 2.65 O ATOM 0 H GLU A 388 6.844 2.130 -6.554 1.00 0.64 H new ATOM 0 HA GLU A 388 8.789 0.192 -6.185 1.00 0.69 H new ATOM 0 HB2 GLU A 388 8.401 2.130 -8.503 1.00 0.88 H new ATOM 0 HB3 GLU A 388 9.345 0.655 -8.577 1.00 0.88 H new ATOM 0 HG2 GLU A 388 7.308 -0.674 -8.080 1.00 1.58 H new ATOM 0 HG3 GLU A 388 6.364 0.801 -8.003 1.00 1.58 H new ATOM 437 N ASP A 389 10.033 3.240 -6.358 1.00 0.65 N ATOM 438 CA ASP A 389 11.238 4.026 -6.109 1.00 0.69 C ATOM 439 C ASP A 389 11.782 3.755 -4.708 1.00 0.64 C ATOM 440 O ASP A 389 12.888 4.173 -4.367 1.00 0.91 O ATOM 441 CB ASP A 389 10.949 5.521 -6.281 1.00 0.81 C ATOM 442 CG ASP A 389 9.869 6.019 -5.339 1.00 0.80 C ATOM 443 OD1 ASP A 389 9.335 5.199 -4.562 1.00 1.06 O ATOM 444 OD2 ASP A 389 9.558 7.228 -5.376 1.00 1.23 O ATOM 0 H ASP A 389 9.201 3.795 -6.557 1.00 0.65 H new ATOM 0 HA ASP A 389 11.992 3.728 -6.837 1.00 0.69 H new ATOM 0 HB2 ASP A 389 11.865 6.086 -6.109 1.00 0.81 H new ATOM 0 HB3 ASP A 389 10.645 5.712 -7.310 1.00 0.81 H new ATOM 449 N GLY A 390 10.991 3.051 -3.903 1.00 0.55 N ATOM 450 CA GLY A 390 11.391 2.728 -2.549 1.00 0.53 C ATOM 451 C GLY A 390 11.093 3.850 -1.575 1.00 0.55 C ATOM 452 O GLY A 390 11.855 4.087 -0.638 1.00 1.03 O ATOM 0 H GLY A 390 10.072 2.697 -4.170 1.00 0.55 H new ATOM 0 HA2 GLY A 390 10.875 1.824 -2.226 1.00 0.53 H new ATOM 0 HA3 GLY A 390 12.459 2.509 -2.531 1.00 0.53 H new ATOM 456 N THR A 391 9.977 4.536 -1.797 1.00 0.57 N ATOM 457 CA THR A 391 9.571 5.634 -0.930 1.00 0.54 C ATOM 458 C THR A 391 8.201 5.372 -0.316 1.00 0.41 C ATOM 459 O THR A 391 7.187 5.365 -1.017 1.00 0.44 O ATOM 460 CB THR A 391 9.534 6.974 -1.689 1.00 0.71 C ATOM 461 OG1 THR A 391 8.574 6.915 -2.748 1.00 0.98 O ATOM 462 CG2 THR A 391 10.905 7.303 -2.257 1.00 0.88 C ATOM 0 H THR A 391 9.338 4.350 -2.570 1.00 0.57 H new ATOM 0 HA THR A 391 10.316 5.699 -0.137 1.00 0.54 H new ATOM 0 HB THR A 391 9.246 7.758 -0.988 1.00 0.71 H new ATOM 0 HG1 THR A 391 8.716 6.100 -3.274 1.00 0.98 H new ATOM 0 HG21 THR A 391 10.860 8.253 -2.790 1.00 0.88 H new ATOM 0 HG22 THR A 391 11.627 7.377 -1.444 1.00 0.88 H new ATOM 0 HG23 THR A 391 11.212 6.515 -2.945 1.00 0.88 H new ATOM 470 N VAL A 392 8.177 5.155 0.994 1.00 0.37 N ATOM 471 CA VAL A 392 6.930 4.899 1.700 1.00 0.33 C ATOM 472 C VAL A 392 6.117 6.181 1.831 1.00 0.32 C ATOM 473 O VAL A 392 6.652 7.231 2.187 1.00 0.41 O ATOM 474 CB VAL A 392 7.184 4.315 3.102 1.00 0.45 C ATOM 475 CG1 VAL A 392 5.868 4.007 3.803 1.00 0.55 C ATOM 476 CG2 VAL A 392 8.049 3.069 3.007 1.00 0.52 C ATOM 0 H VAL A 392 9.007 5.151 1.587 1.00 0.37 H new ATOM 0 HA VAL A 392 6.371 4.169 1.115 1.00 0.33 H new ATOM 0 HB VAL A 392 7.716 5.059 3.695 1.00 0.45 H new ATOM 0 HG11 VAL A 392 6.070 3.595 4.792 1.00 0.55 H new ATOM 0 HG12 VAL A 392 5.286 4.923 3.903 1.00 0.55 H new ATOM 0 HG13 VAL A 392 5.304 3.282 3.216 1.00 0.55 H new ATOM 0 HG21 VAL A 392 8.220 2.668 4.006 1.00 0.52 H new ATOM 0 HG22 VAL A 392 7.543 2.321 2.397 1.00 0.52 H new ATOM 0 HG23 VAL A 392 9.005 3.324 2.550 1.00 0.52 H new ATOM 486 N HIS A 393 4.826 6.092 1.544 1.00 0.29 N ATOM 487 CA HIS A 393 3.944 7.248 1.630 1.00 0.31 C ATOM 488 C HIS A 393 2.576 6.844 2.158 1.00 0.27 C ATOM 489 O HIS A 393 2.013 5.831 1.746 1.00 0.26 O ATOM 490 CB HIS A 393 3.799 7.915 0.261 1.00 0.37 C ATOM 491 CG HIS A 393 5.070 8.520 -0.250 1.00 0.92 C ATOM 492 ND1 HIS A 393 5.730 9.543 0.400 1.00 1.92 N ATOM 493 CD2 HIS A 393 5.805 8.243 -1.353 1.00 0.94 C ATOM 494 CE1 HIS A 393 6.813 9.868 -0.282 1.00 2.43 C ATOM 495 NE2 HIS A 393 6.882 9.094 -1.349 1.00 1.82 N ATOM 0 H HIS A 393 4.366 5.231 1.249 1.00 0.29 H new ATOM 0 HA HIS A 393 4.389 7.961 2.324 1.00 0.31 H new ATOM 0 HB2 HIS A 393 3.444 7.176 -0.458 1.00 0.37 H new ATOM 0 HB3 HIS A 393 3.037 8.691 0.324 1.00 0.37 H new ATOM 0 HD2 HIS A 393 5.585 7.492 -2.097 1.00 0.94 H new ATOM 0 HE1 HIS A 393 7.522 10.637 -0.012 1.00 2.43 H new ATOM 0 HE2 HIS A 393 7.617 9.123 -2.056 1.00 1.82 H new ATOM 504 N ARG A 394 2.049 7.644 3.078 1.00 0.29 N ATOM 505 CA ARG A 394 0.748 7.375 3.674 1.00 0.28 C ATOM 506 C ARG A 394 -0.336 7.267 2.610 1.00 0.26 C ATOM 507 O ARG A 394 -0.287 7.941 1.583 1.00 0.32 O ATOM 508 CB ARG A 394 0.390 8.471 4.676 1.00 0.35 C ATOM 509 CG ARG A 394 1.357 8.559 5.841 1.00 0.42 C ATOM 510 CD ARG A 394 0.951 9.650 6.816 1.00 0.52 C ATOM 511 NE ARG A 394 0.915 10.969 6.182 1.00 1.34 N ATOM 512 CZ ARG A 394 1.978 11.561 5.644 1.00 2.01 C ATOM 513 NH1 ARG A 394 3.164 10.968 5.676 1.00 2.41 N ATOM 514 NH2 ARG A 394 1.856 12.752 5.073 1.00 2.96 N ATOM 0 H ARG A 394 2.505 8.487 3.427 1.00 0.29 H new ATOM 0 HA ARG A 394 0.809 6.419 4.194 1.00 0.28 H new ATOM 0 HB2 ARG A 394 0.365 9.431 4.160 1.00 0.35 H new ATOM 0 HB3 ARG A 394 -0.614 8.289 5.059 1.00 0.35 H new ATOM 0 HG2 ARG A 394 1.393 7.601 6.359 1.00 0.42 H new ATOM 0 HG3 ARG A 394 2.362 8.758 5.468 1.00 0.42 H new ATOM 0 HD2 ARG A 394 -0.031 9.420 7.229 1.00 0.52 H new ATOM 0 HD3 ARG A 394 1.651 9.669 7.651 1.00 0.52 H new ATOM 0 HE ARG A 394 0.023 11.463 6.151 1.00 1.34 H new ATOM 0 HH11 ARG A 394 3.265 10.053 6.115 1.00 2.41 H new ATOM 0 HH12 ARG A 394 3.975 11.427 5.262 1.00 2.41 H new ATOM 0 HH21 ARG A 394 0.947 13.214 5.046 1.00 2.96 H new ATOM 0 HH22 ARG A 394 2.671 13.206 4.661 1.00 2.96 H new ATOM 528 N GLY A 395 -1.313 6.406 2.871 1.00 0.23 N ATOM 529 CA GLY A 395 -2.403 6.206 1.939 1.00 0.25 C ATOM 530 C GLY A 395 -3.578 5.496 2.581 1.00 0.23 C ATOM 531 O GLY A 395 -3.408 4.461 3.226 1.00 0.26 O ATOM 0 H GLY A 395 -1.368 5.840 3.718 1.00 0.23 H new ATOM 0 HA2 GLY A 395 -2.730 7.171 1.552 1.00 0.25 H new ATOM 0 HA3 GLY A 395 -2.050 5.624 1.088 1.00 0.25 H new ATOM 535 N GLN A 396 -4.770 6.055 2.413 1.00 0.29 N ATOM 536 CA GLN A 396 -5.972 5.468 2.989 1.00 0.34 C ATOM 537 C GLN A 396 -6.601 4.449 2.044 1.00 0.35 C ATOM 538 O GLN A 396 -7.243 4.816 1.060 1.00 0.46 O ATOM 539 CB GLN A 396 -6.986 6.567 3.318 1.00 0.43 C ATOM 540 CG GLN A 396 -6.445 7.625 4.265 1.00 0.50 C ATOM 541 CD GLN A 396 -7.453 8.712 4.567 1.00 0.64 C ATOM 542 OE1 GLN A 396 -8.050 9.296 3.663 1.00 1.28 O ATOM 543 NE2 GLN A 396 -7.625 9.001 5.846 1.00 0.61 N ATOM 0 H GLN A 396 -4.929 6.912 1.884 1.00 0.29 H new ATOM 0 HA GLN A 396 -5.687 4.950 3.905 1.00 0.34 H new ATOM 0 HB2 GLN A 396 -7.303 7.047 2.392 1.00 0.43 H new ATOM 0 HB3 GLN A 396 -7.872 6.112 3.761 1.00 0.43 H new ATOM 0 HG2 GLN A 396 -6.140 7.150 5.197 1.00 0.50 H new ATOM 0 HG3 GLN A 396 -5.553 8.074 3.829 1.00 0.50 H new ATOM 0 HE21 GLN A 396 -7.106 8.488 6.559 1.00 0.61 H new ATOM 0 HE22 GLN A 396 -8.276 9.737 6.119 1.00 0.61 H new ATOM 552 N VAL A 397 -6.434 3.167 2.361 1.00 0.33 N ATOM 553 CA VAL A 397 -7.010 2.102 1.549 1.00 0.33 C ATOM 554 C VAL A 397 -8.529 2.077 1.722 1.00 0.33 C ATOM 555 O VAL A 397 -9.036 2.110 2.844 1.00 0.37 O ATOM 556 CB VAL A 397 -6.375 0.727 1.894 1.00 0.38 C ATOM 557 CG1 VAL A 397 -7.396 -0.252 2.451 1.00 0.73 C ATOM 558 CG2 VAL A 397 -5.697 0.138 0.670 1.00 0.83 C ATOM 0 H VAL A 397 -5.906 2.843 3.172 1.00 0.33 H new ATOM 0 HA VAL A 397 -6.787 2.303 0.501 1.00 0.33 H new ATOM 0 HB VAL A 397 -5.631 0.899 2.671 1.00 0.38 H new ATOM 0 HG11 VAL A 397 -6.906 -1.199 2.677 1.00 0.73 H new ATOM 0 HG12 VAL A 397 -7.833 0.157 3.362 1.00 0.73 H new ATOM 0 HG13 VAL A 397 -8.182 -0.417 1.714 1.00 0.73 H new ATOM 0 HG21 VAL A 397 -5.256 -0.825 0.926 1.00 0.83 H new ATOM 0 HG22 VAL A 397 -6.432 0.001 -0.123 1.00 0.83 H new ATOM 0 HG23 VAL A 397 -4.915 0.815 0.326 1.00 0.83 H new ATOM 568 N LEU A 398 -9.253 2.062 0.603 1.00 0.36 N ATOM 569 CA LEU A 398 -10.712 2.079 0.643 1.00 0.40 C ATOM 570 C LEU A 398 -11.334 0.864 -0.041 1.00 0.41 C ATOM 571 O LEU A 398 -12.391 0.390 0.374 1.00 0.47 O ATOM 572 CB LEU A 398 -11.235 3.361 -0.011 1.00 0.46 C ATOM 573 CG LEU A 398 -10.715 4.663 0.601 1.00 0.49 C ATOM 574 CD1 LEU A 398 -11.239 5.862 -0.176 1.00 1.16 C ATOM 575 CD2 LEU A 398 -11.112 4.762 2.067 1.00 1.45 C ATOM 0 H LEU A 398 -8.855 2.038 -0.336 1.00 0.36 H new ATOM 0 HA LEU A 398 -11.003 2.044 1.693 1.00 0.40 H new ATOM 0 HB2 LEU A 398 -10.971 3.344 -1.068 1.00 0.46 H new ATOM 0 HB3 LEU A 398 -12.324 3.361 0.046 1.00 0.46 H new ATOM 0 HG LEU A 398 -9.627 4.661 0.540 1.00 0.49 H new ATOM 0 HD11 LEU A 398 -10.860 6.780 0.272 1.00 1.16 H new ATOM 0 HD12 LEU A 398 -10.905 5.799 -1.212 1.00 1.16 H new ATOM 0 HD13 LEU A 398 -12.329 5.867 -0.146 1.00 1.16 H new ATOM 0 HD21 LEU A 398 -10.733 5.695 2.484 1.00 1.45 H new ATOM 0 HD22 LEU A 398 -12.198 4.741 2.152 1.00 1.45 H new ATOM 0 HD23 LEU A 398 -10.689 3.921 2.616 1.00 1.45 H new ATOM 587 N GLN A 399 -10.700 0.376 -1.104 1.00 0.39 N ATOM 588 CA GLN A 399 -11.238 -0.766 -1.842 1.00 0.43 C ATOM 589 C GLN A 399 -10.192 -1.858 -2.043 1.00 0.38 C ATOM 590 O GLN A 399 -9.029 -1.696 -1.680 1.00 0.35 O ATOM 591 CB GLN A 399 -11.768 -0.310 -3.202 1.00 0.49 C ATOM 592 CG GLN A 399 -12.805 0.799 -3.111 1.00 0.60 C ATOM 593 CD GLN A 399 -13.290 1.256 -4.473 1.00 1.36 C ATOM 594 OE1 GLN A 399 -12.509 1.740 -5.293 1.00 2.08 O ATOM 595 NE2 GLN A 399 -14.585 1.107 -4.720 1.00 2.04 N ATOM 0 H GLN A 399 -9.824 0.747 -1.471 1.00 0.39 H new ATOM 0 HA GLN A 399 -12.051 -1.184 -1.248 1.00 0.43 H new ATOM 0 HB2 GLN A 399 -10.932 0.035 -3.811 1.00 0.49 H new ATOM 0 HB3 GLN A 399 -12.207 -1.165 -3.717 1.00 0.49 H new ATOM 0 HG2 GLN A 399 -13.655 0.449 -2.525 1.00 0.60 H new ATOM 0 HG3 GLN A 399 -12.378 1.648 -2.578 1.00 0.60 H new ATOM 0 HE21 GLN A 399 -15.196 0.701 -4.011 1.00 2.04 H new ATOM 0 HE22 GLN A 399 -14.970 1.398 -5.619 1.00 2.04 H new ATOM 604 N SER A 400 -10.629 -2.974 -2.625 1.00 0.42 N ATOM 605 CA SER A 400 -9.747 -4.106 -2.886 1.00 0.41 C ATOM 606 C SER A 400 -10.411 -5.097 -3.843 1.00 0.47 C ATOM 607 O SER A 400 -11.634 -5.243 -3.843 1.00 0.54 O ATOM 608 CB SER A 400 -9.373 -4.807 -1.581 1.00 0.47 C ATOM 609 OG SER A 400 -10.512 -5.380 -0.962 1.00 0.56 O ATOM 0 H SER A 400 -11.593 -3.117 -2.925 1.00 0.42 H new ATOM 0 HA SER A 400 -8.838 -3.727 -3.352 1.00 0.41 H new ATOM 0 HB2 SER A 400 -8.635 -5.584 -1.781 1.00 0.47 H new ATOM 0 HB3 SER A 400 -8.908 -4.093 -0.902 1.00 0.47 H new ATOM 0 HG SER A 400 -10.244 -5.823 -0.130 1.00 0.56 H new ATOM 615 N ARG A 401 -9.605 -5.776 -4.655 1.00 0.51 N ATOM 616 CA ARG A 401 -10.130 -6.748 -5.611 1.00 0.60 C ATOM 617 C ARG A 401 -9.068 -7.783 -5.976 1.00 0.73 C ATOM 618 O ARG A 401 -7.925 -7.437 -6.258 1.00 0.86 O ATOM 619 CB ARG A 401 -10.603 -6.038 -6.885 1.00 0.65 C ATOM 620 CG ARG A 401 -9.462 -5.545 -7.765 1.00 0.72 C ATOM 621 CD ARG A 401 -9.967 -4.849 -9.017 1.00 0.91 C ATOM 622 NE ARG A 401 -8.872 -4.505 -9.918 1.00 1.02 N ATOM 623 CZ ARG A 401 -9.035 -3.899 -11.089 1.00 1.25 C ATOM 624 NH1 ARG A 401 -10.247 -3.551 -11.499 1.00 1.55 N ATOM 625 NH2 ARG A 401 -7.982 -3.639 -11.851 1.00 1.43 N ATOM 0 H ARG A 401 -8.590 -5.672 -4.671 1.00 0.51 H new ATOM 0 HA ARG A 401 -10.972 -7.257 -5.142 1.00 0.60 H new ATOM 0 HB2 ARG A 401 -11.227 -6.721 -7.462 1.00 0.65 H new ATOM 0 HB3 ARG A 401 -11.230 -5.190 -6.608 1.00 0.65 H new ATOM 0 HG2 ARG A 401 -8.836 -4.858 -7.196 1.00 0.72 H new ATOM 0 HG3 ARG A 401 -8.833 -6.389 -8.048 1.00 0.72 H new ATOM 0 HD2 ARG A 401 -10.675 -5.497 -9.534 1.00 0.91 H new ATOM 0 HD3 ARG A 401 -10.508 -3.945 -8.738 1.00 0.91 H new ATOM 0 HE ARG A 401 -7.923 -4.745 -9.631 1.00 1.02 H new ATOM 0 HH11 ARG A 401 -11.059 -3.748 -10.915 1.00 1.55 H new ATOM 0 HH12 ARG A 401 -10.367 -3.086 -12.399 1.00 1.55 H new ATOM 0 HH21 ARG A 401 -7.048 -3.904 -11.538 1.00 1.43 H new ATOM 0 HH22 ARG A 401 -8.106 -3.174 -12.750 1.00 1.43 H new ATOM 639 N THR A 402 -9.455 -9.053 -5.986 1.00 0.82 N ATOM 640 CA THR A 402 -8.530 -10.123 -6.335 1.00 0.99 C ATOM 641 C THR A 402 -8.231 -10.106 -7.837 1.00 1.16 C ATOM 642 O THR A 402 -7.936 -9.051 -8.398 1.00 1.79 O ATOM 643 CB THR A 402 -9.079 -11.499 -5.904 1.00 1.14 C ATOM 644 OG1 THR A 402 -10.361 -11.733 -6.499 1.00 1.38 O ATOM 645 CG2 THR A 402 -9.187 -11.577 -4.390 1.00 1.29 C ATOM 0 H THR A 402 -10.399 -9.366 -5.758 1.00 0.82 H new ATOM 0 HA THR A 402 -7.599 -9.952 -5.795 1.00 0.99 H new ATOM 0 HB THR A 402 -8.386 -12.268 -6.246 1.00 1.14 H new ATOM 0 HG1 THR A 402 -10.697 -12.610 -6.219 1.00 1.38 H new ATOM 0 HG21 THR A 402 -9.576 -12.554 -4.103 1.00 1.29 H new ATOM 0 HG22 THR A 402 -8.201 -11.434 -3.947 1.00 1.29 H new ATOM 0 HG23 THR A 402 -9.861 -10.799 -4.033 1.00 1.29 H new ATOM 653 N THR A 403 -8.302 -11.265 -8.490 1.00 1.43 N ATOM 654 CA THR A 403 -8.030 -11.355 -9.918 1.00 1.62 C ATOM 655 C THR A 403 -8.587 -12.667 -10.471 1.00 1.84 C ATOM 656 O THR A 403 -9.270 -13.399 -9.755 1.00 1.85 O ATOM 657 CB THR A 403 -6.514 -11.277 -10.207 1.00 1.77 C ATOM 658 OG1 THR A 403 -5.874 -10.415 -9.258 1.00 1.78 O ATOM 659 CG2 THR A 403 -6.249 -10.744 -11.608 1.00 1.95 C ATOM 0 H THR A 403 -8.546 -12.153 -8.050 1.00 1.43 H new ATOM 0 HA THR A 403 -8.517 -10.511 -10.407 1.00 1.62 H new ATOM 0 HB THR A 403 -6.110 -12.286 -10.127 1.00 1.77 H new ATOM 0 HG1 THR A 403 -6.423 -9.615 -9.120 1.00 1.78 H new ATOM 0 HG21 THR A 403 -5.174 -10.700 -11.783 1.00 1.95 H new ATOM 0 HG22 THR A 403 -6.710 -11.405 -12.342 1.00 1.95 H new ATOM 0 HG23 THR A 403 -6.673 -9.745 -11.703 1.00 1.95 H new ATOM 667 N GLU A 404 -8.302 -12.956 -11.739 1.00 2.08 N ATOM 668 CA GLU A 404 -8.781 -14.179 -12.377 1.00 2.34 C ATOM 669 C GLU A 404 -8.598 -15.387 -11.461 1.00 2.30 C ATOM 670 O GLU A 404 -9.456 -16.267 -11.401 1.00 2.37 O ATOM 671 CB GLU A 404 -8.044 -14.412 -13.698 1.00 2.72 C ATOM 672 CG GLU A 404 -8.270 -13.316 -14.727 1.00 2.91 C ATOM 673 CD GLU A 404 -9.729 -13.175 -15.118 1.00 3.42 C ATOM 674 OE1 GLU A 404 -10.305 -14.160 -15.623 1.00 3.79 O ATOM 675 OE2 GLU A 404 -10.293 -12.078 -14.919 1.00 3.87 O ATOM 0 H GLU A 404 -7.741 -12.358 -12.345 1.00 2.08 H new ATOM 0 HA GLU A 404 -9.846 -14.058 -12.576 1.00 2.34 H new ATOM 0 HB2 GLU A 404 -6.976 -14.495 -13.498 1.00 2.72 H new ATOM 0 HB3 GLU A 404 -8.364 -15.365 -14.119 1.00 2.72 H new ATOM 0 HG2 GLU A 404 -7.912 -12.368 -14.327 1.00 2.91 H new ATOM 0 HG3 GLU A 404 -7.678 -13.531 -15.617 1.00 2.91 H new ATOM 682 N ASN A 405 -7.478 -15.418 -10.746 1.00 2.26 N ATOM 683 CA ASN A 405 -7.186 -16.515 -9.829 1.00 2.30 C ATOM 684 C ASN A 405 -8.184 -16.533 -8.672 1.00 2.07 C ATOM 685 O ASN A 405 -8.818 -17.554 -8.402 1.00 2.40 O ATOM 686 CB ASN A 405 -5.758 -16.386 -9.292 1.00 2.43 C ATOM 687 CG ASN A 405 -5.365 -17.546 -8.398 1.00 2.67 C ATOM 688 OD1 ASN A 405 -5.984 -17.785 -7.362 1.00 3.16 O ATOM 689 ND2 ASN A 405 -4.329 -18.274 -8.795 1.00 2.73 N ATOM 0 H ASN A 405 -6.758 -14.697 -10.784 1.00 2.26 H new ATOM 0 HA ASN A 405 -7.277 -17.454 -10.375 1.00 2.30 H new ATOM 0 HB2 ASN A 405 -5.063 -16.326 -10.129 1.00 2.43 H new ATOM 0 HB3 ASN A 405 -5.666 -15.454 -8.734 1.00 2.43 H new ATOM 0 HD21 ASN A 405 -4.018 -19.067 -8.234 1.00 2.73 H new ATOM 0 HD22 ASN A 405 -3.844 -18.041 -9.661 1.00 2.73 H new ATOM 696 N ALA A 406 -8.325 -15.391 -7.999 1.00 1.82 N ATOM 697 CA ALA A 406 -9.253 -15.261 -6.878 1.00 1.67 C ATOM 698 C ALA A 406 -9.000 -16.318 -5.803 1.00 1.85 C ATOM 699 O ALA A 406 -9.869 -17.141 -5.510 1.00 2.18 O ATOM 700 CB ALA A 406 -10.691 -15.334 -7.371 1.00 1.72 C ATOM 0 H ALA A 406 -7.805 -14.540 -8.213 1.00 1.82 H new ATOM 0 HA ALA A 406 -9.083 -14.286 -6.421 1.00 1.67 H new ATOM 0 HB1 ALA A 406 -11.371 -15.236 -6.525 1.00 1.72 H new ATOM 0 HB2 ALA A 406 -10.874 -14.526 -8.080 1.00 1.72 H new ATOM 0 HB3 ALA A 406 -10.859 -16.292 -7.862 1.00 1.72 H new ATOM 706 N ALA A 407 -7.810 -16.282 -5.214 1.00 1.91 N ATOM 707 CA ALA A 407 -7.439 -17.228 -4.166 1.00 2.19 C ATOM 708 C ALA A 407 -6.199 -16.748 -3.421 1.00 2.37 C ATOM 709 O ALA A 407 -5.692 -17.429 -2.529 1.00 2.77 O ATOM 710 CB ALA A 407 -7.199 -18.607 -4.757 1.00 2.38 C ATOM 0 H ALA A 407 -7.083 -15.605 -5.445 1.00 1.91 H new ATOM 0 HA ALA A 407 -8.263 -17.292 -3.456 1.00 2.19 H new ATOM 0 HB1 ALA A 407 -6.923 -19.300 -3.962 1.00 2.38 H new ATOM 0 HB2 ALA A 407 -8.109 -18.957 -5.245 1.00 2.38 H new ATOM 0 HB3 ALA A 407 -6.393 -18.554 -5.488 1.00 2.38 H new ATOM 716 N ALA A 408 -5.725 -15.566 -3.800 1.00 2.15 N ATOM 717 CA ALA A 408 -4.546 -14.966 -3.185 1.00 2.35 C ATOM 718 C ALA A 408 -4.294 -13.563 -3.744 1.00 2.05 C ATOM 719 O ALA A 408 -4.120 -12.613 -2.981 1.00 1.99 O ATOM 720 CB ALA A 408 -3.323 -15.850 -3.385 1.00 2.76 C ATOM 0 H ALA A 408 -6.144 -15.000 -4.538 1.00 2.15 H new ATOM 0 HA ALA A 408 -4.732 -14.878 -2.115 1.00 2.35 H new ATOM 0 HB1 ALA A 408 -2.456 -15.383 -2.918 1.00 2.76 H new ATOM 0 HB2 ALA A 408 -3.500 -16.824 -2.929 1.00 2.76 H new ATOM 0 HB3 ALA A 408 -3.136 -15.977 -4.451 1.00 2.76 H new ATOM 726 N PRO A 409 -4.280 -13.404 -5.086 1.00 1.99 N ATOM 727 CA PRO A 409 -4.058 -12.100 -5.719 1.00 1.80 C ATOM 728 C PRO A 409 -5.134 -11.099 -5.352 1.00 1.41 C ATOM 729 O PRO A 409 -6.296 -11.463 -5.220 1.00 1.86 O ATOM 730 CB PRO A 409 -4.092 -12.403 -7.223 1.00 2.10 C ATOM 731 CG PRO A 409 -3.877 -13.873 -7.329 1.00 2.49 C ATOM 732 CD PRO A 409 -4.482 -14.464 -6.090 1.00 2.27 C ATOM 0 HA PRO A 409 -3.121 -11.648 -5.394 1.00 1.80 H new ATOM 0 HB2 PRO A 409 -5.046 -12.112 -7.662 1.00 2.10 H new ATOM 0 HB3 PRO A 409 -3.315 -11.852 -7.754 1.00 2.10 H new ATOM 0 HG2 PRO A 409 -4.351 -14.274 -8.225 1.00 2.49 H new ATOM 0 HG3 PRO A 409 -2.815 -14.109 -7.397 1.00 2.49 H new ATOM 0 HD2 PRO A 409 -5.539 -14.695 -6.227 1.00 2.27 H new ATOM 0 HD3 PRO A 409 -3.988 -15.392 -5.802 1.00 2.27 H new ATOM 740 N ASP A 410 -4.736 -9.839 -5.179 1.00 0.92 N ATOM 741 CA ASP A 410 -5.677 -8.785 -4.818 1.00 0.79 C ATOM 742 C ASP A 410 -4.991 -7.426 -4.679 1.00 0.68 C ATOM 743 O ASP A 410 -3.969 -7.293 -4.007 1.00 0.93 O ATOM 744 CB ASP A 410 -6.404 -9.140 -3.518 1.00 1.18 C ATOM 745 CG ASP A 410 -5.466 -9.674 -2.451 1.00 1.62 C ATOM 746 OD1 ASP A 410 -4.469 -8.987 -2.141 1.00 2.14 O ATOM 747 OD2 ASP A 410 -5.721 -10.778 -1.928 1.00 1.99 O ATOM 0 H ASP A 410 -3.771 -9.526 -5.283 1.00 0.92 H new ATOM 0 HA ASP A 410 -6.402 -8.708 -5.628 1.00 0.79 H new ATOM 0 HB2 ASP A 410 -6.914 -8.255 -3.138 1.00 1.18 H new ATOM 0 HB3 ASP A 410 -7.172 -9.885 -3.727 1.00 1.18 H new ATOM 752 N GLU A 411 -5.587 -6.416 -5.308 1.00 0.54 N ATOM 753 CA GLU A 411 -5.078 -5.051 -5.257 1.00 0.45 C ATOM 754 C GLU A 411 -6.017 -4.195 -4.419 1.00 0.40 C ATOM 755 O GLU A 411 -7.235 -4.294 -4.552 1.00 0.42 O ATOM 756 CB GLU A 411 -4.954 -4.459 -6.663 1.00 0.49 C ATOM 757 CG GLU A 411 -3.945 -5.170 -7.552 1.00 0.58 C ATOM 758 CD GLU A 411 -4.411 -6.540 -8.013 1.00 1.47 C ATOM 759 OE1 GLU A 411 -5.589 -6.875 -7.770 1.00 2.10 O ATOM 760 OE2 GLU A 411 -3.596 -7.284 -8.598 1.00 2.08 O ATOM 0 H GLU A 411 -6.434 -6.522 -5.866 1.00 0.54 H new ATOM 0 HA GLU A 411 -4.086 -5.065 -4.805 1.00 0.45 H new ATOM 0 HB2 GLU A 411 -5.931 -4.489 -7.145 1.00 0.49 H new ATOM 0 HB3 GLU A 411 -4.672 -3.409 -6.580 1.00 0.49 H new ATOM 0 HG2 GLU A 411 -3.741 -4.551 -8.425 1.00 0.58 H new ATOM 0 HG3 GLU A 411 -3.005 -5.277 -7.010 1.00 0.58 H new ATOM 767 N TYR A 412 -5.457 -3.370 -3.545 1.00 0.38 N ATOM 768 CA TYR A 412 -6.275 -2.529 -2.679 1.00 0.35 C ATOM 769 C TYR A 412 -6.185 -1.058 -3.076 1.00 0.33 C ATOM 770 O TYR A 412 -5.099 -0.492 -3.159 1.00 0.34 O ATOM 771 CB TYR A 412 -5.844 -2.694 -1.215 1.00 0.39 C ATOM 772 CG TYR A 412 -5.973 -4.108 -0.673 1.00 0.45 C ATOM 773 CD1 TYR A 412 -5.484 -5.196 -1.390 1.00 0.50 C ATOM 774 CD2 TYR A 412 -6.590 -4.356 0.547 1.00 0.53 C ATOM 775 CE1 TYR A 412 -5.607 -6.486 -0.903 1.00 0.58 C ATOM 776 CE2 TYR A 412 -6.713 -5.639 1.038 1.00 0.61 C ATOM 777 CZ TYR A 412 -6.196 -6.695 0.327 1.00 0.62 C ATOM 778 OH TYR A 412 -6.347 -7.977 0.802 1.00 0.72 O ATOM 0 H TYR A 412 -4.451 -3.265 -3.416 1.00 0.38 H new ATOM 0 HA TYR A 412 -7.310 -2.850 -2.794 1.00 0.35 H new ATOM 0 HB2 TYR A 412 -4.806 -2.375 -1.117 1.00 0.39 H new ATOM 0 HB3 TYR A 412 -6.443 -2.026 -0.596 1.00 0.39 H new ATOM 0 HD1 TYR A 412 -5.001 -5.031 -2.342 1.00 0.50 H new ATOM 0 HD2 TYR A 412 -6.980 -3.529 1.121 1.00 0.53 H new ATOM 0 HE1 TYR A 412 -5.245 -7.323 -1.482 1.00 0.58 H new ATOM 0 HE2 TYR A 412 -7.214 -5.813 1.979 1.00 0.61 H new ATOM 0 HH TYR A 412 -6.862 -7.958 1.636 1.00 0.72 H new ATOM 788 N TYR A 413 -7.342 -0.442 -3.297 1.00 0.33 N ATOM 789 CA TYR A 413 -7.408 0.971 -3.657 1.00 0.32 C ATOM 790 C TYR A 413 -6.840 1.814 -2.527 1.00 0.32 C ATOM 791 O TYR A 413 -7.143 1.568 -1.364 1.00 0.40 O ATOM 792 CB TYR A 413 -8.860 1.372 -3.909 1.00 0.36 C ATOM 793 CG TYR A 413 -9.035 2.804 -4.366 1.00 0.38 C ATOM 794 CD1 TYR A 413 -8.241 3.340 -5.374 1.00 0.40 C ATOM 795 CD2 TYR A 413 -10.001 3.620 -3.790 1.00 0.44 C ATOM 796 CE1 TYR A 413 -8.404 4.648 -5.791 1.00 0.44 C ATOM 797 CE2 TYR A 413 -10.170 4.928 -4.203 1.00 0.48 C ATOM 798 CZ TYR A 413 -9.369 5.437 -5.203 1.00 0.46 C ATOM 799 OH TYR A 413 -9.535 6.739 -5.615 1.00 0.51 O ATOM 0 H TYR A 413 -8.251 -0.901 -3.233 1.00 0.33 H new ATOM 0 HA TYR A 413 -6.824 1.137 -4.563 1.00 0.32 H new ATOM 0 HB2 TYR A 413 -9.284 0.707 -4.662 1.00 0.36 H new ATOM 0 HB3 TYR A 413 -9.431 1.222 -2.993 1.00 0.36 H new ATOM 0 HD1 TYR A 413 -7.485 2.725 -5.839 1.00 0.40 H new ATOM 0 HD2 TYR A 413 -10.630 3.225 -3.006 1.00 0.44 H new ATOM 0 HE1 TYR A 413 -7.778 5.050 -6.574 1.00 0.44 H new ATOM 0 HE2 TYR A 413 -10.926 5.548 -3.745 1.00 0.48 H new ATOM 0 HH TYR A 413 -10.257 7.156 -5.100 1.00 0.51 H new ATOM 809 N VAL A 414 -6.017 2.805 -2.855 1.00 0.33 N ATOM 810 CA VAL A 414 -5.426 3.646 -1.823 1.00 0.33 C ATOM 811 C VAL A 414 -5.377 5.118 -2.224 1.00 0.29 C ATOM 812 O VAL A 414 -5.036 5.462 -3.355 1.00 0.38 O ATOM 813 CB VAL A 414 -4.005 3.170 -1.459 1.00 0.39 C ATOM 814 CG1 VAL A 414 -3.060 3.305 -2.644 1.00 1.09 C ATOM 815 CG2 VAL A 414 -3.482 3.940 -0.261 1.00 1.15 C ATOM 0 H VAL A 414 -5.748 3.042 -3.810 1.00 0.33 H new ATOM 0 HA VAL A 414 -6.075 3.553 -0.952 1.00 0.33 H new ATOM 0 HB VAL A 414 -4.057 2.113 -1.196 1.00 0.39 H new ATOM 0 HG11 VAL A 414 -2.066 2.962 -2.357 1.00 1.09 H new ATOM 0 HG12 VAL A 414 -3.428 2.700 -3.473 1.00 1.09 H new ATOM 0 HG13 VAL A 414 -3.009 4.350 -2.951 1.00 1.09 H new ATOM 0 HG21 VAL A 414 -2.478 3.593 -0.016 1.00 1.15 H new ATOM 0 HG22 VAL A 414 -3.451 5.004 -0.497 1.00 1.15 H new ATOM 0 HG23 VAL A 414 -4.141 3.777 0.592 1.00 1.15 H new ATOM 825 N HIS A 415 -5.712 5.978 -1.265 1.00 0.33 N ATOM 826 CA HIS A 415 -5.706 7.421 -1.470 1.00 0.32 C ATOM 827 C HIS A 415 -4.599 8.057 -0.632 1.00 0.32 C ATOM 828 O HIS A 415 -4.777 8.297 0.562 1.00 0.34 O ATOM 829 CB HIS A 415 -7.066 8.008 -1.076 1.00 0.37 C ATOM 830 CG HIS A 415 -7.184 9.486 -1.295 1.00 0.44 C ATOM 831 ND1 HIS A 415 -7.184 10.065 -2.547 1.00 0.50 N ATOM 832 CD2 HIS A 415 -7.307 10.505 -0.411 1.00 0.54 C ATOM 833 CE1 HIS A 415 -7.303 11.376 -2.423 1.00 0.60 C ATOM 834 NE2 HIS A 415 -7.380 11.667 -1.138 1.00 0.62 N ATOM 0 H HIS A 415 -5.994 5.693 -0.327 1.00 0.33 H new ATOM 0 HA HIS A 415 -5.521 7.633 -2.523 1.00 0.32 H new ATOM 0 HB2 HIS A 415 -7.846 7.504 -1.647 1.00 0.37 H new ATOM 0 HB3 HIS A 415 -7.251 7.792 -0.024 1.00 0.37 H new ATOM 0 HD2 HIS A 415 -7.341 10.419 0.665 1.00 0.54 H new ATOM 0 HE1 HIS A 415 -7.332 12.088 -3.235 1.00 0.60 H new ATOM 0 HE2 HIS A 415 -7.478 12.604 -0.748 1.00 0.62 H new ATOM 843 N TYR A 416 -3.451 8.313 -1.256 1.00 0.37 N ATOM 844 CA TYR A 416 -2.316 8.903 -0.550 1.00 0.40 C ATOM 845 C TYR A 416 -2.698 10.234 0.090 1.00 0.45 C ATOM 846 O TYR A 416 -3.218 11.128 -0.577 1.00 0.57 O ATOM 847 CB TYR A 416 -1.127 9.106 -1.497 1.00 0.46 C ATOM 848 CG TYR A 416 -0.603 7.827 -2.118 1.00 0.47 C ATOM 849 CD1 TYR A 416 -1.369 7.102 -3.021 1.00 0.53 C ATOM 850 CD2 TYR A 416 0.666 7.354 -1.807 1.00 0.51 C ATOM 851 CE1 TYR A 416 -0.887 5.941 -3.596 1.00 0.59 C ATOM 852 CE2 TYR A 416 1.155 6.194 -2.379 1.00 0.54 C ATOM 853 CZ TYR A 416 0.375 5.492 -3.272 1.00 0.57 C ATOM 854 OH TYR A 416 0.858 4.339 -3.845 1.00 0.65 O ATOM 0 H TYR A 416 -3.283 8.122 -2.244 1.00 0.37 H new ATOM 0 HA TYR A 416 -2.025 8.208 0.238 1.00 0.40 H new ATOM 0 HB2 TYR A 416 -1.424 9.789 -2.293 1.00 0.46 H new ATOM 0 HB3 TYR A 416 -0.318 9.588 -0.948 1.00 0.46 H new ATOM 0 HD1 TYR A 416 -2.358 7.451 -3.278 1.00 0.53 H new ATOM 0 HD2 TYR A 416 1.280 7.901 -1.107 1.00 0.51 H new ATOM 0 HE1 TYR A 416 -1.496 5.388 -4.296 1.00 0.59 H new ATOM 0 HE2 TYR A 416 2.144 5.840 -2.127 1.00 0.54 H new ATOM 0 HH TYR A 416 1.827 4.286 -3.708 1.00 0.65 H new ATOM 864 N VAL A 417 -2.431 10.356 1.388 1.00 0.45 N ATOM 865 CA VAL A 417 -2.741 11.579 2.120 1.00 0.55 C ATOM 866 C VAL A 417 -1.794 12.705 1.729 1.00 0.66 C ATOM 867 O VAL A 417 -0.576 12.537 1.741 1.00 1.34 O ATOM 868 CB VAL A 417 -2.662 11.362 3.644 1.00 0.68 C ATOM 869 CG1 VAL A 417 -2.950 12.657 4.388 1.00 1.10 C ATOM 870 CG2 VAL A 417 -3.626 10.272 4.074 1.00 1.01 C ATOM 0 H VAL A 417 -2.001 9.623 1.953 1.00 0.45 H new ATOM 0 HA VAL A 417 -3.762 11.855 1.855 1.00 0.55 H new ATOM 0 HB VAL A 417 -1.649 11.045 3.894 1.00 0.68 H new ATOM 0 HG11 VAL A 417 -2.889 12.481 5.462 1.00 1.10 H new ATOM 0 HG12 VAL A 417 -2.217 13.412 4.102 1.00 1.10 H new ATOM 0 HG13 VAL A 417 -3.950 13.008 4.134 1.00 1.10 H new ATOM 0 HG21 VAL A 417 -3.558 10.131 5.153 1.00 1.01 H new ATOM 0 HG22 VAL A 417 -4.643 10.561 3.809 1.00 1.01 H new ATOM 0 HG23 VAL A 417 -3.370 9.340 3.569 1.00 1.01 H new ATOM 880 N GLY A 418 -2.365 13.855 1.391 1.00 0.71 N ATOM 881 CA GLY A 418 -1.560 15.000 1.003 1.00 0.82 C ATOM 882 C GLY A 418 -1.030 14.896 -0.417 1.00 0.72 C ATOM 883 O GLY A 418 -1.059 15.873 -1.166 1.00 0.76 O ATOM 0 H GLY A 418 -3.372 14.016 1.378 1.00 0.71 H new ATOM 0 HA2 GLY A 418 -2.158 15.907 1.097 1.00 0.82 H new ATOM 0 HA3 GLY A 418 -0.721 15.098 1.692 1.00 0.82 H new ATOM 887 N LEU A 419 -0.546 13.713 -0.791 1.00 0.66 N ATOM 888 CA LEU A 419 -0.011 13.493 -2.130 1.00 0.60 C ATOM 889 C LEU A 419 -1.069 13.754 -3.196 1.00 0.59 C ATOM 890 O LEU A 419 -2.269 13.666 -2.931 1.00 0.76 O ATOM 891 CB LEU A 419 0.532 12.068 -2.282 1.00 0.58 C ATOM 892 CG LEU A 419 1.840 11.777 -1.541 1.00 0.78 C ATOM 893 CD1 LEU A 419 1.623 11.755 -0.037 1.00 1.60 C ATOM 894 CD2 LEU A 419 2.436 10.460 -2.018 1.00 1.40 C ATOM 0 H LEU A 419 -0.514 12.893 -0.185 1.00 0.66 H new ATOM 0 HA LEU A 419 0.809 14.198 -2.269 1.00 0.60 H new ATOM 0 HB2 LEU A 419 -0.227 11.369 -1.930 1.00 0.58 H new ATOM 0 HB3 LEU A 419 0.683 11.867 -3.343 1.00 0.58 H new ATOM 0 HG LEU A 419 2.544 12.579 -1.765 1.00 0.78 H new ATOM 0 HD11 LEU A 419 2.568 11.546 0.464 1.00 1.60 H new ATOM 0 HD12 LEU A 419 1.245 12.724 0.290 1.00 1.60 H new ATOM 0 HD13 LEU A 419 0.900 10.979 0.215 1.00 1.60 H new ATOM 0 HD21 LEU A 419 3.365 10.266 -1.483 1.00 1.40 H new ATOM 0 HD22 LEU A 419 1.731 9.651 -1.826 1.00 1.40 H new ATOM 0 HD23 LEU A 419 2.639 10.519 -3.087 1.00 1.40 H new ATOM 906 N ASN A 420 -0.609 14.081 -4.400 1.00 0.61 N ATOM 907 CA ASN A 420 -1.497 14.362 -5.521 1.00 0.63 C ATOM 908 C ASN A 420 -2.518 13.237 -5.698 1.00 0.56 C ATOM 909 O ASN A 420 -2.187 12.061 -5.551 1.00 0.56 O ATOM 910 CB ASN A 420 -0.676 14.527 -6.802 1.00 0.75 C ATOM 911 CG ASN A 420 -1.452 15.194 -7.917 1.00 1.57 C ATOM 912 OD1 ASN A 420 -2.522 14.732 -8.310 1.00 2.53 O ATOM 913 ND2 ASN A 420 -0.908 16.285 -8.439 1.00 1.98 N ATOM 0 H ASN A 420 0.383 14.158 -4.624 1.00 0.61 H new ATOM 0 HA ASN A 420 -2.036 15.287 -5.314 1.00 0.63 H new ATOM 0 HB2 ASN A 420 0.215 15.116 -6.583 1.00 0.75 H new ATOM 0 HB3 ASN A 420 -0.336 13.548 -7.138 1.00 0.75 H new ATOM 0 HD21 ASN A 420 -1.379 16.777 -9.198 1.00 1.98 H new ATOM 0 HD22 ASN A 420 -0.018 16.632 -8.081 1.00 1.98 H new ATOM 920 N ARG A 421 -3.755 13.606 -6.016 1.00 0.62 N ATOM 921 CA ARG A 421 -4.819 12.625 -6.214 1.00 0.67 C ATOM 922 C ARG A 421 -4.483 11.707 -7.383 1.00 0.66 C ATOM 923 O ARG A 421 -4.757 10.508 -7.347 1.00 0.69 O ATOM 924 CB ARG A 421 -6.158 13.323 -6.459 1.00 0.87 C ATOM 925 CG ARG A 421 -6.153 14.253 -7.659 1.00 1.09 C ATOM 926 CD ARG A 421 -7.504 14.929 -7.842 1.00 1.51 C ATOM 927 NE ARG A 421 -7.517 15.833 -8.990 1.00 2.25 N ATOM 928 CZ ARG A 421 -6.759 16.924 -9.081 1.00 3.00 C ATOM 929 NH1 ARG A 421 -5.944 17.257 -8.090 1.00 3.28 N ATOM 930 NH2 ARG A 421 -6.824 17.685 -10.164 1.00 3.98 N ATOM 0 H ARG A 421 -4.046 14.575 -6.142 1.00 0.62 H new ATOM 0 HA ARG A 421 -4.903 12.024 -5.309 1.00 0.67 H new ATOM 0 HB2 ARG A 421 -6.931 12.567 -6.600 1.00 0.87 H new ATOM 0 HB3 ARG A 421 -6.428 13.893 -5.570 1.00 0.87 H new ATOM 0 HG2 ARG A 421 -5.380 15.010 -7.531 1.00 1.09 H new ATOM 0 HG3 ARG A 421 -5.902 13.689 -8.557 1.00 1.09 H new ATOM 0 HD2 ARG A 421 -8.274 14.169 -7.971 1.00 1.51 H new ATOM 0 HD3 ARG A 421 -7.755 15.487 -6.940 1.00 1.51 H new ATOM 0 HE ARG A 421 -8.142 15.616 -9.766 1.00 2.25 H new ATOM 0 HH11 ARG A 421 -5.895 16.676 -7.253 1.00 3.28 H new ATOM 0 HH12 ARG A 421 -5.365 18.094 -8.165 1.00 3.28 H new ATOM 0 HH21 ARG A 421 -7.454 17.435 -10.926 1.00 3.98 H new ATOM 0 HH22 ARG A 421 -6.244 18.521 -10.235 1.00 3.98 H new ATOM 944 N ARG A 422 -3.877 12.288 -8.410 1.00 0.71 N ATOM 945 CA ARG A 422 -3.478 11.550 -9.592 1.00 0.83 C ATOM 946 C ARG A 422 -2.577 10.377 -9.217 1.00 0.72 C ATOM 947 O ARG A 422 -2.703 9.280 -9.765 1.00 0.77 O ATOM 948 CB ARG A 422 -2.759 12.498 -10.549 1.00 1.01 C ATOM 949 CG ARG A 422 -1.964 11.789 -11.616 1.00 1.19 C ATOM 950 CD ARG A 422 -1.348 12.770 -12.601 1.00 1.49 C ATOM 951 NE ARG A 422 -2.355 13.633 -13.218 1.00 2.09 N ATOM 952 CZ ARG A 422 -3.237 13.214 -14.124 1.00 2.79 C ATOM 953 NH1 ARG A 422 -3.174 11.978 -14.600 1.00 3.07 N ATOM 954 NH2 ARG A 422 -4.167 14.045 -14.576 1.00 3.71 N ATOM 0 H ARG A 422 -3.650 13.282 -8.443 1.00 0.71 H new ATOM 0 HA ARG A 422 -4.363 11.143 -10.081 1.00 0.83 H new ATOM 0 HB2 ARG A 422 -3.494 13.146 -11.026 1.00 1.01 H new ATOM 0 HB3 ARG A 422 -2.091 13.141 -9.976 1.00 1.01 H new ATOM 0 HG2 ARG A 422 -1.176 11.197 -11.150 1.00 1.19 H new ATOM 0 HG3 ARG A 422 -2.611 11.094 -12.151 1.00 1.19 H new ATOM 0 HD2 ARG A 422 -0.610 13.385 -12.086 1.00 1.49 H new ATOM 0 HD3 ARG A 422 -0.818 12.219 -13.378 1.00 1.49 H new ATOM 0 HE ARG A 422 -2.384 14.613 -12.938 1.00 2.09 H new ATOM 0 HH11 ARG A 422 -2.447 11.342 -14.273 1.00 3.07 H new ATOM 0 HH12 ARG A 422 -3.852 11.663 -15.294 1.00 3.07 H new ATOM 0 HH21 ARG A 422 -4.206 15.004 -14.230 1.00 3.71 H new ATOM 0 HH22 ARG A 422 -4.843 13.725 -15.270 1.00 3.71 H new ATOM 968 N LEU A 423 -1.677 10.616 -8.270 1.00 0.65 N ATOM 969 CA LEU A 423 -0.757 9.587 -7.800 1.00 0.62 C ATOM 970 C LEU A 423 -1.523 8.434 -7.164 1.00 0.52 C ATOM 971 O LEU A 423 -1.129 7.273 -7.272 1.00 0.53 O ATOM 972 CB LEU A 423 0.208 10.188 -6.777 1.00 0.69 C ATOM 973 CG LEU A 423 1.128 11.286 -7.313 1.00 0.89 C ATOM 974 CD1 LEU A 423 1.749 12.065 -6.165 1.00 1.31 C ATOM 975 CD2 LEU A 423 2.212 10.688 -8.196 1.00 1.49 C ATOM 0 H LEU A 423 -1.565 11.519 -7.810 1.00 0.65 H new ATOM 0 HA LEU A 423 -0.196 9.205 -8.653 1.00 0.62 H new ATOM 0 HB2 LEU A 423 -0.373 10.595 -5.950 1.00 0.69 H new ATOM 0 HB3 LEU A 423 0.825 9.387 -6.369 1.00 0.69 H new ATOM 0 HG LEU A 423 0.532 11.972 -7.915 1.00 0.89 H new ATOM 0 HD11 LEU A 423 2.401 12.842 -6.563 1.00 1.31 H new ATOM 0 HD12 LEU A 423 0.961 12.523 -5.568 1.00 1.31 H new ATOM 0 HD13 LEU A 423 2.331 11.389 -5.539 1.00 1.31 H new ATOM 0 HD21 LEU A 423 2.857 11.483 -8.569 1.00 1.49 H new ATOM 0 HD22 LEU A 423 2.805 9.981 -7.616 1.00 1.49 H new ATOM 0 HD23 LEU A 423 1.751 10.170 -9.037 1.00 1.49 H new ATOM 987 N ASP A 424 -2.614 8.774 -6.489 1.00 0.49 N ATOM 988 CA ASP A 424 -3.444 7.786 -5.810 1.00 0.50 C ATOM 989 C ASP A 424 -4.099 6.827 -6.799 1.00 0.45 C ATOM 990 O ASP A 424 -4.584 7.236 -7.854 1.00 0.49 O ATOM 991 CB ASP A 424 -4.516 8.491 -4.979 1.00 0.66 C ATOM 992 CG ASP A 424 -3.923 9.487 -3.999 1.00 0.81 C ATOM 993 OD1 ASP A 424 -2.688 9.665 -4.009 1.00 0.97 O ATOM 994 OD2 ASP A 424 -4.691 10.084 -3.217 1.00 1.20 O ATOM 0 H ASP A 424 -2.947 9.734 -6.397 1.00 0.49 H new ATOM 0 HA ASP A 424 -2.799 7.200 -5.155 1.00 0.50 H new ATOM 0 HB2 ASP A 424 -5.207 9.008 -5.645 1.00 0.66 H new ATOM 0 HB3 ASP A 424 -5.096 7.748 -4.432 1.00 0.66 H new ATOM 999 N GLY A 425 -4.112 5.548 -6.439 1.00 0.44 N ATOM 1000 CA GLY A 425 -4.712 4.534 -7.286 1.00 0.50 C ATOM 1001 C GLY A 425 -4.655 3.160 -6.650 1.00 0.45 C ATOM 1002 O GLY A 425 -4.649 3.040 -5.426 1.00 0.70 O ATOM 0 H GLY A 425 -3.714 5.194 -5.569 1.00 0.44 H new ATOM 0 HA2 GLY A 425 -5.750 4.798 -7.488 1.00 0.50 H new ATOM 0 HA3 GLY A 425 -4.196 4.511 -8.246 1.00 0.50 H new ATOM 1006 N TRP A 426 -4.606 2.119 -7.475 1.00 0.50 N ATOM 1007 CA TRP A 426 -4.543 0.755 -6.966 1.00 0.44 C ATOM 1008 C TRP A 426 -3.108 0.373 -6.620 1.00 0.45 C ATOM 1009 O TRP A 426 -2.174 0.688 -7.359 1.00 0.57 O ATOM 1010 CB TRP A 426 -5.142 -0.229 -7.972 1.00 0.47 C ATOM 1011 CG TRP A 426 -6.594 0.027 -8.239 1.00 0.49 C ATOM 1012 CD1 TRP A 426 -7.124 1.045 -8.979 1.00 0.57 C ATOM 1013 CD2 TRP A 426 -7.703 -0.729 -7.742 1.00 0.48 C ATOM 1014 NE1 TRP A 426 -8.495 0.958 -8.987 1.00 0.61 N ATOM 1015 CE2 TRP A 426 -8.874 -0.122 -8.233 1.00 0.55 C ATOM 1016 CE3 TRP A 426 -7.820 -1.864 -6.937 1.00 0.50 C ATOM 1017 CZ2 TRP A 426 -10.144 -0.612 -7.941 1.00 0.59 C ATOM 1018 CZ3 TRP A 426 -9.082 -2.348 -6.647 1.00 0.56 C ATOM 1019 CH2 TRP A 426 -10.229 -1.723 -7.148 1.00 0.59 C ATOM 0 H TRP A 426 -4.609 2.193 -8.492 1.00 0.50 H new ATOM 0 HA TRP A 426 -5.136 0.706 -6.053 1.00 0.44 H new ATOM 0 HB2 TRP A 426 -4.588 -0.166 -8.909 1.00 0.47 H new ATOM 0 HB3 TRP A 426 -5.020 -1.245 -7.597 1.00 0.47 H new ATOM 0 HD1 TRP A 426 -6.549 1.807 -9.484 1.00 0.57 H new ATOM 0 HE1 TRP A 426 -9.127 1.593 -9.474 1.00 0.61 H new ATOM 0 HE3 TRP A 426 -6.940 -2.355 -6.548 1.00 0.50 H new ATOM 0 HZ2 TRP A 426 -11.031 -0.132 -8.327 1.00 0.59 H new ATOM 0 HZ3 TRP A 426 -9.184 -3.224 -6.023 1.00 0.56 H new ATOM 0 HH2 TRP A 426 -11.201 -2.126 -6.904 1.00 0.59 H new ATOM 1030 N VAL A 427 -2.942 -0.291 -5.482 1.00 0.39 N ATOM 1031 CA VAL A 427 -1.623 -0.702 -5.014 1.00 0.46 C ATOM 1032 C VAL A 427 -1.577 -2.192 -4.693 1.00 0.51 C ATOM 1033 O VAL A 427 -2.516 -2.748 -4.123 1.00 0.70 O ATOM 1034 CB VAL A 427 -1.212 0.101 -3.765 1.00 0.64 C ATOM 1035 CG1 VAL A 427 -2.361 0.184 -2.782 1.00 0.89 C ATOM 1036 CG2 VAL A 427 -0.007 -0.509 -3.099 1.00 0.85 C ATOM 0 H VAL A 427 -3.708 -0.557 -4.864 1.00 0.39 H new ATOM 0 HA VAL A 427 -0.921 -0.501 -5.823 1.00 0.46 H new ATOM 0 HB VAL A 427 -0.952 1.108 -4.089 1.00 0.64 H new ATOM 0 HG11 VAL A 427 -2.051 0.755 -1.907 1.00 0.89 H new ATOM 0 HG12 VAL A 427 -3.210 0.678 -3.255 1.00 0.89 H new ATOM 0 HG13 VAL A 427 -2.651 -0.821 -2.475 1.00 0.89 H new ATOM 0 HG21 VAL A 427 0.260 0.079 -2.221 1.00 0.85 H new ATOM 0 HG22 VAL A 427 -0.237 -1.530 -2.796 1.00 0.85 H new ATOM 0 HG23 VAL A 427 0.830 -0.518 -3.798 1.00 0.85 H new ATOM 1046 N GLY A 428 -0.468 -2.827 -5.061 1.00 0.52 N ATOM 1047 CA GLY A 428 -0.294 -4.243 -4.805 1.00 0.65 C ATOM 1048 C GLY A 428 -0.235 -4.564 -3.324 1.00 0.79 C ATOM 1049 O GLY A 428 0.256 -3.764 -2.527 1.00 1.72 O ATOM 0 H GLY A 428 0.317 -2.381 -5.535 1.00 0.52 H new ATOM 0 HA2 GLY A 428 -1.116 -4.795 -5.260 1.00 0.65 H new ATOM 0 HA3 GLY A 428 0.623 -4.585 -5.284 1.00 0.65 H new ATOM 1053 N ARG A 429 -0.736 -5.739 -2.962 1.00 0.54 N ATOM 1054 CA ARG A 429 -0.747 -6.187 -1.572 1.00 0.54 C ATOM 1055 C ARG A 429 0.646 -6.100 -0.948 1.00 0.49 C ATOM 1056 O ARG A 429 0.792 -5.740 0.221 1.00 0.53 O ATOM 1057 CB ARG A 429 -1.264 -7.628 -1.504 1.00 0.68 C ATOM 1058 CG ARG A 429 -1.219 -8.243 -0.113 1.00 0.83 C ATOM 1059 CD ARG A 429 -2.114 -7.494 0.866 1.00 0.85 C ATOM 1060 NE ARG A 429 -2.130 -8.124 2.186 1.00 1.20 N ATOM 1061 CZ ARG A 429 -1.103 -8.103 3.033 1.00 1.26 C ATOM 1062 NH1 ARG A 429 -0.011 -7.405 2.748 1.00 1.73 N ATOM 1063 NH2 ARG A 429 -1.179 -8.762 4.181 1.00 1.65 N ATOM 0 H ARG A 429 -1.144 -6.405 -3.618 1.00 0.54 H new ATOM 0 HA ARG A 429 -1.408 -5.532 -1.005 1.00 0.54 H new ATOM 0 HB2 ARG A 429 -2.292 -7.650 -1.866 1.00 0.68 H new ATOM 0 HB3 ARG A 429 -0.674 -8.246 -2.181 1.00 0.68 H new ATOM 0 HG2 ARG A 429 -1.532 -9.286 -0.166 1.00 0.83 H new ATOM 0 HG3 ARG A 429 -0.193 -8.236 0.254 1.00 0.83 H new ATOM 0 HD2 ARG A 429 -1.767 -6.465 0.960 1.00 0.85 H new ATOM 0 HD3 ARG A 429 -3.129 -7.454 0.471 1.00 0.85 H new ATOM 0 HE ARG A 429 -2.980 -8.609 2.475 1.00 1.20 H new ATOM 0 HH11 ARG A 429 0.045 -6.880 1.875 1.00 1.73 H new ATOM 0 HH12 ARG A 429 0.772 -7.393 3.402 1.00 1.73 H new ATOM 0 HH21 ARG A 429 -2.024 -9.284 4.414 1.00 1.65 H new ATOM 0 HH22 ARG A 429 -0.393 -8.747 4.831 1.00 1.65 H new ATOM 1077 N HIS A 430 1.661 -6.447 -1.732 1.00 0.49 N ATOM 1078 CA HIS A 430 3.045 -6.426 -1.265 1.00 0.53 C ATOM 1079 C HIS A 430 3.524 -5.015 -0.921 1.00 0.47 C ATOM 1080 O HIS A 430 4.417 -4.844 -0.089 1.00 0.49 O ATOM 1081 CB HIS A 430 3.966 -7.044 -2.322 1.00 0.65 C ATOM 1082 CG HIS A 430 3.877 -6.380 -3.661 1.00 0.77 C ATOM 1083 ND1 HIS A 430 2.715 -6.332 -4.402 1.00 1.20 N ATOM 1084 CD2 HIS A 430 4.816 -5.737 -4.396 1.00 1.47 C ATOM 1085 CE1 HIS A 430 2.943 -5.690 -5.534 1.00 1.31 C ATOM 1086 NE2 HIS A 430 4.209 -5.318 -5.555 1.00 1.46 N ATOM 0 H HIS A 430 1.551 -6.748 -2.700 1.00 0.49 H new ATOM 0 HA HIS A 430 3.084 -7.015 -0.349 1.00 0.53 H new ATOM 0 HB2 HIS A 430 4.996 -6.992 -1.969 1.00 0.65 H new ATOM 0 HB3 HIS A 430 3.720 -8.100 -2.433 1.00 0.65 H new ATOM 0 HD2 HIS A 430 5.849 -5.583 -4.122 1.00 1.47 H new ATOM 0 HE1 HIS A 430 2.216 -5.502 -6.311 1.00 1.31 H new ATOM 0 HE2 HIS A 430 4.663 -4.803 -6.309 1.00 1.46 H new ATOM 1095 N ARG A 431 2.951 -4.007 -1.573 1.00 0.43 N ATOM 1096 CA ARG A 431 3.355 -2.622 -1.334 1.00 0.41 C ATOM 1097 C ARG A 431 2.748 -2.057 -0.048 1.00 0.37 C ATOM 1098 O ARG A 431 3.343 -1.191 0.591 1.00 0.57 O ATOM 1099 CB ARG A 431 2.971 -1.732 -2.520 1.00 0.44 C ATOM 1100 CG ARG A 431 3.470 -2.248 -3.860 1.00 0.53 C ATOM 1101 CD ARG A 431 3.112 -1.299 -4.993 1.00 0.64 C ATOM 1102 NE ARG A 431 3.581 -1.786 -6.290 1.00 1.39 N ATOM 1103 CZ ARG A 431 4.865 -1.958 -6.599 1.00 2.05 C ATOM 1104 NH1 ARG A 431 5.812 -1.670 -5.715 1.00 2.55 N ATOM 1105 NH2 ARG A 431 5.204 -2.416 -7.797 1.00 2.84 N ATOM 0 H ARG A 431 2.211 -4.120 -2.266 1.00 0.43 H new ATOM 0 HA ARG A 431 4.439 -2.626 -1.220 1.00 0.41 H new ATOM 0 HB2 ARG A 431 1.885 -1.641 -2.558 1.00 0.44 H new ATOM 0 HB3 ARG A 431 3.369 -0.731 -2.355 1.00 0.44 H new ATOM 0 HG2 ARG A 431 4.552 -2.377 -3.821 1.00 0.53 H new ATOM 0 HG3 ARG A 431 3.038 -3.229 -4.056 1.00 0.53 H new ATOM 0 HD2 ARG A 431 2.031 -1.167 -5.026 1.00 0.64 H new ATOM 0 HD3 ARG A 431 3.547 -0.319 -4.796 1.00 0.64 H new ATOM 0 HE ARG A 431 2.883 -2.007 -7.000 1.00 1.39 H new ATOM 0 HH11 ARG A 431 5.558 -1.315 -4.793 1.00 2.55 H new ATOM 0 HH12 ARG A 431 6.794 -1.804 -5.957 1.00 2.55 H new ATOM 0 HH21 ARG A 431 4.481 -2.637 -8.482 1.00 2.84 H new ATOM 0 HH22 ARG A 431 6.188 -2.548 -8.033 1.00 2.84 H new ATOM 1119 N ILE A 432 1.564 -2.536 0.329 1.00 0.39 N ATOM 1120 CA ILE A 432 0.904 -2.044 1.538 1.00 0.36 C ATOM 1121 C ILE A 432 1.338 -2.822 2.777 1.00 0.38 C ATOM 1122 O ILE A 432 1.486 -4.044 2.740 1.00 0.44 O ATOM 1123 CB ILE A 432 -0.634 -2.112 1.426 1.00 0.38 C ATOM 1124 CG1 ILE A 432 -1.123 -1.264 0.252 1.00 0.40 C ATOM 1125 CG2 ILE A 432 -1.283 -1.650 2.725 1.00 0.42 C ATOM 1126 CD1 ILE A 432 -2.625 -1.297 0.070 1.00 0.46 C ATOM 0 H ILE A 432 1.047 -3.255 -0.177 1.00 0.39 H new ATOM 0 HA ILE A 432 1.209 -1.003 1.640 1.00 0.36 H new ATOM 0 HB ILE A 432 -0.922 -3.148 1.246 1.00 0.38 H new ATOM 0 HG12 ILE A 432 -0.805 -0.232 0.402 1.00 0.40 H new ATOM 0 HG13 ILE A 432 -0.646 -1.615 -0.663 1.00 0.40 H new ATOM 0 HG21 ILE A 432 -2.367 -1.704 2.629 1.00 0.42 H new ATOM 0 HG22 ILE A 432 -0.958 -2.293 3.543 1.00 0.42 H new ATOM 0 HG23 ILE A 432 -0.988 -0.622 2.933 1.00 0.42 H new ATOM 0 HD11 ILE A 432 -2.902 -0.674 -0.780 1.00 0.46 H new ATOM 0 HD12 ILE A 432 -2.947 -2.322 -0.111 1.00 0.46 H new ATOM 0 HD13 ILE A 432 -3.109 -0.918 0.970 1.00 0.46 H new ATOM 1138 N SER A 433 1.527 -2.094 3.874 1.00 0.34 N ATOM 1139 CA SER A 433 1.934 -2.689 5.143 1.00 0.38 C ATOM 1140 C SER A 433 1.636 -1.733 6.295 1.00 0.36 C ATOM 1141 O SER A 433 1.833 -0.524 6.177 1.00 0.34 O ATOM 1142 CB SER A 433 3.422 -3.038 5.125 1.00 0.41 C ATOM 1143 OG SER A 433 3.719 -3.972 4.102 1.00 0.53 O ATOM 0 H SER A 433 1.403 -1.082 3.909 1.00 0.34 H new ATOM 0 HA SER A 433 1.365 -3.607 5.287 1.00 0.38 H new ATOM 0 HB2 SER A 433 4.009 -2.132 4.974 1.00 0.41 H new ATOM 0 HB3 SER A 433 3.713 -3.449 6.092 1.00 0.41 H new ATOM 0 HG SER A 433 2.887 -4.369 3.770 1.00 0.53 H new ATOM 1149 N ASP A 434 1.151 -2.284 7.403 1.00 0.43 N ATOM 1150 CA ASP A 434 0.812 -1.483 8.577 1.00 0.48 C ATOM 1151 C ASP A 434 2.059 -1.020 9.332 1.00 0.48 C ATOM 1152 O ASP A 434 1.968 -0.605 10.488 1.00 0.74 O ATOM 1153 CB ASP A 434 -0.097 -2.280 9.515 1.00 0.60 C ATOM 1154 CG ASP A 434 0.537 -3.580 9.979 1.00 0.83 C ATOM 1155 OD1 ASP A 434 1.679 -3.865 9.562 1.00 1.12 O ATOM 1156 OD2 ASP A 434 -0.107 -4.311 10.761 1.00 1.35 O ATOM 0 H ASP A 434 0.983 -3.284 7.514 1.00 0.43 H new ATOM 0 HA ASP A 434 0.287 -0.595 8.226 1.00 0.48 H new ATOM 0 HB2 ASP A 434 -0.341 -1.669 10.384 1.00 0.60 H new ATOM 0 HB3 ASP A 434 -1.035 -2.499 9.006 1.00 0.60 H new ATOM 1161 N ASN A 435 3.218 -1.090 8.683 1.00 0.43 N ATOM 1162 CA ASN A 435 4.465 -0.672 9.316 1.00 0.47 C ATOM 1163 C ASN A 435 5.539 -0.366 8.277 1.00 0.39 C ATOM 1164 O ASN A 435 5.716 -1.107 7.309 1.00 0.38 O ATOM 1165 CB ASN A 435 4.961 -1.750 10.280 1.00 0.59 C ATOM 1166 CG ASN A 435 5.243 -3.068 9.585 1.00 1.26 C ATOM 1167 OD1 ASN A 435 4.356 -3.663 8.974 1.00 2.16 O ATOM 1168 ND2 ASN A 435 6.484 -3.531 9.679 1.00 1.81 N ATOM 0 H ASN A 435 3.320 -1.429 7.727 1.00 0.43 H new ATOM 0 HA ASN A 435 4.264 0.242 9.875 1.00 0.47 H new ATOM 0 HB2 ASN A 435 5.869 -1.402 10.773 1.00 0.59 H new ATOM 0 HB3 ASN A 435 4.215 -1.907 11.059 1.00 0.59 H new ATOM 0 HD21 ASN A 435 6.734 -4.414 9.234 1.00 1.81 H new ATOM 0 HD22 ASN A 435 7.187 -3.003 10.196 1.00 1.81 H new ATOM 1175 N ALA A 436 6.251 0.736 8.491 1.00 0.49 N ATOM 1176 CA ALA A 436 7.313 1.162 7.585 1.00 0.55 C ATOM 1177 C ALA A 436 8.474 0.173 7.577 1.00 0.55 C ATOM 1178 O ALA A 436 9.147 0.006 6.560 1.00 0.54 O ATOM 1179 CB ALA A 436 7.804 2.550 7.972 1.00 0.75 C ATOM 0 H ALA A 436 6.110 1.354 9.290 1.00 0.49 H new ATOM 0 HA ALA A 436 6.900 1.195 6.577 1.00 0.55 H new ATOM 0 HB1 ALA A 436 8.596 2.859 7.290 1.00 0.75 H new ATOM 0 HB2 ALA A 436 6.977 3.258 7.912 1.00 0.75 H new ATOM 0 HB3 ALA A 436 8.190 2.528 8.991 1.00 0.75 H new ATOM 1185 N ASP A 437 8.709 -0.470 8.719 1.00 0.65 N ATOM 1186 CA ASP A 437 9.798 -1.436 8.847 1.00 0.75 C ATOM 1187 C ASP A 437 9.779 -2.446 7.703 1.00 0.71 C ATOM 1188 O ASP A 437 10.825 -2.799 7.158 1.00 0.78 O ATOM 1189 CB ASP A 437 9.702 -2.167 10.188 1.00 0.92 C ATOM 1190 CG ASP A 437 9.808 -1.225 11.373 1.00 1.02 C ATOM 1191 OD1 ASP A 437 9.959 -0.006 11.149 1.00 1.34 O ATOM 1192 OD2 ASP A 437 9.736 -1.705 12.523 1.00 1.34 O ATOM 0 H ASP A 437 8.160 -0.340 9.569 1.00 0.65 H new ATOM 0 HA ASP A 437 10.739 -0.887 8.802 1.00 0.75 H new ATOM 0 HB2 ASP A 437 8.755 -2.704 10.238 1.00 0.92 H new ATOM 0 HB3 ASP A 437 10.495 -2.913 10.249 1.00 0.92 H new ATOM 1197 N ASP A 438 8.585 -2.899 7.335 1.00 0.68 N ATOM 1198 CA ASP A 438 8.434 -3.858 6.247 1.00 0.73 C ATOM 1199 C ASP A 438 8.062 -3.146 4.950 1.00 0.73 C ATOM 1200 O ASP A 438 7.193 -3.604 4.208 1.00 1.35 O ATOM 1201 CB ASP A 438 7.371 -4.903 6.597 1.00 0.88 C ATOM 1202 CG ASP A 438 7.750 -5.736 7.808 1.00 1.08 C ATOM 1203 OD1 ASP A 438 8.837 -5.497 8.374 1.00 1.56 O ATOM 1204 OD2 ASP A 438 6.960 -6.623 8.191 1.00 1.36 O ATOM 0 H ASP A 438 7.708 -2.618 7.774 1.00 0.68 H new ATOM 0 HA ASP A 438 9.389 -4.364 6.104 1.00 0.73 H new ATOM 0 HB2 ASP A 438 6.422 -4.401 6.788 1.00 0.88 H new ATOM 0 HB3 ASP A 438 7.217 -5.561 5.741 1.00 0.88 H new ATOM 1209 N LEU A 439 8.726 -2.023 4.687 1.00 0.54 N ATOM 1210 CA LEU A 439 8.463 -1.237 3.484 1.00 0.53 C ATOM 1211 C LEU A 439 9.719 -0.492 3.031 1.00 0.61 C ATOM 1212 O LEU A 439 10.451 -0.964 2.161 1.00 0.86 O ATOM 1213 CB LEU A 439 7.325 -0.240 3.736 1.00 0.52 C ATOM 1214 CG LEU A 439 5.954 -0.859 4.013 1.00 0.63 C ATOM 1215 CD1 LEU A 439 4.959 0.216 4.419 1.00 1.12 C ATOM 1216 CD2 LEU A 439 5.450 -1.611 2.792 1.00 1.10 C ATOM 0 H LEU A 439 9.451 -1.636 5.291 1.00 0.54 H new ATOM 0 HA LEU A 439 8.166 -1.924 2.692 1.00 0.53 H new ATOM 0 HB2 LEU A 439 7.598 0.389 4.583 1.00 0.52 H new ATOM 0 HB3 LEU A 439 7.240 0.414 2.868 1.00 0.52 H new ATOM 0 HG LEU A 439 6.057 -1.567 4.836 1.00 0.63 H new ATOM 0 HD11 LEU A 439 3.988 -0.241 4.613 1.00 1.12 H new ATOM 0 HD12 LEU A 439 5.311 0.716 5.321 1.00 1.12 H new ATOM 0 HD13 LEU A 439 4.863 0.945 3.615 1.00 1.12 H new ATOM 0 HD21 LEU A 439 4.474 -2.044 3.009 1.00 1.10 H new ATOM 0 HD22 LEU A 439 5.363 -0.923 1.951 1.00 1.10 H new ATOM 0 HD23 LEU A 439 6.151 -2.406 2.539 1.00 1.10 H new ATOM 1228 N GLY A 440 9.962 0.676 3.624 1.00 0.59 N ATOM 1229 CA GLY A 440 11.124 1.469 3.269 1.00 0.77 C ATOM 1230 C GLY A 440 11.283 2.680 4.167 1.00 0.96 C ATOM 1231 O GLY A 440 11.608 3.771 3.697 1.00 1.36 O ATOM 0 H GLY A 440 9.371 1.087 4.347 1.00 0.59 H new ATOM 0 HA2 GLY A 440 12.019 0.850 3.334 1.00 0.77 H new ATOM 0 HA3 GLY A 440 11.037 1.795 2.233 1.00 0.77 H new ATOM 1235 N GLY A 441 11.048 2.487 5.462 1.00 0.93 N ATOM 1236 CA GLY A 441 11.166 3.577 6.410 1.00 1.24 C ATOM 1237 C GLY A 441 10.201 4.708 6.115 1.00 1.14 C ATOM 1238 O GLY A 441 9.044 4.470 5.768 1.00 1.83 O ATOM 0 H GLY A 441 10.777 1.592 5.871 1.00 0.93 H new ATOM 0 HA2 GLY A 441 10.983 3.201 7.416 1.00 1.24 H new ATOM 0 HA3 GLY A 441 12.186 3.960 6.393 1.00 1.24 H new ATOM 1242 N ILE A 442 10.680 5.940 6.247 1.00 1.10 N ATOM 1243 CA ILE A 442 9.857 7.115 5.987 1.00 1.03 C ATOM 1244 C ILE A 442 10.466 7.952 4.866 1.00 1.05 C ATOM 1245 O ILE A 442 10.830 9.112 5.061 1.00 1.39 O ATOM 1246 CB ILE A 442 9.692 7.979 7.256 1.00 1.26 C ATOM 1247 CG1 ILE A 442 9.241 7.112 8.435 1.00 1.41 C ATOM 1248 CG2 ILE A 442 8.694 9.103 7.010 1.00 1.38 C ATOM 1249 CD1 ILE A 442 7.938 6.378 8.191 1.00 1.48 C ATOM 0 H ILE A 442 11.636 6.151 6.533 1.00 1.10 H new ATOM 0 HA ILE A 442 8.870 6.767 5.681 1.00 1.03 H new ATOM 0 HB ILE A 442 10.657 8.423 7.500 1.00 1.26 H new ATOM 0 HG12 ILE A 442 10.021 6.384 8.658 1.00 1.41 H new ATOM 0 HG13 ILE A 442 9.132 7.743 9.317 1.00 1.41 H new ATOM 0 HG21 ILE A 442 8.590 9.702 7.915 1.00 1.38 H new ATOM 0 HG22 ILE A 442 9.050 9.734 6.196 1.00 1.38 H new ATOM 0 HG23 ILE A 442 7.726 8.678 6.743 1.00 1.38 H new ATOM 0 HD11 ILE A 442 7.684 5.785 9.070 1.00 1.48 H new ATOM 0 HD12 ILE A 442 7.144 7.100 7.998 1.00 1.48 H new ATOM 0 HD13 ILE A 442 8.047 5.720 7.329 1.00 1.48 H new ATOM 1261 N THR A 443 10.573 7.341 3.691 1.00 1.13 N ATOM 1262 CA THR A 443 11.131 7.996 2.521 1.00 1.36 C ATOM 1263 C THR A 443 12.459 8.683 2.860 1.00 1.47 C ATOM 1264 O THR A 443 12.701 9.831 2.486 1.00 2.20 O ATOM 1265 CB THR A 443 10.128 9.009 1.947 1.00 2.21 C ATOM 1266 OG1 THR A 443 8.889 8.351 1.659 1.00 3.05 O ATOM 1267 CG2 THR A 443 10.653 9.666 0.677 1.00 2.78 C ATOM 0 H THR A 443 10.275 6.379 3.526 1.00 1.13 H new ATOM 0 HA THR A 443 11.329 7.236 1.765 1.00 1.36 H new ATOM 0 HB THR A 443 9.978 9.787 2.696 1.00 2.21 H new ATOM 0 HG1 THR A 443 8.440 8.117 2.498 1.00 3.05 H new ATOM 0 HG21 THR A 443 9.915 10.375 0.302 1.00 2.78 H new ATOM 0 HG22 THR A 443 11.582 10.191 0.897 1.00 2.78 H new ATOM 0 HG23 THR A 443 10.838 8.902 -0.078 1.00 2.78 H new ATOM 1275 N VAL A 444 13.316 7.967 3.580 1.00 1.90 N ATOM 1276 CA VAL A 444 14.617 8.499 3.973 1.00 2.70 C ATOM 1277 C VAL A 444 15.702 8.049 2.999 1.00 3.02 C ATOM 1278 O VAL A 444 16.738 7.514 3.396 1.00 3.60 O ATOM 1279 CB VAL A 444 14.993 8.074 5.408 1.00 3.53 C ATOM 1280 CG1 VAL A 444 16.234 8.816 5.886 1.00 4.18 C ATOM 1281 CG2 VAL A 444 13.827 8.307 6.357 1.00 4.02 C ATOM 0 H VAL A 444 13.134 7.017 3.904 1.00 1.90 H new ATOM 0 HA VAL A 444 14.543 9.586 3.947 1.00 2.70 H new ATOM 0 HB VAL A 444 15.220 7.008 5.399 1.00 3.53 H new ATOM 0 HG11 VAL A 444 16.479 8.500 6.900 1.00 4.18 H new ATOM 0 HG12 VAL A 444 17.070 8.591 5.224 1.00 4.18 H new ATOM 0 HG13 VAL A 444 16.042 9.889 5.877 1.00 4.18 H new ATOM 0 HG21 VAL A 444 14.111 8.001 7.364 1.00 4.02 H new ATOM 0 HG22 VAL A 444 13.565 9.365 6.359 1.00 4.02 H new ATOM 0 HG23 VAL A 444 12.968 7.722 6.029 1.00 4.02 H new ATOM 1291 N LEU A 445 15.445 8.268 1.720 1.00 3.13 N ATOM 1292 CA LEU A 445 16.384 7.889 0.670 1.00 3.83 C ATOM 1293 C LEU A 445 17.464 8.954 0.483 1.00 4.75 C ATOM 1294 O LEU A 445 17.168 10.148 0.441 1.00 4.99 O ATOM 1295 CB LEU A 445 15.644 7.656 -0.650 1.00 3.87 C ATOM 1296 CG LEU A 445 14.637 6.504 -0.637 1.00 3.48 C ATOM 1297 CD1 LEU A 445 13.384 6.884 0.136 1.00 3.82 C ATOM 1298 CD2 LEU A 445 14.287 6.086 -2.057 1.00 3.70 C ATOM 0 H LEU A 445 14.590 8.708 1.380 1.00 3.13 H new ATOM 0 HA LEU A 445 16.869 6.962 0.975 1.00 3.83 H new ATOM 0 HB2 LEU A 445 15.120 8.573 -0.921 1.00 3.87 H new ATOM 0 HB3 LEU A 445 16.379 7.466 -1.432 1.00 3.87 H new ATOM 0 HG LEU A 445 15.099 5.656 -0.132 1.00 3.48 H new ATOM 0 HD11 LEU A 445 12.685 6.048 0.130 1.00 3.82 H new ATOM 0 HD12 LEU A 445 13.651 7.126 1.165 1.00 3.82 H new ATOM 0 HD13 LEU A 445 12.917 7.751 -0.332 1.00 3.82 H new ATOM 0 HD21 LEU A 445 13.570 5.266 -2.028 1.00 3.70 H new ATOM 0 HD22 LEU A 445 13.850 6.932 -2.588 1.00 3.70 H new ATOM 0 HD23 LEU A 445 15.190 5.761 -2.574 1.00 3.70 H new ATOM 1310 N PRO A 446 18.739 8.532 0.363 1.00 5.56 N ATOM 1311 CA PRO A 446 19.862 9.456 0.175 1.00 6.59 C ATOM 1312 C PRO A 446 19.881 10.071 -1.220 1.00 7.07 C ATOM 1313 O PRO A 446 19.659 9.381 -2.216 1.00 7.26 O ATOM 1314 CB PRO A 446 21.089 8.568 0.385 1.00 7.40 C ATOM 1315 CG PRO A 446 20.634 7.202 0.006 1.00 6.97 C ATOM 1316 CD PRO A 446 19.182 7.124 0.396 1.00 5.82 C ATOM 0 HA PRO A 446 19.810 10.304 0.857 1.00 6.59 H new ATOM 0 HB2 PRO A 446 21.925 8.894 -0.235 1.00 7.40 H new ATOM 0 HB3 PRO A 446 21.429 8.600 1.420 1.00 7.40 H new ATOM 0 HG2 PRO A 446 20.760 7.032 -1.063 1.00 6.97 H new ATOM 0 HG3 PRO A 446 21.218 6.439 0.522 1.00 6.97 H new ATOM 0 HD2 PRO A 446 18.612 6.508 -0.300 1.00 5.82 H new ATOM 0 HD3 PRO A 446 19.056 6.687 1.386 1.00 5.82 H new ATOM 1324 N ALA A 447 20.152 11.372 -1.286 1.00 7.52 N ATOM 1325 CA ALA A 447 20.206 12.081 -2.560 1.00 8.19 C ATOM 1326 C ALA A 447 20.770 13.489 -2.380 1.00 8.83 C ATOM 1327 O ALA A 447 20.252 14.275 -1.586 1.00 9.06 O ATOM 1328 CB ALA A 447 18.821 12.144 -3.187 1.00 8.42 C ATOM 0 H ALA A 447 20.338 11.956 -0.471 1.00 7.52 H new ATOM 0 HA ALA A 447 20.871 11.532 -3.226 1.00 8.19 H new ATOM 0 HB1 ALA A 447 18.876 12.676 -4.137 1.00 8.42 H new ATOM 0 HB2 ALA A 447 18.453 11.132 -3.358 1.00 8.42 H new ATOM 0 HB3 ALA A 447 18.141 12.669 -2.516 1.00 8.42 H new ATOM 1334 N PRO A 448 21.846 13.827 -3.115 1.00 9.38 N ATOM 1335 CA PRO A 448 22.479 15.148 -3.029 1.00 10.23 C ATOM 1336 C PRO A 448 21.580 16.257 -3.574 1.00 10.87 C ATOM 1337 O PRO A 448 21.063 16.152 -4.686 1.00 11.06 O ATOM 1338 CB PRO A 448 23.740 15.013 -3.895 1.00 10.80 C ATOM 1339 CG PRO A 448 23.912 13.549 -4.128 1.00 10.31 C ATOM 1340 CD PRO A 448 22.534 12.959 -4.081 1.00 9.48 C ATOM 0 HA PRO A 448 22.689 15.425 -1.996 1.00 10.23 H new ATOM 0 HB2 PRO A 448 23.628 15.549 -4.837 1.00 10.80 H new ATOM 0 HB3 PRO A 448 24.609 15.434 -3.390 1.00 10.80 H new ATOM 0 HG2 PRO A 448 24.385 13.360 -5.092 1.00 10.31 H new ATOM 0 HG3 PRO A 448 24.553 13.105 -3.366 1.00 10.31 H new ATOM 0 HD2 PRO A 448 22.051 12.978 -5.058 1.00 9.48 H new ATOM 0 HD3 PRO A 448 22.549 11.920 -3.753 1.00 9.48 H new ATOM 1348 N PRO A 449 21.381 17.338 -2.796 1.00 11.41 N ATOM 1349 CA PRO A 449 20.542 18.465 -3.208 1.00 12.23 C ATOM 1350 C PRO A 449 21.263 19.411 -4.165 1.00 13.10 C ATOM 1351 O PRO A 449 21.278 20.625 -3.960 1.00 13.50 O ATOM 1352 CB PRO A 449 20.239 19.165 -1.888 1.00 12.72 C ATOM 1353 CG PRO A 449 21.440 18.905 -1.045 1.00 12.39 C ATOM 1354 CD PRO A 449 21.955 17.547 -1.451 1.00 11.49 C ATOM 0 HA PRO A 449 19.655 18.141 -3.753 1.00 12.23 H new ATOM 0 HB2 PRO A 449 20.079 20.233 -2.033 1.00 12.72 H new ATOM 0 HB3 PRO A 449 19.336 18.767 -1.426 1.00 12.72 H new ATOM 0 HG2 PRO A 449 22.199 19.672 -1.202 1.00 12.39 H new ATOM 0 HG3 PRO A 449 21.183 18.923 0.014 1.00 12.39 H new ATOM 0 HD2 PRO A 449 23.045 17.523 -1.473 1.00 11.49 H new ATOM 0 HD3 PRO A 449 21.633 16.773 -0.754 1.00 11.49 H new ATOM 1362 N LEU A 450 21.857 18.846 -5.210 1.00 13.55 N ATOM 1363 CA LEU A 450 22.581 19.635 -6.202 1.00 14.50 C ATOM 1364 C LEU A 450 22.972 18.782 -7.403 1.00 14.96 C ATOM 1365 O LEU A 450 23.423 17.646 -7.252 1.00 15.17 O ATOM 1366 CB LEU A 450 23.839 20.266 -5.587 1.00 15.07 C ATOM 1367 CG LEU A 450 24.906 19.279 -5.099 1.00 15.25 C ATOM 1368 CD1 LEU A 450 26.207 20.009 -4.800 1.00 15.76 C ATOM 1369 CD2 LEU A 450 24.427 18.533 -3.861 1.00 15.35 C ATOM 0 H LEU A 450 21.852 17.843 -5.393 1.00 13.55 H new ATOM 0 HA LEU A 450 21.914 20.429 -6.538 1.00 14.50 H new ATOM 0 HB2 LEU A 450 24.292 20.925 -6.327 1.00 15.07 H new ATOM 0 HB3 LEU A 450 23.536 20.891 -4.747 1.00 15.07 H new ATOM 0 HG LEU A 450 25.084 18.552 -5.892 1.00 15.25 H new ATOM 0 HD11 LEU A 450 26.954 19.294 -4.455 1.00 15.76 H new ATOM 0 HD12 LEU A 450 26.565 20.500 -5.705 1.00 15.76 H new ATOM 0 HD13 LEU A 450 26.035 20.757 -4.026 1.00 15.76 H new ATOM 0 HD21 LEU A 450 25.200 17.838 -3.533 1.00 15.35 H new ATOM 0 HD22 LEU A 450 24.218 19.247 -3.064 1.00 15.35 H new ATOM 0 HD23 LEU A 450 23.519 17.979 -4.099 1.00 15.35 H new ATOM 1381 N ALA A 451 22.801 19.341 -8.598 1.00 15.28 N ATOM 1382 CA ALA A 451 23.138 18.638 -9.829 1.00 15.91 C ATOM 1383 C ALA A 451 24.639 18.362 -9.909 1.00 16.47 C ATOM 1384 O ALA A 451 25.453 19.225 -9.576 1.00 16.74 O ATOM 1385 CB ALA A 451 22.681 19.442 -11.037 1.00 16.18 C ATOM 0 H ALA A 451 22.430 20.281 -8.738 1.00 15.28 H new ATOM 0 HA ALA A 451 22.618 17.680 -9.827 1.00 15.91 H new ATOM 0 HB1 ALA A 451 22.939 18.905 -11.950 1.00 16.18 H new ATOM 0 HB2 ALA A 451 21.601 19.584 -10.992 1.00 16.18 H new ATOM 0 HB3 ALA A 451 23.175 20.414 -11.035 1.00 16.18 H new ATOM 1391 N PRO A 452 25.029 17.152 -10.355 1.00 16.82 N ATOM 1392 CA PRO A 452 26.440 16.771 -10.478 1.00 17.52 C ATOM 1393 C PRO A 452 27.190 17.638 -11.484 1.00 18.21 C ATOM 1394 O PRO A 452 26.662 17.969 -12.547 1.00 18.53 O ATOM 1395 CB PRO A 452 26.386 15.318 -10.961 1.00 17.79 C ATOM 1396 CG PRO A 452 25.032 15.161 -11.563 1.00 17.36 C ATOM 1397 CD PRO A 452 24.127 16.066 -10.778 1.00 16.73 C ATOM 0 HA PRO A 452 26.974 16.898 -9.536 1.00 17.52 H new ATOM 0 HB2 PRO A 452 27.169 15.116 -11.692 1.00 17.79 H new ATOM 0 HB3 PRO A 452 26.534 14.622 -10.135 1.00 17.79 H new ATOM 0 HG2 PRO A 452 25.039 15.435 -12.618 1.00 17.36 H new ATOM 0 HG3 PRO A 452 24.696 14.126 -11.505 1.00 17.36 H new ATOM 0 HD2 PRO A 452 23.303 16.440 -11.386 1.00 16.73 H new ATOM 0 HD3 PRO A 452 23.685 15.553 -9.924 1.00 16.73 H new ATOM 1405 N ASP A 453 28.422 18.003 -11.141 1.00 18.57 N ATOM 1406 CA ASP A 453 29.248 18.834 -12.013 1.00 19.36 C ATOM 1407 C ASP A 453 30.682 18.916 -11.496 1.00 19.52 C ATOM 1408 O ASP A 453 30.914 19.069 -10.296 1.00 19.55 O ATOM 1409 CB ASP A 453 28.652 20.240 -12.136 1.00 19.71 C ATOM 1410 CG ASP A 453 28.445 20.914 -10.791 1.00 20.25 C ATOM 1411 OD1 ASP A 453 28.722 20.270 -9.757 1.00 20.55 O ATOM 1412 OD2 ASP A 453 28.016 22.087 -10.769 1.00 20.48 O ATOM 0 H ASP A 453 28.871 17.736 -10.265 1.00 18.57 H new ATOM 0 HA ASP A 453 29.266 18.370 -12.999 1.00 19.36 H new ATOM 0 HB2 ASP A 453 29.311 20.856 -12.748 1.00 19.71 H new ATOM 0 HB3 ASP A 453 27.697 20.180 -12.657 1.00 19.71 H new ATOM 1417 N GLN A 454 31.641 18.811 -12.411 1.00 19.77 N ATOM 1418 CA GLN A 454 33.053 18.872 -12.048 1.00 20.09 C ATOM 1419 C GLN A 454 33.398 20.229 -11.444 1.00 20.37 C ATOM 1420 O GLN A 454 32.873 21.247 -11.939 1.00 20.63 O ATOM 1421 CB GLN A 454 33.943 18.606 -13.268 1.00 20.30 C ATOM 1422 CG GLN A 454 33.752 17.227 -13.884 1.00 20.53 C ATOM 1423 CD GLN A 454 32.543 17.136 -14.802 1.00 20.93 C ATOM 1424 OE1 GLN A 454 32.155 16.046 -15.223 1.00 21.22 O ATOM 1425 NE2 GLN A 454 31.955 18.279 -15.141 1.00 21.08 N ATOM 1426 OXT GLN A 454 34.191 20.262 -10.480 1.00 20.45 O ATOM 0 H GLN A 454 31.467 18.683 -13.408 1.00 19.77 H new ATOM 0 HA GLN A 454 33.238 18.097 -11.304 1.00 20.09 H new ATOM 0 HB2 GLN A 454 33.739 19.363 -14.026 1.00 20.30 H new ATOM 0 HB3 GLN A 454 34.987 18.721 -12.976 1.00 20.30 H new ATOM 0 HG2 GLN A 454 34.647 16.962 -14.447 1.00 20.53 H new ATOM 0 HG3 GLN A 454 33.648 16.492 -13.086 1.00 20.53 H new ATOM 0 HE21 GLN A 454 32.306 19.162 -14.771 1.00 21.08 H new ATOM 0 HE22 GLN A 454 31.153 18.273 -15.771 1.00 21.08 H new TER 1435 GLN A 454