USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 692 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 50 MET CE :methyl -156:sc= 0 (180deg=-0.0416) USER MOD Set 1.2: A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 CYS SG : rot -140:sc= -1.47 USER MOD Single : A 15 LYS NZ :NH3+ -130:sc= 0 (180deg=-0.179) USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HE2:sc= 0.968 K(o=0.97,f=-3.5!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= 0.747 K(o=0.75,f=0) USER MOD Single : A 29 HIS : no HE2:sc= 0.222 K(o=0.22,f=-1.1) USER MOD Single : A 31 ASN : amide:sc= 0.0262 K(o=0.026,f=-4.5!) USER MOD Single : A 37 THR OG1 : rot -50:sc= 0.31 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 TYR OH : rot 0:sc= 0 USER MOD Single : A 47 SER OG : rot 144:sc= 1.22 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= -0.0549 X(o=-0.055,f=-0.01) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.0015 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 67 THR OG1 : rot 51:sc= 1.15 USER MOD Single : A 68 ASN : amide:sc= 0.308 K(o=0.31,f=-3.7!) USER MOD Single : A 70 LYS NZ :NH3+ -171:sc= 0.543 (180deg=0.497) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 150:sc= 0.00406 (180deg=-1.01) USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= -0.163 X(o=-0.16,f=-0.53) USER MOD Single : A 95 TYR OH : rot 17:sc= 1.25 USER MOD Single : A 99 GLN : amide:sc= 0.601 K(o=0.6,f=-0.19) USER MOD ----------------------------------------------------------------- ATOM 29 N ASP A 3 -0.344 -0.821 -4.389 1.00 0.00 N ATOM 30 CA ASP A 3 -0.919 -1.313 -5.673 1.00 0.00 C ATOM 31 C ASP A 3 -2.491 -1.207 -5.663 1.00 0.00 C ATOM 32 O ASP A 3 -3.125 -1.999 -4.955 1.00 0.00 O ATOM 33 CB ASP A 3 -0.396 -2.755 -5.913 1.00 0.00 C ATOM 34 CG ASP A 3 -0.717 -3.324 -7.297 1.00 0.00 C ATOM 35 OD1 ASP A 3 -1.848 -3.626 -7.667 1.00 0.00 O ATOM 36 OD2 ASP A 3 0.391 -3.450 -8.077 1.00 0.00 O ATOM 0 HA ASP A 3 -0.597 -0.691 -6.508 1.00 0.00 H new ATOM 0 HB2 ASP A 3 0.685 -2.764 -5.772 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -0.822 -3.413 -5.156 1.00 0.00 H new ATOM 41 N PRO A 4 -3.165 -0.307 -6.443 1.00 0.00 N ATOM 42 CA PRO A 4 -4.654 -0.227 -6.473 1.00 0.00 C ATOM 43 C PRO A 4 -5.447 -1.343 -7.234 1.00 0.00 C ATOM 44 O PRO A 4 -6.601 -1.594 -6.881 1.00 0.00 O ATOM 45 CB PRO A 4 -4.894 1.192 -7.015 1.00 0.00 C ATOM 46 CG PRO A 4 -3.643 1.609 -7.780 1.00 0.00 C ATOM 47 CD PRO A 4 -2.502 0.733 -7.254 1.00 0.00 C ATOM 0 HA PRO A 4 -5.062 -0.417 -5.480 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -5.766 1.210 -7.668 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -5.093 1.886 -6.198 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -3.778 1.468 -8.852 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -3.426 2.665 -7.623 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -1.932 0.293 -8.072 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -1.801 1.314 -6.655 1.00 0.00 H new ATOM 55 N ALA A 5 -4.850 -2.039 -8.222 1.00 0.00 N ATOM 56 CA ALA A 5 -5.426 -3.289 -8.800 1.00 0.00 C ATOM 57 C ALA A 5 -5.552 -4.489 -7.799 1.00 0.00 C ATOM 58 O ALA A 5 -6.642 -5.051 -7.656 1.00 0.00 O ATOM 59 CB ALA A 5 -4.596 -3.631 -10.052 1.00 0.00 C ATOM 0 H ALA A 5 -3.964 -1.762 -8.644 1.00 0.00 H new ATOM 0 HA ALA A 5 -6.468 -3.104 -9.063 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -4.984 -4.542 -10.508 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -4.661 -2.811 -10.767 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -3.555 -3.783 -9.768 1.00 0.00 H new ATOM 65 N ALA A 6 -4.484 -4.816 -7.040 1.00 0.00 N ATOM 66 CA ALA A 6 -4.602 -5.586 -5.771 1.00 0.00 C ATOM 67 C ALA A 6 -5.559 -4.982 -4.684 1.00 0.00 C ATOM 68 O ALA A 6 -6.348 -5.723 -4.095 1.00 0.00 O ATOM 69 CB ALA A 6 -3.169 -5.763 -5.236 1.00 0.00 C ATOM 0 H ALA A 6 -3.526 -4.561 -7.280 1.00 0.00 H new ATOM 0 HA ALA A 6 -5.085 -6.536 -5.998 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -3.196 -6.324 -4.302 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -2.572 -6.306 -5.968 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -2.723 -4.784 -5.059 1.00 0.00 H new ATOM 75 N GLY A 7 -5.543 -3.653 -4.459 1.00 0.00 N ATOM 76 CA GLY A 7 -6.539 -2.953 -3.601 1.00 0.00 C ATOM 77 C GLY A 7 -8.046 -3.105 -3.902 1.00 0.00 C ATOM 78 O GLY A 7 -8.829 -3.188 -2.957 1.00 0.00 O ATOM 0 H GLY A 7 -4.844 -3.030 -4.863 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.376 -3.285 -2.576 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.306 -1.889 -3.633 1.00 0.00 H new ATOM 82 N GLU A 8 -8.452 -3.188 -5.179 1.00 0.00 N ATOM 83 CA GLU A 8 -9.812 -3.663 -5.575 1.00 0.00 C ATOM 84 C GLU A 8 -10.190 -5.107 -5.095 1.00 0.00 C ATOM 85 O GLU A 8 -11.279 -5.304 -4.549 1.00 0.00 O ATOM 86 CB GLU A 8 -9.943 -3.481 -7.112 1.00 0.00 C ATOM 87 CG GLU A 8 -11.394 -3.604 -7.645 1.00 0.00 C ATOM 88 CD GLU A 8 -11.618 -2.946 -9.003 1.00 0.00 C ATOM 89 OE1 GLU A 8 -11.317 -3.772 -10.042 1.00 0.00 O ATOM 90 OE2 GLU A 8 -12.029 -1.795 -9.138 1.00 0.00 O ATOM 0 H GLU A 8 -7.861 -2.933 -5.970 1.00 0.00 H new ATOM 0 HA GLU A 8 -10.547 -3.053 -5.050 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -9.549 -2.502 -7.386 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -9.321 -4.225 -7.609 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -11.654 -4.660 -7.718 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -12.075 -3.157 -6.920 1.00 0.00 H new ATOM 97 N LYS A 9 -9.280 -6.088 -5.244 1.00 0.00 N ATOM 98 CA LYS A 9 -9.384 -7.424 -4.579 1.00 0.00 C ATOM 99 C LYS A 9 -9.499 -7.376 -3.011 1.00 0.00 C ATOM 100 O LYS A 9 -10.401 -8.007 -2.453 1.00 0.00 O ATOM 101 CB LYS A 9 -8.206 -8.341 -5.027 1.00 0.00 C ATOM 102 CG LYS A 9 -7.985 -8.509 -6.550 1.00 0.00 C ATOM 103 CD LYS A 9 -6.841 -9.493 -6.878 1.00 0.00 C ATOM 104 CE LYS A 9 -6.519 -9.620 -8.378 1.00 0.00 C ATOM 105 NZ LYS A 9 -7.550 -10.398 -9.098 1.00 0.00 N ATOM 0 H LYS A 9 -8.448 -5.988 -5.826 1.00 0.00 H new ATOM 0 HA LYS A 9 -10.332 -7.846 -4.913 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -7.287 -7.948 -4.593 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.364 -9.330 -4.597 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -8.907 -8.863 -7.011 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -7.761 -7.537 -6.991 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -5.942 -9.173 -6.352 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -7.103 -10.478 -6.491 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -6.441 -8.626 -8.818 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -5.549 -10.101 -8.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -7.297 -10.461 -10.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -7.607 -11.355 -8.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -8.472 -9.926 -9.001 1.00 0.00 H new ATOM 118 N VAL A 10 -8.648 -6.593 -2.309 1.00 0.00 N ATOM 119 CA VAL A 10 -8.807 -6.303 -0.842 1.00 0.00 C ATOM 120 C VAL A 10 -10.163 -5.587 -0.476 1.00 0.00 C ATOM 121 O VAL A 10 -10.830 -6.002 0.476 1.00 0.00 O ATOM 122 CB VAL A 10 -7.563 -5.544 -0.243 1.00 0.00 C ATOM 123 CG1 VAL A 10 -7.572 -5.518 1.306 1.00 0.00 C ATOM 124 CG2 VAL A 10 -6.173 -6.097 -0.640 1.00 0.00 C ATOM 0 H VAL A 10 -7.835 -6.142 -2.728 1.00 0.00 H new ATOM 0 HA VAL A 10 -8.853 -7.281 -0.364 1.00 0.00 H new ATOM 0 HB VAL A 10 -7.687 -4.553 -0.681 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -6.693 -4.983 1.666 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -8.473 -5.014 1.656 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -7.557 -6.539 1.687 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -5.395 -5.496 -0.170 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -6.084 -7.131 -0.307 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -6.060 -6.053 -1.723 1.00 0.00 H new ATOM 134 N PHE A 11 -10.599 -4.562 -1.240 1.00 0.00 N ATOM 135 CA PHE A 11 -11.960 -3.958 -1.118 1.00 0.00 C ATOM 136 C PHE A 11 -13.201 -4.903 -1.355 1.00 0.00 C ATOM 137 O PHE A 11 -14.308 -4.541 -0.948 1.00 0.00 O ATOM 138 CB PHE A 11 -11.984 -2.677 -2.009 1.00 0.00 C ATOM 139 CG PHE A 11 -13.010 -1.610 -1.582 1.00 0.00 C ATOM 140 CD1 PHE A 11 -12.653 -0.616 -0.664 1.00 0.00 C ATOM 141 CD2 PHE A 11 -14.320 -1.652 -2.069 1.00 0.00 C ATOM 142 CE1 PHE A 11 -13.603 0.296 -0.211 1.00 0.00 C ATOM 143 CE2 PHE A 11 -15.276 -0.755 -1.597 1.00 0.00 C ATOM 144 CZ PHE A 11 -14.919 0.214 -0.664 1.00 0.00 C ATOM 0 H PHE A 11 -10.024 -4.125 -1.960 1.00 0.00 H new ATOM 0 HA PHE A 11 -12.103 -3.719 -0.064 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -10.991 -2.228 -2.002 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -12.194 -2.971 -3.037 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -11.636 -0.556 -0.305 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -14.592 -2.384 -2.815 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -13.320 1.067 0.491 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -16.293 -0.812 -1.955 1.00 0.00 H new ATOM 0 HZ PHE A 11 -15.662 0.903 -0.291 1.00 0.00 H new ATOM 154 N GLY A 12 -13.042 -6.135 -1.884 1.00 0.00 N ATOM 155 CA GLY A 12 -14.029 -7.237 -1.686 1.00 0.00 C ATOM 156 C GLY A 12 -14.536 -7.548 -0.247 1.00 0.00 C ATOM 157 O GLY A 12 -15.721 -7.831 -0.068 1.00 0.00 O ATOM 0 H GLY A 12 -12.239 -6.400 -2.455 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -14.901 -7.012 -2.300 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -13.586 -8.150 -2.083 1.00 0.00 H new ATOM 161 N LYS A 13 -13.669 -7.423 0.772 1.00 0.00 N ATOM 162 CA LYS A 13 -14.095 -7.327 2.205 1.00 0.00 C ATOM 163 C LYS A 13 -14.974 -6.091 2.624 1.00 0.00 C ATOM 164 O LYS A 13 -15.745 -6.183 3.581 1.00 0.00 O ATOM 165 CB LYS A 13 -12.811 -7.378 3.083 1.00 0.00 C ATOM 166 CG LYS A 13 -12.072 -8.737 3.131 1.00 0.00 C ATOM 167 CD LYS A 13 -10.707 -8.627 3.842 1.00 0.00 C ATOM 168 CE LYS A 13 -9.932 -9.949 3.974 1.00 0.00 C ATOM 169 NZ LYS A 13 -10.499 -10.810 5.033 1.00 0.00 N ATOM 0 H LYS A 13 -12.658 -7.385 0.642 1.00 0.00 H new ATOM 0 HA LYS A 13 -14.769 -8.170 2.359 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -12.116 -6.622 2.718 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -13.080 -7.098 4.101 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -12.692 -9.469 3.648 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -11.924 -9.105 2.116 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -10.088 -7.914 3.298 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -10.866 -8.216 4.839 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -9.953 -10.480 3.022 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -8.886 -9.737 4.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -9.951 -11.692 5.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -10.456 -10.312 5.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -11.489 -11.032 4.807 1.00 0.00 H new ATOM 182 N CYS A 14 -14.828 -4.948 1.943 1.00 0.00 N ATOM 183 CA CYS A 14 -15.541 -3.680 2.258 1.00 0.00 C ATOM 184 C CYS A 14 -16.866 -3.422 1.459 1.00 0.00 C ATOM 185 O CYS A 14 -17.828 -2.903 2.033 1.00 0.00 O ATOM 186 CB CYS A 14 -14.531 -2.532 2.028 1.00 0.00 C ATOM 187 SG CYS A 14 -12.837 -2.899 2.572 1.00 0.00 S ATOM 0 H CYS A 14 -14.203 -4.865 1.141 1.00 0.00 H new ATOM 0 HA CYS A 14 -15.883 -3.745 3.291 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -14.513 -2.288 0.966 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -14.883 -1.644 2.553 1.00 0.00 H new ATOM 0 HG CYS A 14 -12.323 -1.844 3.132 1.00 0.00 H new ATOM 192 N LYS A 15 -16.914 -3.757 0.150 1.00 0.00 N ATOM 193 CA LYS A 15 -18.059 -3.450 -0.761 1.00 0.00 C ATOM 194 C LYS A 15 -19.500 -3.937 -0.394 1.00 0.00 C ATOM 195 O LYS A 15 -20.471 -3.284 -0.783 1.00 0.00 O ATOM 196 CB LYS A 15 -17.649 -3.852 -2.205 1.00 0.00 C ATOM 197 CG LYS A 15 -17.525 -5.366 -2.513 1.00 0.00 C ATOM 198 CD LYS A 15 -16.770 -5.708 -3.817 1.00 0.00 C ATOM 199 CE LYS A 15 -17.481 -5.404 -5.144 1.00 0.00 C ATOM 200 NZ LYS A 15 -17.336 -3.991 -5.550 1.00 0.00 N ATOM 0 H LYS A 15 -16.155 -4.254 -0.316 1.00 0.00 H new ATOM 0 HA LYS A 15 -18.210 -2.377 -0.643 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -18.379 -3.426 -2.894 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -16.690 -3.383 -2.426 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -17.017 -5.851 -1.679 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -18.526 -5.793 -2.568 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -15.823 -5.168 -3.810 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -16.530 -6.771 -3.799 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -17.076 -6.047 -5.926 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -18.540 -5.645 -5.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -18.270 -3.600 -5.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -16.921 -3.446 -4.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -16.714 -3.931 -6.381 1.00 0.00 H new ATOM 213 N ALA A 16 -19.650 -5.038 0.366 1.00 0.00 N ATOM 214 CA ALA A 16 -20.950 -5.419 0.986 1.00 0.00 C ATOM 215 C ALA A 16 -21.595 -4.387 1.976 1.00 0.00 C ATOM 216 O ALA A 16 -22.821 -4.247 1.983 1.00 0.00 O ATOM 217 CB ALA A 16 -20.726 -6.794 1.645 1.00 0.00 C ATOM 0 H ALA A 16 -18.889 -5.686 0.571 1.00 0.00 H new ATOM 0 HA ALA A 16 -21.698 -5.445 0.194 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -21.650 -7.126 2.118 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -20.427 -7.517 0.886 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -19.942 -6.713 2.398 1.00 0.00 H new ATOM 223 N CYS A 17 -20.793 -3.665 2.785 1.00 0.00 N ATOM 224 CA CYS A 17 -21.283 -2.528 3.609 1.00 0.00 C ATOM 225 C CYS A 17 -21.104 -1.095 2.988 1.00 0.00 C ATOM 226 O CYS A 17 -21.982 -0.248 3.177 1.00 0.00 O ATOM 227 CB CYS A 17 -20.583 -2.613 4.980 1.00 0.00 C ATOM 228 SG CYS A 17 -20.774 -4.233 5.787 1.00 0.00 S ATOM 0 H CYS A 17 -19.795 -3.847 2.889 1.00 0.00 H new ATOM 0 HA CYS A 17 -22.365 -2.639 3.681 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -19.521 -2.402 4.852 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -20.985 -1.839 5.634 1.00 0.00 H new ATOM 0 HG CYS A 17 -20.156 -4.224 6.931 1.00 0.00 H new ATOM 233 N HIS A 18 -19.964 -0.804 2.326 1.00 0.00 N ATOM 234 CA HIS A 18 -19.561 0.560 1.898 1.00 0.00 C ATOM 235 C HIS A 18 -19.585 0.706 0.346 1.00 0.00 C ATOM 236 O HIS A 18 -19.078 -0.138 -0.400 1.00 0.00 O ATOM 237 CB HIS A 18 -18.114 0.818 2.388 1.00 0.00 C ATOM 238 CG HIS A 18 -17.942 1.080 3.878 1.00 0.00 C ATOM 239 ND1 HIS A 18 -18.057 2.329 4.432 1.00 0.00 N ATOM 240 CD2 HIS A 18 -17.315 0.215 4.776 1.00 0.00 C ATOM 241 CE1 HIS A 18 -17.388 2.148 5.605 1.00 0.00 C ATOM 242 NE2 HIS A 18 -16.871 0.897 5.922 1.00 0.00 N ATOM 0 H HIS A 18 -19.284 -1.519 2.068 1.00 0.00 H new ATOM 0 HA HIS A 18 -20.265 1.276 2.323 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -17.503 -0.044 2.120 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -17.716 1.673 1.842 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -18.516 3.163 4.067 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -17.187 -0.845 4.611 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -17.260 2.975 6.288 1.00 0.00 H new ATOM 250 N LYS A 19 -20.119 1.837 -0.126 1.00 0.00 N ATOM 251 CA LYS A 19 -20.325 2.096 -1.581 1.00 0.00 C ATOM 252 C LYS A 19 -19.376 3.232 -2.089 1.00 0.00 C ATOM 253 O LYS A 19 -19.435 4.375 -1.623 1.00 0.00 O ATOM 254 CB LYS A 19 -21.819 2.446 -1.829 1.00 0.00 C ATOM 255 CG LYS A 19 -22.850 1.331 -1.521 1.00 0.00 C ATOM 256 CD LYS A 19 -24.296 1.864 -1.502 1.00 0.00 C ATOM 257 CE LYS A 19 -25.320 0.766 -1.180 1.00 0.00 C ATOM 258 NZ LYS A 19 -26.668 1.358 -1.065 1.00 0.00 N ATOM 0 H LYS A 19 -20.424 2.603 0.474 1.00 0.00 H new ATOM 0 HA LYS A 19 -20.075 1.199 -2.147 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -22.070 3.319 -1.226 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -21.933 2.737 -2.873 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -22.765 0.543 -2.269 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -22.618 0.880 -0.556 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -24.377 2.661 -0.763 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -24.531 2.304 -2.471 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -25.312 0.007 -1.962 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -25.051 0.267 -0.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -27.358 0.611 -0.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -26.672 2.066 -0.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -26.925 1.814 -1.964 1.00 0.00 H new ATOM 271 N LEU A 20 -18.526 2.921 -3.086 1.00 0.00 N ATOM 272 CA LEU A 20 -17.626 3.929 -3.735 1.00 0.00 C ATOM 273 C LEU A 20 -18.260 4.873 -4.811 1.00 0.00 C ATOM 274 O LEU A 20 -17.624 5.869 -5.161 1.00 0.00 O ATOM 275 CB LEU A 20 -16.391 3.199 -4.339 1.00 0.00 C ATOM 276 CG LEU A 20 -15.385 2.578 -3.338 1.00 0.00 C ATOM 277 CD1 LEU A 20 -14.375 1.701 -4.089 1.00 0.00 C ATOM 278 CD2 LEU A 20 -14.622 3.631 -2.515 1.00 0.00 C ATOM 0 H LEU A 20 -18.434 1.980 -3.470 1.00 0.00 H new ATOM 0 HA LEU A 20 -17.359 4.608 -2.925 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -16.752 2.405 -4.993 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -15.851 3.908 -4.967 1.00 0.00 H new ATOM 0 HG LEU A 20 -15.972 1.981 -2.640 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -13.671 1.268 -3.379 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -14.903 0.902 -4.610 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -13.832 2.309 -4.813 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -13.934 3.131 -1.833 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -14.060 4.280 -3.186 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -15.331 4.228 -1.942 1.00 0.00 H new ATOM 290 N ASP A 21 -19.480 4.633 -5.331 1.00 0.00 N ATOM 291 CA ASP A 21 -20.142 5.577 -6.288 1.00 0.00 C ATOM 292 C ASP A 21 -20.940 6.722 -5.563 1.00 0.00 C ATOM 293 O ASP A 21 -22.133 6.919 -5.805 1.00 0.00 O ATOM 294 CB ASP A 21 -21.003 4.750 -7.286 1.00 0.00 C ATOM 295 CG ASP A 21 -20.227 3.822 -8.222 1.00 0.00 C ATOM 296 OD1 ASP A 21 -19.579 4.503 -9.206 1.00 0.00 O ATOM 297 OD2 ASP A 21 -20.188 2.602 -8.096 1.00 0.00 O ATOM 0 H ASP A 21 -20.033 3.804 -5.114 1.00 0.00 H new ATOM 0 HA ASP A 21 -19.379 6.112 -6.853 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -21.712 4.150 -6.715 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -21.587 5.442 -7.893 1.00 0.00 H new ATOM 302 N GLY A 22 -20.274 7.478 -4.665 1.00 0.00 N ATOM 303 CA GLY A 22 -20.899 8.563 -3.850 1.00 0.00 C ATOM 304 C GLY A 22 -22.203 8.288 -3.047 1.00 0.00 C ATOM 305 O GLY A 22 -23.062 9.166 -2.978 1.00 0.00 O ATOM 0 H GLY A 22 -19.279 7.358 -4.477 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -20.148 8.906 -3.138 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -21.104 9.395 -4.523 1.00 0.00 H new ATOM 309 N ASN A 23 -22.346 7.091 -2.451 1.00 0.00 N ATOM 310 CA ASN A 23 -23.600 6.648 -1.771 1.00 0.00 C ATOM 311 C ASN A 23 -23.320 6.051 -0.353 1.00 0.00 C ATOM 312 O ASN A 23 -22.301 5.400 -0.105 1.00 0.00 O ATOM 313 CB ASN A 23 -24.331 5.614 -2.679 1.00 0.00 C ATOM 314 CG ASN A 23 -25.278 6.229 -3.711 1.00 0.00 C ATOM 315 OD1 ASN A 23 -26.456 6.442 -3.449 1.00 0.00 O ATOM 316 ND2 ASN A 23 -24.828 6.538 -4.900 1.00 0.00 N ATOM 0 H ASN A 23 -21.601 6.395 -2.421 1.00 0.00 H new ATOM 0 HA ASN A 23 -24.239 7.518 -1.619 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -23.584 5.017 -3.202 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -24.898 4.932 -2.046 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -25.455 6.949 -5.592 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -23.850 6.368 -5.135 1.00 0.00 H new ATOM 323 N ASP A 24 -24.255 6.269 0.584 1.00 0.00 N ATOM 324 CA ASP A 24 -24.117 5.830 2.003 1.00 0.00 C ATOM 325 C ASP A 24 -25.132 4.676 2.280 1.00 0.00 C ATOM 326 O ASP A 24 -26.347 4.895 2.229 1.00 0.00 O ATOM 327 CB ASP A 24 -24.342 7.065 2.922 1.00 0.00 C ATOM 328 CG ASP A 24 -23.200 8.086 2.922 1.00 0.00 C ATOM 329 OD1 ASP A 24 -23.207 8.888 1.820 1.00 0.00 O ATOM 330 OD2 ASP A 24 -22.348 8.151 3.801 1.00 0.00 O ATOM 0 H ASP A 24 -25.132 6.753 0.391 1.00 0.00 H new ATOM 0 HA ASP A 24 -23.121 5.438 2.209 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -25.259 7.567 2.613 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -24.498 6.716 3.943 1.00 0.00 H new ATOM 335 N GLY A 25 -24.637 3.451 2.542 1.00 0.00 N ATOM 336 CA GLY A 25 -25.508 2.255 2.720 1.00 0.00 C ATOM 337 C GLY A 25 -25.545 1.736 4.169 1.00 0.00 C ATOM 338 O GLY A 25 -26.142 2.370 5.043 1.00 0.00 O ATOM 0 H GLY A 25 -23.640 3.255 2.637 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -26.522 2.503 2.405 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -25.156 1.458 2.065 1.00 0.00 H new ATOM 342 N VAL A 26 -24.901 0.587 4.425 1.00 0.00 N ATOM 343 CA VAL A 26 -24.684 0.076 5.822 1.00 0.00 C ATOM 344 C VAL A 26 -23.510 0.852 6.517 1.00 0.00 C ATOM 345 O VAL A 26 -23.717 1.422 7.590 1.00 0.00 O ATOM 346 CB VAL A 26 -24.525 -1.485 5.869 1.00 0.00 C ATOM 347 CG1 VAL A 26 -24.330 -2.049 7.298 1.00 0.00 C ATOM 348 CG2 VAL A 26 -25.705 -2.263 5.239 1.00 0.00 C ATOM 0 H VAL A 26 -24.516 -0.016 3.698 1.00 0.00 H new ATOM 0 HA VAL A 26 -25.583 0.280 6.404 1.00 0.00 H new ATOM 0 HB VAL A 26 -23.624 -1.641 5.276 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -24.227 -3.133 7.250 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -23.431 -1.618 7.740 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -25.194 -1.793 7.911 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -25.516 -3.334 5.313 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -26.626 -2.020 5.769 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -25.806 -1.984 4.190 1.00 0.00 H new ATOM 358 N GLY A 27 -22.311 0.898 5.906 1.00 0.00 N ATOM 359 CA GLY A 27 -21.317 1.957 6.205 1.00 0.00 C ATOM 360 C GLY A 27 -21.393 3.208 5.272 1.00 0.00 C ATOM 361 O GLY A 27 -22.052 3.156 4.224 1.00 0.00 O ATOM 0 H GLY A 27 -22.005 0.221 5.207 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -21.452 2.282 7.237 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -20.317 1.528 6.134 1.00 0.00 H new ATOM 365 N PRO A 28 -20.712 4.349 5.582 1.00 0.00 N ATOM 366 CA PRO A 28 -20.738 5.563 4.716 1.00 0.00 C ATOM 367 C PRO A 28 -20.012 5.435 3.334 1.00 0.00 C ATOM 368 O PRO A 28 -19.356 4.433 3.029 1.00 0.00 O ATOM 369 CB PRO A 28 -20.098 6.612 5.655 1.00 0.00 C ATOM 370 CG PRO A 28 -19.154 5.810 6.548 1.00 0.00 C ATOM 371 CD PRO A 28 -19.942 4.537 6.827 1.00 0.00 C ATOM 0 HA PRO A 28 -21.743 5.807 4.373 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -19.558 7.372 5.090 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -20.855 7.130 6.244 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -18.209 5.598 6.048 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -18.915 6.346 7.467 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -19.285 3.691 7.028 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -20.594 4.647 7.693 1.00 0.00 H new ATOM 379 N HIS A 29 -20.103 6.486 2.499 1.00 0.00 N ATOM 380 CA HIS A 29 -19.371 6.545 1.203 1.00 0.00 C ATOM 381 C HIS A 29 -17.827 6.674 1.415 1.00 0.00 C ATOM 382 O HIS A 29 -17.358 7.693 1.930 1.00 0.00 O ATOM 383 CB HIS A 29 -19.981 7.649 0.288 1.00 0.00 C ATOM 384 CG HIS A 29 -19.724 9.128 0.599 1.00 0.00 C ATOM 385 ND1 HIS A 29 -20.471 9.876 1.500 1.00 0.00 N ATOM 386 CD2 HIS A 29 -18.756 9.930 -0.033 1.00 0.00 C ATOM 387 CE1 HIS A 29 -19.857 11.093 1.330 1.00 0.00 C ATOM 388 NE2 HIS A 29 -18.818 11.222 0.450 1.00 0.00 N ATOM 0 H HIS A 29 -20.674 7.309 2.691 1.00 0.00 H new ATOM 0 HA HIS A 29 -19.502 5.600 0.677 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -19.625 7.464 -0.725 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -21.061 7.502 0.278 1.00 0.00 H new ATOM 0 HD1 HIS A 29 -21.244 9.603 2.107 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -18.064 9.585 -0.787 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -20.196 11.950 1.893 1.00 0.00 H new ATOM 396 N LEU A 30 -17.028 5.660 1.044 1.00 0.00 N ATOM 397 CA LEU A 30 -15.533 5.742 1.170 1.00 0.00 C ATOM 398 C LEU A 30 -14.761 6.502 0.038 1.00 0.00 C ATOM 399 O LEU A 30 -13.550 6.704 0.169 1.00 0.00 O ATOM 400 CB LEU A 30 -14.935 4.329 1.421 1.00 0.00 C ATOM 401 CG LEU A 30 -15.286 3.646 2.765 1.00 0.00 C ATOM 402 CD1 LEU A 30 -14.698 2.227 2.805 1.00 0.00 C ATOM 403 CD2 LEU A 30 -14.802 4.414 4.009 1.00 0.00 C ATOM 0 H LEU A 30 -17.369 4.780 0.658 1.00 0.00 H new ATOM 0 HA LEU A 30 -15.375 6.385 2.036 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -15.262 3.674 0.613 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -13.850 4.403 1.352 1.00 0.00 H new ATOM 0 HG LEU A 30 -16.375 3.627 2.806 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -14.951 1.755 3.755 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -15.112 1.639 1.986 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -13.614 2.279 2.703 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -15.088 3.868 4.908 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -13.717 4.514 3.975 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -15.258 5.404 4.025 1.00 0.00 H new ATOM 415 N ASN A 31 -15.430 6.979 -1.027 1.00 0.00 N ATOM 416 CA ASN A 31 -14.798 7.799 -2.091 1.00 0.00 C ATOM 417 C ASN A 31 -14.421 9.230 -1.589 1.00 0.00 C ATOM 418 O ASN A 31 -15.276 10.014 -1.160 1.00 0.00 O ATOM 419 CB ASN A 31 -15.654 7.775 -3.383 1.00 0.00 C ATOM 420 CG ASN A 31 -17.076 8.343 -3.293 1.00 0.00 C ATOM 421 OD1 ASN A 31 -17.935 7.789 -2.614 1.00 0.00 O ATOM 422 ND2 ASN A 31 -17.381 9.434 -3.955 1.00 0.00 N ATOM 0 H ASN A 31 -16.424 6.810 -1.180 1.00 0.00 H new ATOM 0 HA ASN A 31 -13.842 7.348 -2.356 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -15.118 8.328 -4.154 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -15.724 6.742 -3.723 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -18.326 9.815 -3.903 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -16.673 9.901 -4.522 1.00 0.00 H new ATOM 429 N GLY A 32 -13.112 9.508 -1.538 1.00 0.00 N ATOM 430 CA GLY A 32 -12.575 10.707 -0.835 1.00 0.00 C ATOM 431 C GLY A 32 -12.530 10.638 0.710 1.00 0.00 C ATOM 432 O GLY A 32 -12.847 11.627 1.374 1.00 0.00 O ATOM 0 H GLY A 32 -12.395 8.926 -1.972 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -11.564 10.891 -1.198 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -13.178 11.569 -1.121 1.00 0.00 H new ATOM 436 N VAL A 33 -12.157 9.479 1.278 1.00 0.00 N ATOM 437 CA VAL A 33 -11.902 9.322 2.748 1.00 0.00 C ATOM 438 C VAL A 33 -10.437 9.663 3.212 1.00 0.00 C ATOM 439 O VAL A 33 -10.260 10.084 4.356 1.00 0.00 O ATOM 440 CB VAL A 33 -12.429 7.926 3.232 1.00 0.00 C ATOM 441 CG1 VAL A 33 -11.552 6.724 2.818 1.00 0.00 C ATOM 442 CG2 VAL A 33 -12.667 7.863 4.758 1.00 0.00 C ATOM 0 H VAL A 33 -12.020 8.619 0.747 1.00 0.00 H new ATOM 0 HA VAL A 33 -12.478 10.093 3.259 1.00 0.00 H new ATOM 0 HB VAL A 33 -13.382 7.836 2.710 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -11.995 5.803 3.197 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -11.490 6.676 1.731 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -10.552 6.843 3.234 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -13.031 6.872 5.029 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -11.731 8.061 5.281 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -13.407 8.611 5.042 1.00 0.00 H new ATOM 452 N VAL A 34 -9.397 9.494 2.368 1.00 0.00 N ATOM 453 CA VAL A 34 -7.968 9.737 2.747 1.00 0.00 C ATOM 454 C VAL A 34 -7.711 11.281 2.891 1.00 0.00 C ATOM 455 O VAL A 34 -7.781 12.030 1.913 1.00 0.00 O ATOM 456 CB VAL A 34 -6.989 9.025 1.744 1.00 0.00 C ATOM 457 CG1 VAL A 34 -5.505 9.159 2.161 1.00 0.00 C ATOM 458 CG2 VAL A 34 -7.252 7.509 1.553 1.00 0.00 C ATOM 0 H VAL A 34 -9.513 9.186 1.403 1.00 0.00 H new ATOM 0 HA VAL A 34 -7.764 9.290 3.720 1.00 0.00 H new ATOM 0 HB VAL A 34 -7.188 9.548 0.808 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.875 8.649 1.433 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -5.232 10.214 2.201 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -5.361 8.709 3.143 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -6.530 7.101 0.845 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -7.150 6.998 2.511 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -8.261 7.360 1.169 1.00 0.00 H new ATOM 468 N GLY A 35 -7.475 11.746 4.130 1.00 0.00 N ATOM 469 CA GLY A 35 -7.560 13.195 4.479 1.00 0.00 C ATOM 470 C GLY A 35 -8.889 13.749 5.067 1.00 0.00 C ATOM 471 O GLY A 35 -8.883 14.875 5.568 1.00 0.00 O ATOM 0 H GLY A 35 -7.223 11.146 4.916 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -6.768 13.408 5.197 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -7.335 13.765 3.577 1.00 0.00 H new ATOM 475 N ARG A 36 -10.008 13.007 5.028 1.00 0.00 N ATOM 476 CA ARG A 36 -11.353 13.499 5.443 1.00 0.00 C ATOM 477 C ARG A 36 -11.549 13.505 6.991 1.00 0.00 C ATOM 478 O ARG A 36 -11.107 12.585 7.682 1.00 0.00 O ATOM 479 CB ARG A 36 -12.386 12.559 4.767 1.00 0.00 C ATOM 480 CG ARG A 36 -13.862 13.035 4.817 1.00 0.00 C ATOM 481 CD ARG A 36 -14.895 11.905 4.718 1.00 0.00 C ATOM 482 NE ARG A 36 -14.969 11.335 3.348 1.00 0.00 N ATOM 483 CZ ARG A 36 -15.708 10.287 2.996 1.00 0.00 C ATOM 484 NH1 ARG A 36 -16.443 9.594 3.827 1.00 0.00 N ATOM 485 NH2 ARG A 36 -15.705 9.912 1.758 1.00 0.00 N ATOM 0 H ARG A 36 -10.016 12.039 4.706 1.00 0.00 H new ATOM 0 HA ARG A 36 -11.476 14.537 5.133 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -12.101 12.427 3.723 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -12.323 11.579 5.241 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -14.024 13.579 5.747 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -14.032 13.739 4.002 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -14.638 11.116 5.425 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -15.875 12.284 5.006 1.00 0.00 H new ATOM 0 HE ARG A 36 -14.410 11.782 2.621 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -16.473 9.848 4.815 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -16.986 8.800 3.487 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -15.143 10.418 1.073 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -16.265 9.111 1.467 1.00 0.00 H new ATOM 499 N THR A 37 -12.279 14.500 7.527 1.00 0.00 N ATOM 500 CA THR A 37 -12.623 14.578 8.979 1.00 0.00 C ATOM 501 C THR A 37 -13.373 13.313 9.533 1.00 0.00 C ATOM 502 O THR A 37 -14.262 12.747 8.886 1.00 0.00 O ATOM 503 CB THR A 37 -13.363 15.927 9.241 1.00 0.00 C ATOM 504 OG1 THR A 37 -12.549 17.022 8.821 1.00 0.00 O ATOM 505 CG2 THR A 37 -13.699 16.219 10.713 1.00 0.00 C ATOM 0 H THR A 37 -12.651 15.275 6.978 1.00 0.00 H new ATOM 0 HA THR A 37 -11.699 14.569 9.557 1.00 0.00 H new ATOM 0 HB THR A 37 -14.294 15.823 8.683 1.00 0.00 H new ATOM 0 HG1 THR A 37 -11.649 16.924 9.197 1.00 0.00 H new ATOM 0 HG21 THR A 37 -14.211 17.178 10.786 1.00 0.00 H new ATOM 0 HG22 THR A 37 -14.345 15.432 11.102 1.00 0.00 H new ATOM 0 HG23 THR A 37 -12.779 16.254 11.296 1.00 0.00 H new ATOM 513 N VAL A 38 -12.984 12.873 10.742 1.00 0.00 N ATOM 514 CA VAL A 38 -13.582 11.685 11.423 1.00 0.00 C ATOM 515 C VAL A 38 -15.045 12.012 11.886 1.00 0.00 C ATOM 516 O VAL A 38 -15.293 13.026 12.546 1.00 0.00 O ATOM 517 CB VAL A 38 -12.653 11.206 12.590 1.00 0.00 C ATOM 518 CG1 VAL A 38 -13.205 9.989 13.362 1.00 0.00 C ATOM 519 CG2 VAL A 38 -11.213 10.825 12.160 1.00 0.00 C ATOM 0 H VAL A 38 -12.247 13.323 11.284 1.00 0.00 H new ATOM 0 HA VAL A 38 -13.655 10.851 10.725 1.00 0.00 H new ATOM 0 HB VAL A 38 -12.626 12.092 13.225 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -12.509 9.714 14.154 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -14.171 10.243 13.799 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -13.326 9.149 12.678 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -10.645 10.506 13.034 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -11.253 10.011 11.436 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -10.728 11.690 11.707 1.00 0.00 H new ATOM 529 N ALA A 39 -16.011 11.171 11.466 1.00 0.00 N ATOM 530 CA ALA A 39 -17.466 11.522 11.448 1.00 0.00 C ATOM 531 C ALA A 39 -17.938 12.689 10.497 1.00 0.00 C ATOM 532 O ALA A 39 -19.062 13.181 10.633 1.00 0.00 O ATOM 533 CB ALA A 39 -18.027 11.616 12.887 1.00 0.00 C ATOM 0 H ALA A 39 -15.817 10.228 11.128 1.00 0.00 H new ATOM 0 HA ALA A 39 -17.930 10.676 10.941 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -19.086 11.872 12.849 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -17.904 10.656 13.389 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -17.487 12.386 13.438 1.00 0.00 H new ATOM 539 N GLY A 40 -17.144 13.081 9.479 1.00 0.00 N ATOM 540 CA GLY A 40 -17.467 14.215 8.570 1.00 0.00 C ATOM 541 C GLY A 40 -18.269 13.870 7.298 1.00 0.00 C ATOM 542 O GLY A 40 -17.862 14.217 6.188 1.00 0.00 O ATOM 0 H GLY A 40 -16.259 12.624 9.259 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -18.029 14.957 9.137 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -16.532 14.686 8.267 1.00 0.00 H new ATOM 546 N VAL A 41 -19.430 13.233 7.487 1.00 0.00 N ATOM 547 CA VAL A 41 -20.473 13.085 6.427 1.00 0.00 C ATOM 548 C VAL A 41 -21.836 13.475 7.082 1.00 0.00 C ATOM 549 O VAL A 41 -22.460 12.667 7.780 1.00 0.00 O ATOM 550 CB VAL A 41 -20.496 11.665 5.753 1.00 0.00 C ATOM 551 CG1 VAL A 41 -21.614 11.515 4.692 1.00 0.00 C ATOM 552 CG2 VAL A 41 -19.168 11.279 5.065 1.00 0.00 C ATOM 0 H VAL A 41 -19.687 12.800 8.374 1.00 0.00 H new ATOM 0 HA VAL A 41 -20.247 13.747 5.591 1.00 0.00 H new ATOM 0 HB VAL A 41 -20.679 10.997 6.595 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -21.577 10.513 4.264 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -22.585 11.673 5.162 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -21.468 12.253 3.903 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -19.262 10.287 4.624 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -18.939 12.004 4.284 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -18.365 11.274 5.802 1.00 0.00 H new ATOM 562 N ASP A 42 -22.326 14.700 6.807 1.00 0.00 N ATOM 563 CA ASP A 42 -23.666 15.161 7.272 1.00 0.00 C ATOM 564 C ASP A 42 -24.796 14.486 6.426 1.00 0.00 C ATOM 565 O ASP A 42 -25.022 14.829 5.262 1.00 0.00 O ATOM 566 CB ASP A 42 -23.741 16.711 7.209 1.00 0.00 C ATOM 567 CG ASP A 42 -22.812 17.454 8.173 1.00 0.00 C ATOM 568 OD1 ASP A 42 -23.391 17.673 9.391 1.00 0.00 O ATOM 569 OD2 ASP A 42 -21.674 17.801 7.872 1.00 0.00 O ATOM 0 H ASP A 42 -21.817 15.397 6.263 1.00 0.00 H new ATOM 0 HA ASP A 42 -23.815 14.862 8.310 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -23.510 17.028 6.192 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -24.767 17.017 7.412 1.00 0.00 H new ATOM 574 N GLY A 43 -25.437 13.465 7.009 1.00 0.00 N ATOM 575 CA GLY A 43 -26.159 12.431 6.222 1.00 0.00 C ATOM 576 C GLY A 43 -26.090 11.015 6.834 1.00 0.00 C ATOM 577 O GLY A 43 -27.132 10.383 7.011 1.00 0.00 O ATOM 0 H GLY A 43 -25.476 13.324 8.018 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -27.204 12.725 6.128 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -25.745 12.401 5.214 1.00 0.00 H new ATOM 581 N PHE A 44 -24.880 10.516 7.155 1.00 0.00 N ATOM 582 CA PHE A 44 -24.721 9.235 7.897 1.00 0.00 C ATOM 583 C PHE A 44 -24.764 9.473 9.446 1.00 0.00 C ATOM 584 O PHE A 44 -24.049 10.325 9.986 1.00 0.00 O ATOM 585 CB PHE A 44 -23.411 8.545 7.418 1.00 0.00 C ATOM 586 CG PHE A 44 -23.259 7.091 7.904 1.00 0.00 C ATOM 587 CD1 PHE A 44 -23.812 6.037 7.169 1.00 0.00 C ATOM 588 CD2 PHE A 44 -22.641 6.820 9.129 1.00 0.00 C ATOM 589 CE1 PHE A 44 -23.766 4.736 7.664 1.00 0.00 C ATOM 590 CE2 PHE A 44 -22.602 5.522 9.627 1.00 0.00 C ATOM 591 CZ PHE A 44 -23.165 4.479 8.894 1.00 0.00 C ATOM 0 H PHE A 44 -23.999 10.972 6.917 1.00 0.00 H new ATOM 0 HA PHE A 44 -25.554 8.565 7.683 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -23.382 8.559 6.328 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -22.557 9.126 7.767 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -24.276 6.233 6.214 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -22.191 7.624 9.692 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -24.197 3.926 7.094 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -22.136 5.323 10.581 1.00 0.00 H new ATOM 0 HZ PHE A 44 -23.135 3.471 9.280 1.00 0.00 H new ATOM 601 N ASN A 45 -25.576 8.677 10.164 1.00 0.00 N ATOM 602 CA ASN A 45 -25.673 8.750 11.649 1.00 0.00 C ATOM 603 C ASN A 45 -24.532 7.933 12.346 1.00 0.00 C ATOM 604 O ASN A 45 -24.697 6.754 12.666 1.00 0.00 O ATOM 605 CB ASN A 45 -27.107 8.285 12.027 1.00 0.00 C ATOM 606 CG ASN A 45 -27.498 8.512 13.482 1.00 0.00 C ATOM 607 OD1 ASN A 45 -27.965 9.574 13.875 1.00 0.00 O ATOM 608 ND2 ASN A 45 -27.326 7.534 14.328 1.00 0.00 N ATOM 0 H ASN A 45 -26.181 7.970 9.746 1.00 0.00 H new ATOM 0 HA ASN A 45 -25.522 9.767 12.010 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -27.821 8.806 11.390 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -27.198 7.222 11.804 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -27.580 7.657 15.308 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -26.938 6.646 14.009 1.00 0.00 H new ATOM 615 N TYR A 46 -23.393 8.590 12.610 1.00 0.00 N ATOM 616 CA TYR A 46 -22.213 7.955 13.263 1.00 0.00 C ATOM 617 C TYR A 46 -22.397 7.675 14.792 1.00 0.00 C ATOM 618 O TYR A 46 -23.124 8.391 15.490 1.00 0.00 O ATOM 619 CB TYR A 46 -20.980 8.885 13.046 1.00 0.00 C ATOM 620 CG TYR A 46 -20.455 8.974 11.605 1.00 0.00 C ATOM 621 CD1 TYR A 46 -19.577 8.002 11.118 1.00 0.00 C ATOM 622 CD2 TYR A 46 -20.855 10.020 10.767 1.00 0.00 C ATOM 623 CE1 TYR A 46 -19.101 8.079 9.813 1.00 0.00 C ATOM 624 CE2 TYR A 46 -20.383 10.090 9.460 1.00 0.00 C ATOM 625 CZ TYR A 46 -19.499 9.126 8.984 1.00 0.00 C ATOM 626 OH TYR A 46 -19.012 9.230 7.708 1.00 0.00 O ATOM 0 H TYR A 46 -23.253 9.574 12.382 1.00 0.00 H new ATOM 0 HA TYR A 46 -22.076 6.978 12.800 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -21.243 9.889 13.380 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -20.170 8.538 13.687 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -19.267 7.188 11.757 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -21.533 10.776 11.136 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -18.422 7.326 9.442 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -20.703 10.894 8.814 1.00 0.00 H new ATOM 0 HH TYR A 46 -18.394 8.490 7.533 1.00 0.00 H new ATOM 636 N SER A 47 -21.674 6.672 15.332 1.00 0.00 N ATOM 637 CA SER A 47 -21.627 6.433 16.804 1.00 0.00 C ATOM 638 C SER A 47 -20.901 7.564 17.607 1.00 0.00 C ATOM 639 O SER A 47 -19.931 8.169 17.135 1.00 0.00 O ATOM 640 CB SER A 47 -21.050 5.023 17.103 1.00 0.00 C ATOM 641 OG SER A 47 -19.620 4.962 17.093 1.00 0.00 O ATOM 0 H SER A 47 -21.117 6.016 14.784 1.00 0.00 H new ATOM 0 HA SER A 47 -22.655 6.466 17.164 1.00 0.00 H new ATOM 0 HB2 SER A 47 -21.410 4.694 18.078 1.00 0.00 H new ATOM 0 HB3 SER A 47 -21.438 4.320 16.366 1.00 0.00 H new ATOM 0 HG SER A 47 -19.314 4.335 17.782 1.00 0.00 H new ATOM 647 N ASP A 48 -21.359 7.820 18.847 1.00 0.00 N ATOM 648 CA ASP A 48 -20.728 8.822 19.760 1.00 0.00 C ATOM 649 C ASP A 48 -19.176 8.690 19.994 1.00 0.00 C ATOM 650 O ASP A 48 -18.523 9.733 19.900 1.00 0.00 O ATOM 651 CB ASP A 48 -21.528 8.917 21.087 1.00 0.00 C ATOM 652 CG ASP A 48 -22.930 9.508 20.939 1.00 0.00 C ATOM 653 OD1 ASP A 48 -22.912 10.864 20.825 1.00 0.00 O ATOM 654 OD2 ASP A 48 -23.952 8.832 20.900 1.00 0.00 O ATOM 0 H ASP A 48 -22.168 7.349 19.252 1.00 0.00 H new ATOM 0 HA ASP A 48 -20.794 9.768 19.223 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -21.611 7.920 21.519 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -20.964 9.525 21.794 1.00 0.00 H new ATOM 659 N PRO A 49 -18.520 7.509 20.207 1.00 0.00 N ATOM 660 CA PRO A 49 -17.033 7.381 20.149 1.00 0.00 C ATOM 661 C PRO A 49 -16.291 7.799 18.841 1.00 0.00 C ATOM 662 O PRO A 49 -15.200 8.365 18.926 1.00 0.00 O ATOM 663 CB PRO A 49 -16.807 5.900 20.508 1.00 0.00 C ATOM 664 CG PRO A 49 -18.082 5.462 21.226 1.00 0.00 C ATOM 665 CD PRO A 49 -19.193 6.243 20.543 1.00 0.00 C ATOM 0 HA PRO A 49 -16.586 8.108 20.827 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -16.633 5.301 19.614 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -15.933 5.779 21.148 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -18.239 4.387 21.135 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -18.035 5.688 22.291 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -19.565 5.731 19.655 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -20.047 6.398 21.202 1.00 0.00 H new ATOM 673 N MET A 50 -16.872 7.569 17.646 1.00 0.00 N ATOM 674 CA MET A 50 -16.383 8.199 16.382 1.00 0.00 C ATOM 675 C MET A 50 -16.481 9.766 16.351 1.00 0.00 C ATOM 676 O MET A 50 -15.520 10.434 15.957 1.00 0.00 O ATOM 677 CB MET A 50 -17.121 7.516 15.198 1.00 0.00 C ATOM 678 CG MET A 50 -16.514 7.788 13.806 1.00 0.00 C ATOM 679 SD MET A 50 -14.884 7.029 13.654 1.00 0.00 S ATOM 680 CE MET A 50 -15.325 5.376 13.093 1.00 0.00 C ATOM 0 H MET A 50 -17.677 6.956 17.520 1.00 0.00 H new ATOM 0 HA MET A 50 -15.309 8.029 16.303 1.00 0.00 H new ATOM 0 HB2 MET A 50 -17.132 6.440 15.369 1.00 0.00 H new ATOM 0 HB3 MET A 50 -18.159 7.849 15.196 1.00 0.00 H new ATOM 0 HG2 MET A 50 -17.176 7.396 13.034 1.00 0.00 H new ATOM 0 HG3 MET A 50 -16.436 8.863 13.643 1.00 0.00 H new ATOM 0 HE1 MET A 50 -14.528 4.679 13.353 1.00 0.00 H new ATOM 0 HE2 MET A 50 -16.252 5.064 13.574 1.00 0.00 H new ATOM 0 HE3 MET A 50 -15.462 5.383 12.012 1.00 0.00 H new ATOM 690 N LYS A 51 -17.611 10.340 16.804 1.00 0.00 N ATOM 691 CA LYS A 51 -17.775 11.815 16.977 1.00 0.00 C ATOM 692 C LYS A 51 -16.858 12.453 18.081 1.00 0.00 C ATOM 693 O LYS A 51 -16.221 13.476 17.818 1.00 0.00 O ATOM 694 CB LYS A 51 -19.279 12.137 17.214 1.00 0.00 C ATOM 695 CG LYS A 51 -20.239 11.777 16.049 1.00 0.00 C ATOM 696 CD LYS A 51 -21.713 12.178 16.258 1.00 0.00 C ATOM 697 CE LYS A 51 -22.426 11.403 17.379 1.00 0.00 C ATOM 698 NZ LYS A 51 -23.864 11.725 17.403 1.00 0.00 N ATOM 0 H LYS A 51 -18.440 9.805 17.063 1.00 0.00 H new ATOM 0 HA LYS A 51 -17.434 12.282 16.053 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -19.608 11.607 18.108 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -19.374 13.203 17.422 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -19.875 12.256 15.140 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -20.193 10.701 15.882 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -21.759 13.244 16.483 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -22.255 12.025 15.325 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -22.291 10.332 17.230 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -21.977 11.650 18.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -24.327 11.192 18.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -23.989 12.744 17.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -24.293 11.467 16.491 1.00 0.00 H new ATOM 711 N ALA A 52 -16.766 11.855 19.286 1.00 0.00 N ATOM 712 CA ALA A 52 -15.829 12.300 20.358 1.00 0.00 C ATOM 713 C ALA A 52 -14.292 12.088 20.149 1.00 0.00 C ATOM 714 O ALA A 52 -13.495 12.819 20.741 1.00 0.00 O ATOM 715 CB ALA A 52 -16.324 11.640 21.658 1.00 0.00 C ATOM 0 H ALA A 52 -17.335 11.051 19.551 1.00 0.00 H new ATOM 0 HA ALA A 52 -15.870 13.389 20.368 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -15.674 11.930 22.484 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -17.343 11.966 21.867 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -16.306 10.556 21.545 1.00 0.00 H new ATOM 721 N HIS A 53 -13.879 11.137 19.297 1.00 0.00 N ATOM 722 CA HIS A 53 -12.484 11.040 18.778 1.00 0.00 C ATOM 723 C HIS A 53 -12.048 12.283 17.924 1.00 0.00 C ATOM 724 O HIS A 53 -11.126 12.996 18.328 1.00 0.00 O ATOM 725 CB HIS A 53 -12.347 9.654 18.079 1.00 0.00 C ATOM 726 CG HIS A 53 -11.020 9.328 17.377 1.00 0.00 C ATOM 727 ND1 HIS A 53 -9.765 9.808 17.735 1.00 0.00 N ATOM 728 CD2 HIS A 53 -10.939 8.599 16.182 1.00 0.00 C ATOM 729 CE1 HIS A 53 -9.040 9.355 16.662 1.00 0.00 C ATOM 730 NE2 HIS A 53 -9.646 8.596 15.696 1.00 0.00 N ATOM 0 H HIS A 53 -14.496 10.407 18.941 1.00 0.00 H new ATOM 0 HA HIS A 53 -11.763 11.081 19.594 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -12.526 8.883 18.828 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -13.144 9.572 17.340 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -11.774 8.107 15.706 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -7.991 9.597 16.579 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -9.256 8.157 14.862 1.00 0.00 H new ATOM 738 N GLY A 54 -12.680 12.536 16.761 1.00 0.00 N ATOM 739 CA GLY A 54 -12.266 13.651 15.868 1.00 0.00 C ATOM 740 C GLY A 54 -10.928 13.458 15.108 1.00 0.00 C ATOM 741 O GLY A 54 -10.428 12.343 14.933 1.00 0.00 O ATOM 0 H GLY A 54 -13.471 11.993 16.415 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -13.056 13.814 15.135 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -12.193 14.560 16.466 1.00 0.00 H new ATOM 745 N GLY A 55 -10.377 14.570 14.600 1.00 0.00 N ATOM 746 CA GLY A 55 -9.225 14.522 13.657 1.00 0.00 C ATOM 747 C GLY A 55 -9.607 14.278 12.175 1.00 0.00 C ATOM 748 O GLY A 55 -10.772 14.395 11.785 1.00 0.00 O ATOM 0 H GLY A 55 -10.700 15.513 14.818 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -8.678 15.462 13.726 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -8.545 13.733 13.977 1.00 0.00 H new ATOM 752 N ASP A 56 -8.610 13.926 11.347 1.00 0.00 N ATOM 753 CA ASP A 56 -8.835 13.541 9.920 1.00 0.00 C ATOM 754 C ASP A 56 -8.179 12.160 9.589 1.00 0.00 C ATOM 755 O ASP A 56 -7.194 11.729 10.201 1.00 0.00 O ATOM 756 CB ASP A 56 -8.347 14.658 8.949 1.00 0.00 C ATOM 757 CG ASP A 56 -9.231 15.917 8.851 1.00 0.00 C ATOM 758 OD1 ASP A 56 -9.697 16.508 9.822 1.00 0.00 O ATOM 759 OD2 ASP A 56 -9.469 16.302 7.560 1.00 0.00 O ATOM 0 H ASP A 56 -7.631 13.896 11.631 1.00 0.00 H new ATOM 0 HA ASP A 56 -9.909 13.430 9.774 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -7.348 14.966 9.257 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -8.255 14.227 7.952 1.00 0.00 H new ATOM 764 N TRP A 57 -8.731 11.474 8.572 1.00 0.00 N ATOM 765 CA TRP A 57 -8.323 10.093 8.196 1.00 0.00 C ATOM 766 C TRP A 57 -7.041 10.055 7.308 1.00 0.00 C ATOM 767 O TRP A 57 -7.074 9.795 6.102 1.00 0.00 O ATOM 768 CB TRP A 57 -9.534 9.384 7.524 1.00 0.00 C ATOM 769 CG TRP A 57 -10.627 8.848 8.453 1.00 0.00 C ATOM 770 CD1 TRP A 57 -11.978 9.245 8.430 1.00 0.00 C ATOM 771 CD2 TRP A 57 -10.535 7.882 9.444 1.00 0.00 C ATOM 772 NE1 TRP A 57 -12.738 8.545 9.384 1.00 0.00 N ATOM 773 CE2 TRP A 57 -11.824 7.714 10.006 1.00 0.00 C ATOM 774 CE3 TRP A 57 -9.426 7.165 9.969 1.00 0.00 C ATOM 775 CZ2 TRP A 57 -12.012 6.854 11.111 1.00 0.00 C ATOM 776 CZ3 TRP A 57 -9.636 6.322 11.060 1.00 0.00 C ATOM 777 CH2 TRP A 57 -10.909 6.174 11.627 1.00 0.00 C ATOM 0 H TRP A 57 -9.472 11.854 7.983 1.00 0.00 H new ATOM 0 HA TRP A 57 -8.044 9.552 9.100 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -9.994 10.086 6.828 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -9.154 8.551 6.932 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -12.380 9.993 7.763 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -13.736 8.631 9.574 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -8.443 7.270 9.533 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -12.991 6.726 11.548 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -8.803 5.774 11.475 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -11.038 5.522 12.478 1.00 0.00 H new ATOM 788 N THR A 58 -5.888 10.266 7.950 1.00 0.00 N ATOM 789 CA THR A 58 -4.545 10.108 7.319 1.00 0.00 C ATOM 790 C THR A 58 -4.201 8.611 6.963 1.00 0.00 C ATOM 791 O THR A 58 -4.761 7.710 7.601 1.00 0.00 O ATOM 792 CB THR A 58 -3.461 10.736 8.260 1.00 0.00 C ATOM 793 OG1 THR A 58 -3.461 10.128 9.547 1.00 0.00 O ATOM 794 CG2 THR A 58 -3.584 12.255 8.474 1.00 0.00 C ATOM 0 H THR A 58 -5.844 10.553 8.928 1.00 0.00 H new ATOM 0 HA THR A 58 -4.557 10.637 6.366 1.00 0.00 H new ATOM 0 HB THR A 58 -2.530 10.544 7.726 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.771 10.544 10.105 1.00 0.00 H new ATOM 0 HG21 THR A 58 -2.790 12.594 9.139 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.497 12.766 7.515 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.552 12.482 8.920 1.00 0.00 H new ATOM 802 N PRO A 59 -3.285 8.269 6.002 1.00 0.00 N ATOM 803 CA PRO A 59 -2.844 6.855 5.771 1.00 0.00 C ATOM 804 C PRO A 59 -2.374 6.037 7.020 1.00 0.00 C ATOM 805 O PRO A 59 -2.848 4.922 7.245 1.00 0.00 O ATOM 806 CB PRO A 59 -1.764 7.015 4.682 1.00 0.00 C ATOM 807 CG PRO A 59 -1.323 8.478 4.720 1.00 0.00 C ATOM 808 CD PRO A 59 -2.575 9.243 5.144 1.00 0.00 C ATOM 0 HA PRO A 59 -3.687 6.229 5.478 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -0.921 6.351 4.871 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -2.161 6.755 3.701 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -0.507 8.629 5.427 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -0.966 8.810 3.745 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -2.326 10.154 5.688 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -3.178 9.539 4.285 1.00 0.00 H new ATOM 816 N GLU A 60 -1.519 6.649 7.855 1.00 0.00 N ATOM 817 CA GLU A 60 -1.235 6.192 9.249 1.00 0.00 C ATOM 818 C GLU A 60 -2.471 5.895 10.178 1.00 0.00 C ATOM 819 O GLU A 60 -2.575 4.779 10.694 1.00 0.00 O ATOM 820 CB GLU A 60 -0.144 7.099 9.883 1.00 0.00 C ATOM 821 CG GLU A 60 -0.537 8.567 10.175 1.00 0.00 C ATOM 822 CD GLU A 60 0.603 9.422 10.718 1.00 0.00 C ATOM 823 OE1 GLU A 60 1.317 10.024 9.727 1.00 0.00 O ATOM 824 OE2 GLU A 60 0.847 9.557 11.912 1.00 0.00 O ATOM 0 H GLU A 60 -0.995 7.483 7.591 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.841 5.180 9.155 1.00 0.00 H new ATOM 0 HB2 GLU A 60 0.176 6.641 10.819 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.720 7.105 9.219 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -0.912 9.021 9.257 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -1.357 8.576 10.893 1.00 0.00 H new ATOM 831 N ALA A 61 -3.421 6.838 10.348 1.00 0.00 N ATOM 832 CA ALA A 61 -4.695 6.586 11.083 1.00 0.00 C ATOM 833 C ALA A 61 -5.660 5.521 10.460 1.00 0.00 C ATOM 834 O ALA A 61 -6.184 4.675 11.192 1.00 0.00 O ATOM 835 CB ALA A 61 -5.387 7.950 11.273 1.00 0.00 C ATOM 0 H ALA A 61 -3.336 7.788 9.987 1.00 0.00 H new ATOM 0 HA ALA A 61 -4.433 6.122 12.034 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -6.326 7.810 11.808 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -4.737 8.611 11.847 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -5.588 8.395 10.298 1.00 0.00 H new ATOM 841 N LEU A 62 -5.861 5.524 9.127 1.00 0.00 N ATOM 842 CA LEU A 62 -6.566 4.430 8.400 1.00 0.00 C ATOM 843 C LEU A 62 -5.918 3.015 8.538 1.00 0.00 C ATOM 844 O LEU A 62 -6.641 2.080 8.880 1.00 0.00 O ATOM 845 CB LEU A 62 -6.740 4.828 6.905 1.00 0.00 C ATOM 846 CG LEU A 62 -7.784 5.933 6.601 1.00 0.00 C ATOM 847 CD1 LEU A 62 -7.591 6.472 5.177 1.00 0.00 C ATOM 848 CD2 LEU A 62 -9.231 5.428 6.748 1.00 0.00 C ATOM 0 H LEU A 62 -5.543 6.279 8.519 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.538 4.325 8.882 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.773 5.158 6.525 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.015 3.935 6.344 1.00 0.00 H new ATOM 0 HG LEU A 62 -7.622 6.725 7.332 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -8.331 7.247 4.978 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.590 6.892 5.080 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -7.715 5.660 4.461 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.924 6.239 6.525 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -9.401 4.604 6.055 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -9.394 5.083 7.769 1.00 0.00 H new ATOM 860 N GLN A 63 -4.597 2.829 8.329 1.00 0.00 N ATOM 861 CA GLN A 63 -3.925 1.521 8.602 1.00 0.00 C ATOM 862 C GLN A 63 -3.920 1.025 10.094 1.00 0.00 C ATOM 863 O GLN A 63 -4.046 -0.180 10.331 1.00 0.00 O ATOM 864 CB GLN A 63 -2.542 1.474 7.900 1.00 0.00 C ATOM 865 CG GLN A 63 -1.371 2.218 8.589 1.00 0.00 C ATOM 866 CD GLN A 63 -0.054 2.245 7.803 1.00 0.00 C ATOM 867 OE1 GLN A 63 0.070 1.796 6.669 1.00 0.00 O ATOM 868 NE2 GLN A 63 0.989 2.775 8.394 1.00 0.00 N ATOM 0 H GLN A 63 -3.972 3.554 7.976 1.00 0.00 H new ATOM 0 HA GLN A 63 -4.564 0.762 8.151 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -2.257 0.428 7.786 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -2.659 1.884 6.897 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -1.680 3.245 8.783 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -1.187 1.752 9.557 1.00 0.00 H new ATOM 0 HE21 GLN A 63 0.903 3.153 9.337 1.00 0.00 H new ATOM 0 HE22 GLN A 63 1.886 2.809 7.910 1.00 0.00 H new ATOM 877 N GLU A 64 -3.840 1.924 11.095 1.00 0.00 N ATOM 878 CA GLU A 64 -4.194 1.600 12.510 1.00 0.00 C ATOM 879 C GLU A 64 -5.678 1.128 12.704 1.00 0.00 C ATOM 880 O GLU A 64 -5.898 0.024 13.210 1.00 0.00 O ATOM 881 CB GLU A 64 -3.841 2.809 13.423 1.00 0.00 C ATOM 882 CG GLU A 64 -2.330 3.103 13.592 1.00 0.00 C ATOM 883 CD GLU A 64 -2.043 4.326 14.459 1.00 0.00 C ATOM 884 OE1 GLU A 64 -2.122 5.492 13.759 1.00 0.00 O ATOM 885 OE2 GLU A 64 -1.770 4.267 15.653 1.00 0.00 O ATOM 0 H GLU A 64 -3.533 2.887 10.958 1.00 0.00 H new ATOM 0 HA GLU A 64 -3.595 0.738 12.804 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -4.323 3.699 13.019 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.271 2.634 14.409 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -1.845 2.232 14.033 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -1.884 3.252 12.608 1.00 0.00 H new ATOM 892 N PHE A 65 -6.683 1.921 12.276 1.00 0.00 N ATOM 893 CA PHE A 65 -8.116 1.511 12.290 1.00 0.00 C ATOM 894 C PHE A 65 -8.471 0.223 11.471 1.00 0.00 C ATOM 895 O PHE A 65 -9.216 -0.614 11.972 1.00 0.00 O ATOM 896 CB PHE A 65 -8.908 2.773 11.857 1.00 0.00 C ATOM 897 CG PHE A 65 -10.440 2.647 11.918 1.00 0.00 C ATOM 898 CD1 PHE A 65 -11.112 2.735 13.143 1.00 0.00 C ATOM 899 CD2 PHE A 65 -11.173 2.422 10.749 1.00 0.00 C ATOM 900 CE1 PHE A 65 -12.497 2.593 13.196 1.00 0.00 C ATOM 901 CE2 PHE A 65 -12.557 2.280 10.808 1.00 0.00 C ATOM 902 CZ PHE A 65 -13.218 2.364 12.027 1.00 0.00 C ATOM 0 H PHE A 65 -6.532 2.861 11.911 1.00 0.00 H new ATOM 0 HA PHE A 65 -8.393 1.182 13.292 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -8.604 3.606 12.490 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -8.622 3.027 10.836 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -10.555 2.914 14.051 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -10.665 2.358 9.798 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -13.011 2.661 14.143 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -13.119 2.104 9.903 1.00 0.00 H new ATOM 0 HZ PHE A 65 -14.291 2.252 12.068 1.00 0.00 H new ATOM 912 N LEU A 66 -7.938 0.021 10.256 1.00 0.00 N ATOM 913 CA LEU A 66 -8.079 -1.273 9.523 1.00 0.00 C ATOM 914 C LEU A 66 -7.255 -2.482 10.087 1.00 0.00 C ATOM 915 O LEU A 66 -7.599 -3.621 9.770 1.00 0.00 O ATOM 916 CB LEU A 66 -7.785 -1.044 8.012 1.00 0.00 C ATOM 917 CG LEU A 66 -8.678 -0.024 7.252 1.00 0.00 C ATOM 918 CD1 LEU A 66 -8.191 0.142 5.803 1.00 0.00 C ATOM 919 CD2 LEU A 66 -10.166 -0.406 7.267 1.00 0.00 C ATOM 0 H LEU A 66 -7.404 0.728 9.751 1.00 0.00 H new ATOM 0 HA LEU A 66 -9.113 -1.583 9.677 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -6.749 -0.720 7.917 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -7.866 -2.005 7.504 1.00 0.00 H new ATOM 0 HG LEU A 66 -8.586 0.925 7.780 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -8.827 0.860 5.285 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -7.163 0.503 5.804 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -8.237 -0.819 5.291 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -10.739 0.343 6.721 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -10.297 -1.379 6.794 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -10.519 -0.453 8.297 1.00 0.00 H new ATOM 931 N THR A 67 -6.228 -2.279 10.939 1.00 0.00 N ATOM 932 CA THR A 67 -5.622 -3.369 11.767 1.00 0.00 C ATOM 933 C THR A 67 -6.610 -3.920 12.859 1.00 0.00 C ATOM 934 O THR A 67 -6.852 -5.128 12.883 1.00 0.00 O ATOM 935 CB THR A 67 -4.248 -2.909 12.352 1.00 0.00 C ATOM 936 OG1 THR A 67 -3.385 -2.419 11.329 1.00 0.00 O ATOM 937 CG2 THR A 67 -3.452 -4.031 13.040 1.00 0.00 C ATOM 0 H THR A 67 -5.792 -1.368 11.079 1.00 0.00 H new ATOM 0 HA THR A 67 -5.427 -4.220 11.114 1.00 0.00 H new ATOM 0 HB THR A 67 -4.522 -2.144 13.078 1.00 0.00 H new ATOM 0 HG1 THR A 67 -3.860 -1.751 10.793 1.00 0.00 H new ATOM 0 HG21 THR A 67 -2.512 -3.630 13.419 1.00 0.00 H new ATOM 0 HG22 THR A 67 -4.034 -4.435 13.868 1.00 0.00 H new ATOM 0 HG23 THR A 67 -3.245 -4.824 12.321 1.00 0.00 H new ATOM 945 N ASN A 68 -7.184 -3.068 13.735 1.00 0.00 N ATOM 946 CA ASN A 68 -8.319 -3.459 14.619 1.00 0.00 C ATOM 947 C ASN A 68 -9.254 -2.211 14.832 1.00 0.00 C ATOM 948 O ASN A 68 -8.868 -1.318 15.601 1.00 0.00 O ATOM 949 CB ASN A 68 -7.788 -4.074 15.945 1.00 0.00 C ATOM 950 CG ASN A 68 -8.864 -4.675 16.869 1.00 0.00 C ATOM 951 OD1 ASN A 68 -9.953 -4.143 17.064 1.00 0.00 O ATOM 952 ND2 ASN A 68 -8.587 -5.785 17.506 1.00 0.00 N ATOM 0 H ASN A 68 -6.884 -2.101 13.854 1.00 0.00 H new ATOM 0 HA ASN A 68 -8.920 -4.239 14.152 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -7.066 -4.853 15.701 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -7.251 -3.302 16.495 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -9.270 -6.189 18.148 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -7.689 -6.246 17.361 1.00 0.00 H new ATOM 959 N PRO A 69 -10.480 -2.102 14.232 1.00 0.00 N ATOM 960 CA PRO A 69 -11.335 -0.892 14.395 1.00 0.00 C ATOM 961 C PRO A 69 -12.038 -0.684 15.774 1.00 0.00 C ATOM 962 O PRO A 69 -12.201 0.467 16.189 1.00 0.00 O ATOM 963 CB PRO A 69 -12.277 -0.963 13.178 1.00 0.00 C ATOM 964 CG PRO A 69 -12.273 -2.410 12.692 1.00 0.00 C ATOM 965 CD PRO A 69 -10.968 -3.031 13.192 1.00 0.00 C ATOM 0 HA PRO A 69 -10.726 0.012 14.415 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -13.285 -0.651 13.452 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -11.939 -0.291 12.389 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -13.135 -2.952 13.081 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -12.332 -2.454 11.605 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -11.135 -4.028 13.600 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -10.244 -3.135 12.383 1.00 0.00 H new ATOM 973 N LYS A 70 -12.400 -1.761 16.497 1.00 0.00 N ATOM 974 CA LYS A 70 -12.860 -1.678 17.918 1.00 0.00 C ATOM 975 C LYS A 70 -11.783 -1.249 18.969 1.00 0.00 C ATOM 976 O LYS A 70 -12.100 -0.508 19.901 1.00 0.00 O ATOM 977 CB LYS A 70 -13.547 -2.999 18.366 1.00 0.00 C ATOM 978 CG LYS A 70 -14.824 -3.447 17.611 1.00 0.00 C ATOM 979 CD LYS A 70 -14.554 -4.464 16.483 1.00 0.00 C ATOM 980 CE LYS A 70 -15.856 -4.998 15.868 1.00 0.00 C ATOM 981 NZ LYS A 70 -15.547 -6.052 14.885 1.00 0.00 N ATOM 0 H LYS A 70 -12.386 -2.711 16.126 1.00 0.00 H new ATOM 0 HA LYS A 70 -13.579 -0.859 17.905 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -12.813 -3.801 18.286 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -13.800 -2.903 19.422 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -15.522 -3.886 18.324 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -15.312 -2.569 17.187 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -13.952 -3.993 15.706 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -13.971 -5.296 16.877 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -16.502 -5.396 16.650 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -16.401 -4.186 15.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -16.410 -6.303 14.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -14.828 -5.705 14.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -15.184 -6.892 15.379 1.00 0.00 H new ATOM 994 N ALA A 71 -10.528 -1.701 18.825 1.00 0.00 N ATOM 995 CA ALA A 71 -9.383 -1.184 19.626 1.00 0.00 C ATOM 996 C ALA A 71 -9.007 0.321 19.405 1.00 0.00 C ATOM 997 O ALA A 71 -8.733 1.020 20.383 1.00 0.00 O ATOM 998 CB ALA A 71 -8.188 -2.120 19.373 1.00 0.00 C ATOM 0 H ALA A 71 -10.269 -2.429 18.159 1.00 0.00 H new ATOM 0 HA ALA A 71 -9.691 -1.191 20.672 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -7.327 -1.773 19.944 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -8.446 -3.132 19.684 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -7.943 -2.118 18.311 1.00 0.00 H new ATOM 1004 N VAL A 72 -9.017 0.828 18.154 1.00 0.00 N ATOM 1005 CA VAL A 72 -8.837 2.287 17.863 1.00 0.00 C ATOM 1006 C VAL A 72 -10.094 3.138 18.268 1.00 0.00 C ATOM 1007 O VAL A 72 -9.940 4.093 19.035 1.00 0.00 O ATOM 1008 CB VAL A 72 -8.347 2.500 16.386 1.00 0.00 C ATOM 1009 CG1 VAL A 72 -8.199 3.986 15.971 1.00 0.00 C ATOM 1010 CG2 VAL A 72 -6.980 1.834 16.102 1.00 0.00 C ATOM 0 H VAL A 72 -9.147 0.256 17.320 1.00 0.00 H new ATOM 0 HA VAL A 72 -8.042 2.674 18.501 1.00 0.00 H new ATOM 0 HB VAL A 72 -9.141 2.033 15.804 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -7.857 4.043 14.938 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -9.163 4.487 16.062 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -7.473 4.475 16.621 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -6.695 2.016 15.066 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -6.225 2.256 16.766 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -7.056 0.760 16.274 1.00 0.00 H new ATOM 1020 N VAL A 73 -11.307 2.827 17.767 1.00 0.00 N ATOM 1021 CA VAL A 73 -12.554 3.554 18.156 1.00 0.00 C ATOM 1022 C VAL A 73 -13.411 2.582 19.033 1.00 0.00 C ATOM 1023 O VAL A 73 -14.128 1.716 18.517 1.00 0.00 O ATOM 1024 CB VAL A 73 -13.300 4.117 16.897 1.00 0.00 C ATOM 1025 CG1 VAL A 73 -14.592 4.883 17.262 1.00 0.00 C ATOM 1026 CG2 VAL A 73 -12.448 5.086 16.041 1.00 0.00 C ATOM 0 H VAL A 73 -11.460 2.078 17.091 1.00 0.00 H new ATOM 0 HA VAL A 73 -12.330 4.440 18.751 1.00 0.00 H new ATOM 0 HB VAL A 73 -13.524 3.218 16.323 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -15.067 5.250 16.352 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -15.276 4.214 17.784 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -14.345 5.726 17.908 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -13.035 5.431 15.190 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -12.150 5.941 16.647 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -11.558 4.568 15.682 1.00 0.00 H new ATOM 1036 N LYS A 74 -13.344 2.744 20.369 1.00 0.00 N ATOM 1037 CA LYS A 74 -14.040 1.842 21.330 1.00 0.00 C ATOM 1038 C LYS A 74 -15.575 2.138 21.398 1.00 0.00 C ATOM 1039 O LYS A 74 -16.017 3.126 21.989 1.00 0.00 O ATOM 1040 CB LYS A 74 -13.305 1.955 22.692 1.00 0.00 C ATOM 1041 CG LYS A 74 -13.720 0.894 23.737 1.00 0.00 C ATOM 1042 CD LYS A 74 -12.937 1.034 25.057 1.00 0.00 C ATOM 1043 CE LYS A 74 -13.354 -0.019 26.094 1.00 0.00 C ATOM 1044 NZ LYS A 74 -12.585 0.171 27.340 1.00 0.00 N ATOM 0 H LYS A 74 -12.814 3.492 20.816 1.00 0.00 H new ATOM 0 HA LYS A 74 -13.992 0.804 20.999 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -12.232 1.875 22.519 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -13.488 2.946 23.107 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -14.787 0.985 23.939 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -13.557 -0.102 23.325 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -11.870 0.941 24.856 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -13.098 2.030 25.469 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -14.421 0.063 26.299 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -13.181 -1.020 25.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -12.872 -0.545 28.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -11.569 0.072 27.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -12.771 1.120 27.722 1.00 0.00 H new ATOM 1057 N GLY A 75 -16.368 1.280 20.739 1.00 0.00 N ATOM 1058 CA GLY A 75 -17.784 1.589 20.391 1.00 0.00 C ATOM 1059 C GLY A 75 -18.042 2.244 19.005 1.00 0.00 C ATOM 1060 O GLY A 75 -18.910 3.113 18.862 1.00 0.00 O ATOM 0 H GLY A 75 -16.060 0.358 20.430 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -18.355 0.662 20.439 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -18.185 2.251 21.159 1.00 0.00 H new ATOM 1064 N THR A 76 -17.351 1.761 17.963 1.00 0.00 N ATOM 1065 CA THR A 76 -17.762 1.959 16.546 1.00 0.00 C ATOM 1066 C THR A 76 -18.857 0.926 16.118 1.00 0.00 C ATOM 1067 O THR A 76 -18.765 -0.265 16.434 1.00 0.00 O ATOM 1068 CB THR A 76 -16.509 1.936 15.614 1.00 0.00 C ATOM 1069 OG1 THR A 76 -16.888 2.263 14.284 1.00 0.00 O ATOM 1070 CG2 THR A 76 -15.702 0.627 15.518 1.00 0.00 C ATOM 0 H THR A 76 -16.492 1.222 18.067 1.00 0.00 H new ATOM 0 HA THR A 76 -18.223 2.942 16.447 1.00 0.00 H new ATOM 0 HB THR A 76 -15.854 2.662 16.096 1.00 0.00 H new ATOM 0 HG1 THR A 76 -16.097 2.248 13.705 1.00 0.00 H new ATOM 0 HG21 THR A 76 -14.864 0.765 14.835 1.00 0.00 H new ATOM 0 HG22 THR A 76 -15.325 0.359 16.505 1.00 0.00 H new ATOM 0 HG23 THR A 76 -16.345 -0.171 15.146 1.00 0.00 H new ATOM 1078 N LYS A 77 -19.847 1.356 15.315 1.00 0.00 N ATOM 1079 CA LYS A 77 -20.757 0.404 14.593 1.00 0.00 C ATOM 1080 C LYS A 77 -20.126 -0.437 13.416 1.00 0.00 C ATOM 1081 O LYS A 77 -20.841 -1.226 12.789 1.00 0.00 O ATOM 1082 CB LYS A 77 -21.997 1.194 14.090 1.00 0.00 C ATOM 1083 CG LYS A 77 -22.977 1.692 15.179 1.00 0.00 C ATOM 1084 CD LYS A 77 -24.271 2.345 14.638 1.00 0.00 C ATOM 1085 CE LYS A 77 -24.160 3.768 14.055 1.00 0.00 C ATOM 1086 NZ LYS A 77 -23.539 3.796 12.718 1.00 0.00 N ATOM 0 H LYS A 77 -20.048 2.341 15.141 1.00 0.00 H new ATOM 0 HA LYS A 77 -21.017 -0.357 15.329 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -21.647 2.057 13.524 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -22.549 0.560 13.396 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -23.250 0.850 15.815 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -22.459 2.414 15.811 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -24.677 1.695 13.863 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -25.000 2.369 15.448 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -25.155 4.209 13.997 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -23.575 4.388 14.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -23.920 4.597 12.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -22.509 3.903 12.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -23.749 2.908 12.219 1.00 0.00 H new ATOM 1099 N MET A 78 -18.817 -0.312 13.118 1.00 0.00 N ATOM 1100 CA MET A 78 -18.134 -1.122 12.083 1.00 0.00 C ATOM 1101 C MET A 78 -17.846 -2.576 12.575 1.00 0.00 C ATOM 1102 O MET A 78 -16.898 -2.816 13.328 1.00 0.00 O ATOM 1103 CB MET A 78 -16.865 -0.349 11.628 1.00 0.00 C ATOM 1104 CG MET A 78 -16.061 -1.087 10.540 1.00 0.00 C ATOM 1105 SD MET A 78 -15.355 0.041 9.278 1.00 0.00 S ATOM 1106 CE MET A 78 -13.676 -0.694 9.308 1.00 0.00 C ATOM 0 H MET A 78 -18.202 0.353 13.587 1.00 0.00 H new ATOM 0 HA MET A 78 -18.782 -1.258 11.217 1.00 0.00 H new ATOM 0 HB2 MET A 78 -17.160 0.630 11.251 1.00 0.00 H new ATOM 0 HB3 MET A 78 -16.223 -0.178 12.492 1.00 0.00 H new ATOM 0 HG2 MET A 78 -15.253 -1.647 11.011 1.00 0.00 H new ATOM 0 HG3 MET A 78 -16.708 -1.813 10.048 1.00 0.00 H new ATOM 0 HE1 MET A 78 -13.035 -0.166 8.602 1.00 0.00 H new ATOM 0 HE2 MET A 78 -13.259 -0.608 10.311 1.00 0.00 H new ATOM 0 HE3 MET A 78 -13.734 -1.746 9.028 1.00 0.00 H new ATOM 1116 N ALA A 79 -18.636 -3.548 12.081 1.00 0.00 N ATOM 1117 CA ALA A 79 -18.386 -4.991 12.337 1.00 0.00 C ATOM 1118 C ALA A 79 -17.351 -5.599 11.331 1.00 0.00 C ATOM 1119 O ALA A 79 -17.680 -6.341 10.400 1.00 0.00 O ATOM 1120 CB ALA A 79 -19.758 -5.691 12.362 1.00 0.00 C ATOM 0 H ALA A 79 -19.455 -3.366 11.501 1.00 0.00 H new ATOM 0 HA ALA A 79 -17.905 -5.146 13.303 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -19.620 -6.756 12.548 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -20.371 -5.261 13.154 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -20.255 -5.552 11.402 1.00 0.00 H new ATOM 1126 N PHE A 80 -16.075 -5.258 11.560 1.00 0.00 N ATOM 1127 CA PHE A 80 -14.915 -5.787 10.806 1.00 0.00 C ATOM 1128 C PHE A 80 -13.797 -6.159 11.835 1.00 0.00 C ATOM 1129 O PHE A 80 -13.498 -5.403 12.766 1.00 0.00 O ATOM 1130 CB PHE A 80 -14.481 -4.720 9.757 1.00 0.00 C ATOM 1131 CG PHE A 80 -13.325 -5.155 8.841 1.00 0.00 C ATOM 1132 CD1 PHE A 80 -13.534 -6.127 7.856 1.00 0.00 C ATOM 1133 CD2 PHE A 80 -12.033 -4.661 9.055 1.00 0.00 C ATOM 1134 CE1 PHE A 80 -12.458 -6.632 7.130 1.00 0.00 C ATOM 1135 CE2 PHE A 80 -10.961 -5.157 8.317 1.00 0.00 C ATOM 1136 CZ PHE A 80 -11.172 -6.154 7.367 1.00 0.00 C ATOM 0 H PHE A 80 -15.808 -4.594 12.287 1.00 0.00 H new ATOM 0 HA PHE A 80 -15.152 -6.694 10.250 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -15.342 -4.467 9.138 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -14.188 -3.811 10.283 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -14.533 -6.487 7.658 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -11.867 -3.892 9.795 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -12.621 -7.395 6.383 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -9.967 -4.769 8.481 1.00 0.00 H new ATOM 0 HZ PHE A 80 -10.337 -6.557 6.814 1.00 0.00 H new ATOM 1146 N ALA A 81 -13.178 -7.338 11.670 1.00 0.00 N ATOM 1147 CA ALA A 81 -12.099 -7.812 12.578 1.00 0.00 C ATOM 1148 C ALA A 81 -10.707 -7.140 12.343 1.00 0.00 C ATOM 1149 O ALA A 81 -10.179 -6.509 13.263 1.00 0.00 O ATOM 1150 CB ALA A 81 -12.078 -9.352 12.494 1.00 0.00 C ATOM 0 H ALA A 81 -13.400 -7.989 10.917 1.00 0.00 H new ATOM 0 HA ALA A 81 -12.323 -7.499 13.598 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -11.298 -9.741 13.148 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -13.044 -9.747 12.808 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -11.877 -9.658 11.467 1.00 0.00 H new ATOM 1156 N GLY A 82 -10.117 -7.270 11.140 1.00 0.00 N ATOM 1157 CA GLY A 82 -8.781 -6.695 10.857 1.00 0.00 C ATOM 1158 C GLY A 82 -8.123 -7.155 9.539 1.00 0.00 C ATOM 1159 O GLY A 82 -8.249 -8.307 9.119 1.00 0.00 O ATOM 0 H GLY A 82 -10.537 -7.763 10.352 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -8.869 -5.609 10.838 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -8.115 -6.947 11.682 1.00 0.00 H new ATOM 1163 N LEU A 83 -7.340 -6.252 8.936 1.00 0.00 N ATOM 1164 CA LEU A 83 -6.355 -6.595 7.875 1.00 0.00 C ATOM 1165 C LEU A 83 -4.943 -6.780 8.546 1.00 0.00 C ATOM 1166 O LEU A 83 -4.301 -5.760 8.834 1.00 0.00 O ATOM 1167 CB LEU A 83 -6.326 -5.474 6.792 1.00 0.00 C ATOM 1168 CG LEU A 83 -7.567 -5.275 5.885 1.00 0.00 C ATOM 1169 CD1 LEU A 83 -7.361 -4.065 4.956 1.00 0.00 C ATOM 1170 CD2 LEU A 83 -7.890 -6.509 5.025 1.00 0.00 C ATOM 0 H LEU A 83 -7.363 -5.258 9.163 1.00 0.00 H new ATOM 0 HA LEU A 83 -6.638 -7.523 7.379 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -6.135 -4.529 7.301 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -5.471 -5.665 6.143 1.00 0.00 H new ATOM 0 HG LEU A 83 -8.409 -5.107 6.556 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -8.240 -3.937 4.325 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -7.211 -3.167 5.556 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -6.485 -4.233 4.329 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -8.769 -6.306 4.413 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -7.042 -6.734 4.379 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -8.089 -7.362 5.673 1.00 0.00 H new ATOM 1182 N PRO A 84 -4.405 -8.009 8.824 1.00 0.00 N ATOM 1183 CA PRO A 84 -3.113 -8.178 9.559 1.00 0.00 C ATOM 1184 C PRO A 84 -1.794 -7.785 8.813 1.00 0.00 C ATOM 1185 O PRO A 84 -0.877 -7.252 9.446 1.00 0.00 O ATOM 1186 CB PRO A 84 -3.171 -9.660 9.983 1.00 0.00 C ATOM 1187 CG PRO A 84 -4.049 -10.345 8.934 1.00 0.00 C ATOM 1188 CD PRO A 84 -5.101 -9.292 8.585 1.00 0.00 C ATOM 0 HA PRO A 84 -3.043 -7.468 10.383 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -2.174 -10.101 10.010 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -3.595 -9.767 10.982 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -3.470 -10.636 8.058 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -4.508 -11.252 9.328 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -5.430 -9.382 7.550 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -5.988 -9.389 9.211 1.00 0.00 H new ATOM 1196 N LYS A 85 -1.703 -8.003 7.492 1.00 0.00 N ATOM 1197 CA LYS A 85 -0.506 -7.660 6.682 1.00 0.00 C ATOM 1198 C LYS A 85 -0.533 -6.175 6.200 1.00 0.00 C ATOM 1199 O LYS A 85 -1.529 -5.677 5.663 1.00 0.00 O ATOM 1200 CB LYS A 85 -0.432 -8.632 5.475 1.00 0.00 C ATOM 1201 CG LYS A 85 -0.186 -10.121 5.813 1.00 0.00 C ATOM 1202 CD LYS A 85 -0.074 -10.999 4.548 1.00 0.00 C ATOM 1203 CE LYS A 85 0.206 -12.488 4.822 1.00 0.00 C ATOM 1204 NZ LYS A 85 -0.981 -13.190 5.352 1.00 0.00 N ATOM 0 H LYS A 85 -2.456 -8.423 6.946 1.00 0.00 H new ATOM 0 HA LYS A 85 0.383 -7.767 7.303 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -1.365 -8.557 4.917 1.00 0.00 H new ATOM 0 HB3 LYS A 85 0.365 -8.295 4.812 1.00 0.00 H new ATOM 0 HG2 LYS A 85 0.729 -10.212 6.398 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -1.001 -10.489 6.437 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -1.001 -10.916 3.981 1.00 0.00 H new ATOM 0 HD3 LYS A 85 0.722 -10.604 3.917 1.00 0.00 H new ATOM 0 HE2 LYS A 85 0.530 -12.971 3.900 1.00 0.00 H new ATOM 0 HE3 LYS A 85 1.027 -12.577 5.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -0.747 -14.189 5.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -1.276 -12.747 6.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -1.757 -13.129 4.662 1.00 0.00 H new ATOM 1217 N ILE A 86 0.615 -5.494 6.349 1.00 0.00 N ATOM 1218 CA ILE A 86 0.856 -4.123 5.792 1.00 0.00 C ATOM 1219 C ILE A 86 0.571 -3.922 4.264 1.00 0.00 C ATOM 1220 O ILE A 86 -0.085 -2.941 3.903 1.00 0.00 O ATOM 1221 CB ILE A 86 2.274 -3.627 6.241 1.00 0.00 C ATOM 1222 CG1 ILE A 86 2.574 -2.132 5.934 1.00 0.00 C ATOM 1223 CG2 ILE A 86 3.449 -4.483 5.688 1.00 0.00 C ATOM 1224 CD1 ILE A 86 1.668 -1.109 6.639 1.00 0.00 C ATOM 0 H ILE A 86 1.415 -5.868 6.859 1.00 0.00 H new ATOM 0 HA ILE A 86 0.089 -3.481 6.225 1.00 0.00 H new ATOM 0 HB ILE A 86 2.217 -3.749 7.323 1.00 0.00 H new ATOM 0 HG12 ILE A 86 3.608 -1.924 6.210 1.00 0.00 H new ATOM 0 HG13 ILE A 86 2.494 -1.979 4.858 1.00 0.00 H new ATOM 0 HG21 ILE A 86 4.395 -4.075 6.044 1.00 0.00 H new ATOM 0 HG22 ILE A 86 3.344 -5.511 6.034 1.00 0.00 H new ATOM 0 HG23 ILE A 86 3.432 -4.463 4.598 1.00 0.00 H new ATOM 0 HD11 ILE A 86 1.967 -0.100 6.353 1.00 0.00 H new ATOM 0 HD12 ILE A 86 0.632 -1.278 6.346 1.00 0.00 H new ATOM 0 HD13 ILE A 86 1.763 -1.223 7.719 1.00 0.00 H new ATOM 1236 N GLU A 87 1.022 -4.843 3.389 1.00 0.00 N ATOM 1237 CA GLU A 87 0.681 -4.820 1.939 1.00 0.00 C ATOM 1238 C GLU A 87 -0.843 -4.813 1.590 1.00 0.00 C ATOM 1239 O GLU A 87 -1.243 -3.963 0.798 1.00 0.00 O ATOM 1240 CB GLU A 87 1.553 -5.827 1.134 1.00 0.00 C ATOM 1241 CG GLU A 87 1.552 -7.342 1.470 1.00 0.00 C ATOM 1242 CD GLU A 87 0.242 -8.075 1.209 1.00 0.00 C ATOM 1243 OE1 GLU A 87 -0.215 -8.300 0.093 1.00 0.00 O ATOM 1244 OE2 GLU A 87 -0.381 -8.416 2.368 1.00 0.00 O ATOM 0 H GLU A 87 1.627 -5.619 3.657 1.00 0.00 H new ATOM 0 HA GLU A 87 0.961 -3.827 1.588 1.00 0.00 H new ATOM 0 HB2 GLU A 87 1.262 -5.733 0.088 1.00 0.00 H new ATOM 0 HB3 GLU A 87 2.585 -5.485 1.210 1.00 0.00 H new ATOM 0 HG2 GLU A 87 2.339 -7.825 0.890 1.00 0.00 H new ATOM 0 HG3 GLU A 87 1.811 -7.462 2.522 1.00 0.00 H new ATOM 1251 N ASP A 88 -1.710 -5.627 2.231 1.00 0.00 N ATOM 1252 CA ASP A 88 -3.196 -5.481 2.114 1.00 0.00 C ATOM 1253 C ASP A 88 -3.764 -4.068 2.506 1.00 0.00 C ATOM 1254 O ASP A 88 -4.587 -3.509 1.774 1.00 0.00 O ATOM 1255 CB ASP A 88 -3.900 -6.607 2.925 1.00 0.00 C ATOM 1256 CG ASP A 88 -3.850 -8.006 2.306 1.00 0.00 C ATOM 1257 OD1 ASP A 88 -2.882 -8.757 2.379 1.00 0.00 O ATOM 1258 OD2 ASP A 88 -5.010 -8.334 1.675 1.00 0.00 O ATOM 0 H ASP A 88 -1.417 -6.394 2.836 1.00 0.00 H new ATOM 0 HA ASP A 88 -3.420 -5.578 1.052 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -3.447 -6.652 3.916 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -4.945 -6.329 3.064 1.00 0.00 H new ATOM 1263 N ARG A 89 -3.296 -3.482 3.624 1.00 0.00 N ATOM 1264 CA ARG A 89 -3.626 -2.084 4.028 1.00 0.00 C ATOM 1265 C ARG A 89 -3.124 -0.978 3.033 1.00 0.00 C ATOM 1266 O ARG A 89 -3.931 -0.164 2.574 1.00 0.00 O ATOM 1267 CB ARG A 89 -3.129 -1.834 5.485 1.00 0.00 C ATOM 1268 CG ARG A 89 -3.634 -2.839 6.556 1.00 0.00 C ATOM 1269 CD ARG A 89 -3.441 -2.425 8.024 1.00 0.00 C ATOM 1270 NE ARG A 89 -2.006 -2.359 8.434 1.00 0.00 N ATOM 1271 CZ ARG A 89 -1.323 -3.337 9.029 1.00 0.00 C ATOM 1272 NH1 ARG A 89 -1.813 -4.520 9.278 1.00 0.00 N ATOM 1273 NH2 ARG A 89 -0.093 -3.108 9.381 1.00 0.00 N ATOM 0 H ARG A 89 -2.677 -3.958 4.280 1.00 0.00 H new ATOM 0 HA ARG A 89 -4.712 -1.993 3.990 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -2.039 -1.851 5.484 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -3.432 -0.831 5.785 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -4.696 -3.014 6.387 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -3.125 -3.790 6.399 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -3.903 -1.451 8.183 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -3.963 -3.134 8.666 1.00 0.00 H new ATOM 0 HE ARG A 89 -1.506 -1.491 8.242 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -2.773 -4.740 9.014 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -1.236 -5.225 9.737 1.00 0.00 H new ATOM 0 HH21 ARG A 89 0.328 -2.197 9.200 1.00 0.00 H new ATOM 0 HH22 ARG A 89 0.451 -3.840 9.838 1.00 0.00 H new ATOM 1287 N ALA A 90 -1.826 -0.970 2.667 1.00 0.00 N ATOM 1288 CA ALA A 90 -1.278 -0.084 1.601 1.00 0.00 C ATOM 1289 C ALA A 90 -1.861 -0.261 0.155 1.00 0.00 C ATOM 1290 O ALA A 90 -2.122 0.744 -0.512 1.00 0.00 O ATOM 1291 CB ALA A 90 0.251 -0.255 1.648 1.00 0.00 C ATOM 0 H ALA A 90 -1.124 -1.573 3.096 1.00 0.00 H new ATOM 0 HA ALA A 90 -1.595 0.936 1.820 1.00 0.00 H new ATOM 0 HB1 ALA A 90 0.711 0.373 0.885 1.00 0.00 H new ATOM 0 HB2 ALA A 90 0.620 0.039 2.631 1.00 0.00 H new ATOM 0 HB3 ALA A 90 0.506 -1.298 1.461 1.00 0.00 H new ATOM 1297 N ASN A 91 -2.128 -1.501 -0.309 1.00 0.00 N ATOM 1298 CA ASN A 91 -2.973 -1.775 -1.510 1.00 0.00 C ATOM 1299 C ASN A 91 -4.388 -1.100 -1.490 1.00 0.00 C ATOM 1300 O ASN A 91 -4.734 -0.375 -2.428 1.00 0.00 O ATOM 1301 CB ASN A 91 -3.122 -3.318 -1.688 1.00 0.00 C ATOM 1302 CG ASN A 91 -1.972 -4.243 -2.089 1.00 0.00 C ATOM 1303 OD1 ASN A 91 -2.158 -5.449 -2.182 1.00 0.00 O ATOM 1304 ND2 ASN A 91 -0.760 -3.810 -2.302 1.00 0.00 N ATOM 0 H ASN A 91 -1.767 -2.346 0.133 1.00 0.00 H new ATOM 0 HA ASN A 91 -2.453 -1.324 -2.355 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -3.505 -3.699 -0.741 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -3.906 -3.465 -2.431 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -0.017 -4.469 -2.535 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -0.556 -2.813 -2.236 1.00 0.00 H new ATOM 1311 N LEU A 92 -5.195 -1.311 -0.428 1.00 0.00 N ATOM 1312 CA LEU A 92 -6.503 -0.617 -0.254 1.00 0.00 C ATOM 1313 C LEU A 92 -6.425 0.945 -0.150 1.00 0.00 C ATOM 1314 O LEU A 92 -7.225 1.627 -0.793 1.00 0.00 O ATOM 1315 CB LEU A 92 -7.252 -1.299 0.927 1.00 0.00 C ATOM 1316 CG LEU A 92 -8.777 -1.003 1.003 1.00 0.00 C ATOM 1317 CD1 LEU A 92 -9.556 -2.189 1.585 1.00 0.00 C ATOM 1318 CD2 LEU A 92 -9.091 0.239 1.850 1.00 0.00 C ATOM 0 H LEU A 92 -4.968 -1.957 0.328 1.00 0.00 H new ATOM 0 HA LEU A 92 -7.080 -0.737 -1.171 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -7.111 -2.377 0.852 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -6.789 -0.981 1.861 1.00 0.00 H new ATOM 0 HG LEU A 92 -9.090 -0.822 -0.025 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -10.617 -1.944 1.622 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -9.408 -3.066 0.955 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -9.197 -2.401 2.592 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -10.169 0.402 1.871 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -8.727 0.088 2.866 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -8.601 1.110 1.415 1.00 0.00 H new ATOM 1330 N ILE A 93 -5.473 1.519 0.609 1.00 0.00 N ATOM 1331 CA ILE A 93 -5.247 3.001 0.676 1.00 0.00 C ATOM 1332 C ILE A 93 -4.744 3.639 -0.679 1.00 0.00 C ATOM 1333 O ILE A 93 -5.153 4.761 -1.006 1.00 0.00 O ATOM 1334 CB ILE A 93 -4.382 3.300 1.956 1.00 0.00 C ATOM 1335 CG1 ILE A 93 -5.125 2.937 3.285 1.00 0.00 C ATOM 1336 CG2 ILE A 93 -3.894 4.772 2.038 1.00 0.00 C ATOM 1337 CD1 ILE A 93 -4.237 2.821 4.537 1.00 0.00 C ATOM 0 H ILE A 93 -4.834 0.983 1.196 1.00 0.00 H new ATOM 0 HA ILE A 93 -6.197 3.522 0.794 1.00 0.00 H new ATOM 0 HB ILE A 93 -3.510 2.654 1.847 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -5.887 3.694 3.472 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -5.645 1.990 3.142 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -3.304 4.910 2.944 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -3.280 5.001 1.167 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -4.755 5.440 2.061 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -4.854 2.566 5.399 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -3.490 2.042 4.383 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -3.737 3.772 4.718 1.00 0.00 H new ATOM 1349 N ALA A 94 -3.918 2.948 -1.492 1.00 0.00 N ATOM 1350 CA ALA A 94 -3.766 3.249 -2.945 1.00 0.00 C ATOM 1351 C ALA A 94 -5.087 3.237 -3.787 1.00 0.00 C ATOM 1352 O ALA A 94 -5.345 4.194 -4.521 1.00 0.00 O ATOM 1353 CB ALA A 94 -2.724 2.261 -3.501 1.00 0.00 C ATOM 0 H ALA A 94 -3.339 2.172 -1.171 1.00 0.00 H new ATOM 0 HA ALA A 94 -3.439 4.285 -3.037 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -2.580 2.445 -4.566 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -1.778 2.398 -2.978 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -3.076 1.240 -3.354 1.00 0.00 H new ATOM 1359 N TYR A 95 -5.933 2.192 -3.662 1.00 0.00 N ATOM 1360 CA TYR A 95 -7.281 2.156 -4.301 1.00 0.00 C ATOM 1361 C TYR A 95 -8.270 3.278 -3.841 1.00 0.00 C ATOM 1362 O TYR A 95 -8.859 3.922 -4.706 1.00 0.00 O ATOM 1363 CB TYR A 95 -7.842 0.717 -4.145 1.00 0.00 C ATOM 1364 CG TYR A 95 -9.158 0.414 -4.882 1.00 0.00 C ATOM 1365 CD1 TYR A 95 -9.206 0.434 -6.281 1.00 0.00 C ATOM 1366 CD2 TYR A 95 -10.311 0.088 -4.160 1.00 0.00 C ATOM 1367 CE1 TYR A 95 -10.394 0.141 -6.946 1.00 0.00 C ATOM 1368 CE2 TYR A 95 -11.491 -0.223 -4.831 1.00 0.00 C ATOM 1369 CZ TYR A 95 -11.533 -0.195 -6.220 1.00 0.00 C ATOM 1370 OH TYR A 95 -12.688 -0.533 -6.872 1.00 0.00 O ATOM 0 H TYR A 95 -5.711 1.355 -3.123 1.00 0.00 H new ATOM 0 HA TYR A 95 -7.165 2.395 -5.358 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -7.085 0.015 -4.495 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -7.992 0.522 -3.083 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -8.319 0.677 -6.846 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -10.286 0.077 -3.080 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -10.432 0.174 -8.025 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -12.376 -0.487 -4.271 1.00 0.00 H new ATOM 0 HH TYR A 95 -12.484 -0.759 -7.804 1.00 0.00 H new ATOM 1380 N LEU A 96 -8.416 3.569 -2.533 1.00 0.00 N ATOM 1381 CA LEU A 96 -9.152 4.777 -2.041 1.00 0.00 C ATOM 1382 C LEU A 96 -8.689 6.159 -2.626 1.00 0.00 C ATOM 1383 O LEU A 96 -9.533 6.985 -2.975 1.00 0.00 O ATOM 1384 CB LEU A 96 -9.104 4.812 -0.486 1.00 0.00 C ATOM 1385 CG LEU A 96 -9.814 3.678 0.299 1.00 0.00 C ATOM 1386 CD1 LEU A 96 -9.465 3.782 1.795 1.00 0.00 C ATOM 1387 CD2 LEU A 96 -11.339 3.710 0.116 1.00 0.00 C ATOM 0 H LEU A 96 -8.036 2.988 -1.786 1.00 0.00 H new ATOM 0 HA LEU A 96 -10.170 4.658 -2.413 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -8.056 4.818 -0.186 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -9.534 5.760 -0.162 1.00 0.00 H new ATOM 0 HG LEU A 96 -9.457 2.729 -0.102 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -9.966 2.983 2.342 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -8.387 3.689 1.924 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -9.795 4.747 2.179 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -11.791 2.897 0.685 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -11.728 4.663 0.474 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -11.581 3.592 -0.940 1.00 0.00 H new ATOM 1399 N GLU A 97 -7.373 6.399 -2.771 1.00 0.00 N ATOM 1400 CA GLU A 97 -6.823 7.562 -3.534 1.00 0.00 C ATOM 1401 C GLU A 97 -7.127 7.584 -5.074 1.00 0.00 C ATOM 1402 O GLU A 97 -7.428 8.659 -5.600 1.00 0.00 O ATOM 1403 CB GLU A 97 -5.298 7.622 -3.235 1.00 0.00 C ATOM 1404 CG GLU A 97 -4.931 8.007 -1.779 1.00 0.00 C ATOM 1405 CD GLU A 97 -3.464 7.788 -1.429 1.00 0.00 C ATOM 1406 OE1 GLU A 97 -3.201 6.483 -1.115 1.00 0.00 O ATOM 1407 OE2 GLU A 97 -2.627 8.686 -1.423 1.00 0.00 O ATOM 0 H GLU A 97 -6.652 5.800 -2.368 1.00 0.00 H new ATOM 0 HA GLU A 97 -7.341 8.457 -3.190 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -4.860 6.649 -3.459 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -4.838 8.342 -3.912 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -5.179 9.056 -1.618 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -5.548 7.425 -1.094 1.00 0.00 H new ATOM 1414 N GLY A 98 -7.111 6.439 -5.785 1.00 0.00 N ATOM 1415 CA GLY A 98 -7.742 6.335 -7.138 1.00 0.00 C ATOM 1416 C GLY A 98 -9.284 6.137 -7.253 1.00 0.00 C ATOM 1417 O GLY A 98 -9.761 5.825 -8.345 1.00 0.00 O ATOM 0 H GLY A 98 -6.676 5.576 -5.459 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -7.487 7.241 -7.688 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -7.266 5.503 -7.657 1.00 0.00 H new ATOM 1421 N GLN A 99 -10.057 6.319 -6.171 1.00 0.00 N ATOM 1422 CA GLN A 99 -11.541 6.219 -6.160 1.00 0.00 C ATOM 1423 C GLN A 99 -12.066 7.381 -5.266 1.00 0.00 C ATOM 1424 O GLN A 99 -12.308 7.213 -4.067 1.00 0.00 O ATOM 1425 CB GLN A 99 -11.992 4.845 -5.593 1.00 0.00 C ATOM 1426 CG GLN A 99 -11.570 3.570 -6.364 1.00 0.00 C ATOM 1427 CD GLN A 99 -12.323 3.295 -7.667 1.00 0.00 C ATOM 1428 OE1 GLN A 99 -13.362 2.645 -7.696 1.00 0.00 O ATOM 1429 NE2 GLN A 99 -11.828 3.772 -8.783 1.00 0.00 N ATOM 0 H GLN A 99 -9.668 6.545 -5.256 1.00 0.00 H new ATOM 0 HA GLN A 99 -11.943 6.296 -7.170 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -11.611 4.762 -4.575 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -13.080 4.851 -5.527 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -10.506 3.642 -6.590 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -11.699 2.711 -5.705 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -10.964 4.314 -8.767 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -12.307 3.601 -9.667 1.00 0.00 H new