USER MOD reduce.3.24.130724 H: found=0, std=0, add=678, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 679 hydrogens (29 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 NoAdj-H: A 91 E2P HXT : A 91 E2P O20 : A 91 E2P C20 :(short bond) USER MOD Set 1.1: A 68 SER OG : rot -11:sc= 0.679 USER MOD Set 1.2: A 72 LYS NZ :NH3+ -125:sc= 1.22 (180deg=0) USER MOD Set 2.1: A 62 ASN : amide:sc= -0.654 K(o=-0.44,f=-6!) USER MOD Set 2.2: A 65 ASN : amide:sc= 0.216 K(o=-0.44,f=-2.5) USER MOD Set 3.1: A 32 LYS NZ :NH3+ -155:sc= 1.16 (180deg=-0.223!) USER MOD Set 3.2: A 33 ASN : amide:sc= 1.15 K(o=2.3,f=-9.9!) USER MOD Set 4.1: A 5 HIS : no HD1:sc= -0.429 K(o=-1.4,f=-4.7) USER MOD Set 4.2: A 37 GLN : amide:sc= -0.958 K(o=-1.4,f=-3.9!) USER MOD Single : A 1 ILE N :NH3+ -131:sc= 0.0895 (180deg=-0.0971) USER MOD Single : A 8 SER OG : rot 58:sc= 0.00289 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-0.98) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 HIS : no HD1:sc= -0.532 K(o=-0.53,f=-1.4!) USER MOD Single : A 36 ASN : amide:sc= -0.0699 K(o=-0.07,f=-1.2) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -0.396 K(o=-0.4,f=-11!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -1.76! C(o=-1.8!,f=-3.8!) USER MOD Single : A 52 LYS NZ :NH3+ -178:sc= 1.34 (180deg=1.28) USER MOD Single : A 59 HIS : no HD1:sc= -0.545 X(o=-0.54,f=-0.21) USER MOD Single : A 60 ASN : amide:sc= 0.412 K(o=0.41,f=-0.39) USER MOD Single : A 76 ASN : amide:sc= -0.367 K(o=-0.37,f=-3.9!) USER MOD Single : A 79 TYR OH : rot -10:sc= 1.03 USER MOD Single : A 80 THR OG1 : rot -28:sc= 0.481! USER MOD Single : A 82 SER OG : rot -25:sc= -0.0469 USER MOD Single : A 84 ASN : amide:sc= -0.272 X(o=-0.27,f=-0.49) USER MOD Single : A 88 SER OG : rot 87:sc= 0.336 USER MOD Single : A 91 E2P O6 : rot 60:sc= -0.388 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -2.929 -9.373 11.293 1.00 -0.46 N ATOM 2 CA ILE A 1 -2.654 -9.577 9.862 1.00 0.04 C ATOM 3 C ILE A 1 -1.476 -10.516 9.671 1.00 0.62 C ATOM 4 O ILE A 1 -0.788 -10.796 10.639 1.00 -0.50 O ATOM 5 CB ILE A 1 -2.395 -8.254 9.065 1.00 -0.01 C ATOM 6 CG1 ILE A 1 -1.029 -7.599 9.436 1.00 -0.05 C ATOM 7 CG2 ILE A 1 -3.562 -7.239 9.234 1.00 -0.09 C ATOM 8 CD1 ILE A 1 -0.608 -6.499 8.431 1.00 -0.09 C ATOM 0 H1 ILE A 1 -3.944 -9.512 11.475 1.00 -0.46 H new ATOM 0 H2 ILE A 1 -2.380 -10.057 11.853 1.00 -0.46 H new ATOM 0 H3 ILE A 1 -2.658 -8.406 11.564 1.00 -0.46 H new ATOM 0 HA ILE A 1 -3.564 -10.017 9.454 1.00 0.04 H new ATOM 0 HB ILE A 1 -2.346 -8.534 8.013 1.00 -0.01 H new ATOM 0 HG12 ILE A 1 -1.096 -7.168 10.435 1.00 -0.05 H new ATOM 0 HG13 ILE A 1 -0.258 -8.369 9.472 1.00 -0.05 H new ATOM 0 HG21 ILE A 1 -3.343 -6.335 8.666 1.00 -0.09 H new ATOM 0 HG22 ILE A 1 -4.487 -7.684 8.867 1.00 -0.09 H new ATOM 0 HG23 ILE A 1 -3.675 -6.986 10.288 1.00 -0.09 H new ATOM 0 HD11 ILE A 1 0.349 -6.075 8.735 1.00 -0.09 H new ATOM 0 HD12 ILE A 1 -0.513 -6.933 7.436 1.00 -0.09 H new ATOM 0 HD13 ILE A 1 -1.363 -5.713 8.414 1.00 -0.09 H new ATOM 22 N ASP A 2 -1.217 -10.996 8.432 1.00 -0.46 N ATOM 23 CA ASP A 2 -0.080 -11.884 8.190 1.00 0.04 C ATOM 24 C ASP A 2 0.637 -11.566 6.892 1.00 0.62 C ATOM 25 O ASP A 2 1.146 -12.487 6.274 1.00 -0.50 O ATOM 26 CB ASP A 2 -0.673 -13.318 8.167 1.00 -0.40 C ATOM 27 CG ASP A 2 -1.637 -13.489 7.021 1.00 0.71 C ATOM 28 OD1 ASP A 2 -1.993 -12.465 6.371 1.00 -0.72 O ATOM 29 OD2 ASP A 2 -2.049 -14.648 6.756 1.00 -0.72 O ATOM 0 H ASP A 2 -1.775 -10.782 7.605 1.00 -0.46 H new ATOM 0 HA ASP A 2 0.676 -11.766 8.966 1.00 0.04 H new ATOM 0 HB2 ASP A 2 0.133 -14.047 8.080 1.00 -0.40 H new ATOM 0 HB3 ASP A 2 -1.184 -13.519 9.109 1.00 -0.40 H new ATOM 34 N CYS A 3 0.698 -10.292 6.434 1.00 -0.46 N ATOM 35 CA CYS A 3 1.355 -9.973 5.157 1.00 0.04 C ATOM 36 C CYS A 3 0.527 -10.475 3.984 1.00 0.62 C ATOM 37 O CYS A 3 0.167 -9.669 3.141 1.00 -0.50 O ATOM 38 CB CYS A 3 2.815 -10.511 5.116 1.00 -0.10 C ATOM 39 SG CYS A 3 3.975 -9.606 4.034 1.00 0.82 S ATOM 0 H CYS A 3 0.307 -9.487 6.924 1.00 -0.46 H new ATOM 0 HA CYS A 3 1.419 -8.888 5.071 1.00 0.04 H new ATOM 0 HB2 CYS A 3 3.213 -10.500 6.131 1.00 -0.10 H new ATOM 0 HB3 CYS A 3 2.788 -11.552 4.795 1.00 -0.10 H new ATOM 44 N GLY A 4 0.212 -11.787 3.878 1.00 -0.46 N ATOM 45 CA GLY A 4 -0.609 -12.265 2.764 1.00 0.04 C ATOM 46 C GLY A 4 -1.977 -11.620 2.748 1.00 0.62 C ATOM 47 O GLY A 4 -2.461 -11.249 1.690 1.00 -0.50 O ATOM 0 H GLY A 4 0.509 -12.508 4.535 1.00 -0.46 H new ATOM 0 HA2 GLY A 4 -0.099 -12.057 1.823 1.00 0.04 H new ATOM 0 HA3 GLY A 4 -0.720 -13.347 2.834 1.00 0.04 H new ATOM 51 N HIS A 5 -2.633 -11.481 3.920 1.00 -0.46 N ATOM 52 CA HIS A 5 -3.950 -10.840 3.957 1.00 0.04 C ATOM 53 C HIS A 5 -3.853 -9.446 3.374 1.00 0.62 C ATOM 54 O HIS A 5 -4.653 -9.094 2.522 1.00 -0.50 O ATOM 55 CB HIS A 5 -4.491 -10.810 5.410 1.00 -0.10 C ATOM 56 CG HIS A 5 -5.752 -9.999 5.531 1.00 0.06 C ATOM 57 ND1 HIS A 5 -6.861 -10.167 4.873 1.00 -0.06 N ATOM 58 CD2 HIS A 5 -5.948 -8.961 6.346 1.00 -0.04 C ATOM 59 CE1 HIS A 5 -7.761 -9.294 5.220 1.00 0.11 C ATOM 60 NE2 HIS A 5 -7.168 -8.570 6.123 1.00 -0.06 N ATOM 0 H HIS A 5 -2.280 -11.796 4.824 1.00 -0.46 H new ATOM 0 HA HIS A 5 -4.653 -11.415 3.354 1.00 0.04 H new ATOM 0 HB2 HIS A 5 -4.683 -11.829 5.745 1.00 -0.10 H new ATOM 0 HB3 HIS A 5 -3.730 -10.395 6.071 1.00 -0.10 H new ATOM 0 HD2 HIS A 5 -5.242 -8.535 7.044 1.00 -0.04 H new ATOM 0 HE1 HIS A 5 -8.769 -9.194 4.845 1.00 0.11 H new ATOM 0 HE2 HIS A 5 -7.609 -7.785 6.602 1.00 -0.06 H new ATOM 69 N VAL A 6 -2.855 -8.640 3.795 1.00 -0.46 N ATOM 70 CA VAL A 6 -2.602 -7.368 3.108 1.00 0.04 C ATOM 71 C VAL A 6 -2.465 -7.625 1.623 1.00 0.62 C ATOM 72 O VAL A 6 -3.188 -7.028 0.840 1.00 -0.50 O ATOM 73 CB VAL A 6 -1.332 -6.665 3.686 1.00 -0.01 C ATOM 74 CG1 VAL A 6 -0.600 -5.756 2.660 1.00 -0.09 C ATOM 75 CG2 VAL A 6 -1.714 -5.857 4.955 1.00 -0.09 C ATOM 0 H VAL A 6 -2.235 -8.842 4.579 1.00 -0.46 H new ATOM 0 HA VAL A 6 -3.442 -6.694 3.273 1.00 0.04 H new ATOM 0 HB VAL A 6 -0.625 -7.454 3.942 1.00 -0.01 H new ATOM 0 HG11 VAL A 6 0.271 -5.302 3.133 1.00 -0.09 H new ATOM 0 HG12 VAL A 6 -0.280 -6.355 1.807 1.00 -0.09 H new ATOM 0 HG13 VAL A 6 -1.277 -4.973 2.319 1.00 -0.09 H new ATOM 0 HG21 VAL A 6 -0.826 -5.368 5.356 1.00 -0.09 H new ATOM 0 HG22 VAL A 6 -2.458 -5.103 4.696 1.00 -0.09 H new ATOM 0 HG23 VAL A 6 -2.127 -6.531 5.705 1.00 -0.09 H new ATOM 85 N ASP A 7 -1.542 -8.524 1.215 1.00 -0.46 N ATOM 86 CA ASP A 7 -1.335 -8.762 -0.214 1.00 0.04 C ATOM 87 C ASP A 7 -2.625 -9.150 -0.919 1.00 0.62 C ATOM 88 O ASP A 7 -2.746 -8.920 -2.112 1.00 -0.50 O ATOM 89 CB ASP A 7 -0.241 -9.840 -0.435 1.00 -0.40 C ATOM 90 CG ASP A 7 0.168 -9.890 -1.880 1.00 0.71 C ATOM 91 OD1 ASP A 7 1.021 -9.058 -2.285 1.00 -0.72 O ATOM 92 OD2 ASP A 7 -0.368 -10.761 -2.618 1.00 -0.72 O ATOM 0 H ASP A 7 -0.951 -9.075 1.837 1.00 -0.46 H new ATOM 0 HA ASP A 7 -0.996 -7.825 -0.655 1.00 0.04 H new ATOM 0 HB2 ASP A 7 0.626 -9.618 0.187 1.00 -0.40 H new ATOM 0 HB3 ASP A 7 -0.615 -10.815 -0.123 1.00 -0.40 H new ATOM 97 N SER A 8 -3.623 -9.733 -0.220 1.00 -0.46 N ATOM 98 CA SER A 8 -4.916 -9.980 -0.860 1.00 0.04 C ATOM 99 C SER A 8 -5.639 -8.670 -1.114 1.00 0.62 C ATOM 100 O SER A 8 -6.190 -8.490 -2.188 1.00 -0.50 O ATOM 101 CB SER A 8 -5.828 -10.907 -0.011 1.00 0.02 C ATOM 102 OG SER A 8 -5.245 -12.211 0.158 1.00 -0.55 O ATOM 0 H SER A 8 -3.556 -10.030 0.754 1.00 -0.46 H new ATOM 0 HA SER A 8 -4.708 -10.483 -1.804 1.00 0.04 H new ATOM 0 HB2 SER A 8 -5.999 -10.455 0.966 1.00 0.02 H new ATOM 0 HB3 SER A 8 -6.801 -11.002 -0.493 1.00 0.02 H new ATOM 0 HG SER A 8 -4.366 -12.124 0.582 1.00 -0.55 H new ATOM 108 N LEU A 9 -5.667 -7.731 -0.138 1.00 -0.46 N ATOM 109 CA LEU A 9 -6.435 -6.495 -0.325 1.00 0.04 C ATOM 110 C LEU A 9 -5.802 -5.541 -1.319 1.00 0.62 C ATOM 111 O LEU A 9 -6.523 -4.752 -1.911 1.00 -0.50 O ATOM 112 CB LEU A 9 -6.656 -5.710 1.001 1.00 -0.06 C ATOM 113 CG LEU A 9 -7.237 -6.545 2.183 1.00 -0.01 C ATOM 114 CD1 LEU A 9 -7.703 -5.584 3.312 1.00 -0.11 C ATOM 115 CD2 LEU A 9 -8.418 -7.454 1.747 1.00 -0.11 C ATOM 0 H LEU A 9 -5.181 -7.808 0.756 1.00 -0.46 H new ATOM 0 HA LEU A 9 -7.392 -6.844 -0.713 1.00 0.04 H new ATOM 0 HB2 LEU A 9 -5.703 -5.283 1.314 1.00 -0.06 H new ATOM 0 HB3 LEU A 9 -7.329 -4.876 0.802 1.00 -0.06 H new ATOM 0 HG LEU A 9 -6.444 -7.200 2.543 1.00 -0.01 H new ATOM 0 HD11 LEU A 9 -8.110 -6.165 4.140 1.00 -0.11 H new ATOM 0 HD12 LEU A 9 -6.855 -4.997 3.663 1.00 -0.11 H new ATOM 0 HD13 LEU A 9 -8.472 -4.915 2.926 1.00 -0.11 H new ATOM 0 HD21 LEU A 9 -8.784 -8.013 2.608 1.00 -0.11 H new ATOM 0 HD22 LEU A 9 -9.222 -6.838 1.345 1.00 -0.11 H new ATOM 0 HD23 LEU A 9 -8.077 -8.151 0.981 1.00 -0.11 H new ATOM 127 N VAL A 10 -4.467 -5.568 -1.525 1.00 -0.46 N ATOM 128 CA VAL A 10 -3.857 -4.645 -2.491 1.00 0.04 C ATOM 129 C VAL A 10 -4.196 -5.039 -3.915 1.00 0.62 C ATOM 130 O VAL A 10 -4.211 -4.160 -4.763 1.00 -0.50 O ATOM 131 CB VAL A 10 -2.306 -4.537 -2.376 1.00 -0.01 C ATOM 132 CG1 VAL A 10 -1.848 -4.248 -0.920 1.00 -0.09 C ATOM 133 CG2 VAL A 10 -1.612 -5.804 -2.943 1.00 -0.09 C ATOM 0 H VAL A 10 -3.817 -6.196 -1.052 1.00 -0.46 H new ATOM 0 HA VAL A 10 -4.280 -3.671 -2.244 1.00 0.04 H new ATOM 0 HB VAL A 10 -1.998 -3.685 -2.982 1.00 -0.01 H new ATOM 0 HG11 VAL A 10 -0.761 -4.181 -0.887 1.00 -0.09 H new ATOM 0 HG12 VAL A 10 -2.280 -3.306 -0.583 1.00 -0.09 H new ATOM 0 HG13 VAL A 10 -2.182 -5.054 -0.267 1.00 -0.09 H new ATOM 0 HG21 VAL A 10 -0.531 -5.700 -2.849 1.00 -0.09 H new ATOM 0 HG22 VAL A 10 -1.942 -6.680 -2.385 1.00 -0.09 H new ATOM 0 HG23 VAL A 10 -1.875 -5.923 -3.994 1.00 -0.09 H new ATOM 143 N ARG A 11 -4.444 -6.339 -4.208 1.00 -0.46 N ATOM 144 CA ARG A 11 -4.615 -6.782 -5.595 1.00 0.04 C ATOM 145 C ARG A 11 -5.384 -5.813 -6.477 1.00 0.62 C ATOM 146 O ARG A 11 -4.831 -5.454 -7.506 1.00 -0.50 O ATOM 147 CB ARG A 11 -5.167 -8.228 -5.767 1.00 -0.08 C ATOM 148 CG ARG A 11 -4.364 -9.350 -5.041 1.00 -0.10 C ATOM 149 CD ARG A 11 -2.830 -9.305 -5.284 1.00 -0.23 C ATOM 150 NE ARG A 11 -2.178 -10.402 -4.559 1.00 -0.32 N ATOM 151 CZ ARG A 11 -2.071 -11.639 -4.995 1.00 0.76 C ATOM 152 NH1 ARG A 11 -2.581 -12.050 -6.129 1.00 -0.62 N ATOM 153 NH2 ARG A 11 -1.423 -12.511 -4.261 1.00 -0.62 N ATOM 0 H ARG A 11 -4.527 -7.079 -3.511 1.00 -0.46 H new ATOM 0 HA ARG A 11 -3.584 -6.798 -5.949 1.00 0.04 H new ATOM 0 HB2 ARG A 11 -6.195 -8.250 -5.405 1.00 -0.08 H new ATOM 0 HB3 ARG A 11 -5.199 -8.461 -6.831 1.00 -0.08 H new ATOM 0 HG2 ARG A 11 -4.552 -9.278 -3.970 1.00 -0.10 H new ATOM 0 HG3 ARG A 11 -4.742 -10.319 -5.367 1.00 -0.10 H new ATOM 0 HD2 ARG A 11 -2.619 -9.386 -6.350 1.00 -0.23 H new ATOM 0 HD3 ARG A 11 -2.428 -8.348 -4.951 1.00 -0.23 H new ATOM 0 HE ARG A 11 -1.776 -10.189 -3.646 1.00 -0.32 H new ATOM 0 HH11 ARG A 11 -3.092 -11.398 -6.724 1.00 -0.62 H new ATOM 0 HH12 ARG A 11 -2.467 -13.022 -6.417 1.00 -0.62 H new ATOM 0 HH21 ARG A 11 -1.014 -12.225 -3.371 1.00 -0.62 H new ATOM 0 HH22 ARG A 11 -1.328 -13.475 -4.580 1.00 -0.62 H new ATOM 167 N PRO A 12 -6.618 -5.329 -6.179 1.00 -0.23 N ATOM 168 CA PRO A 12 -7.232 -4.354 -7.070 1.00 0.04 C ATOM 169 C PRO A 12 -6.307 -3.191 -7.355 1.00 0.53 C ATOM 170 O PRO A 12 -6.189 -2.803 -8.504 1.00 -0.50 O ATOM 171 CB PRO A 12 -8.499 -3.965 -6.259 1.00 -0.12 C ATOM 172 CG PRO A 12 -8.221 -4.454 -4.815 1.00 -0.12 C ATOM 173 CD PRO A 12 -7.391 -5.743 -5.017 1.00 -0.01 C ATOM 0 HA PRO A 12 -7.462 -4.724 -8.069 1.00 0.04 H new ATOM 0 HB2 PRO A 12 -8.668 -2.889 -6.285 1.00 -0.12 H new ATOM 0 HB3 PRO A 12 -9.391 -4.438 -6.670 1.00 -0.12 H new ATOM 0 HG2 PRO A 12 -7.671 -3.710 -4.239 1.00 -0.12 H new ATOM 0 HG3 PRO A 12 -9.146 -4.654 -4.275 1.00 -0.12 H new ATOM 0 HD2 PRO A 12 -6.765 -5.981 -4.157 1.00 -0.01 H new ATOM 0 HD3 PRO A 12 -8.011 -6.618 -5.212 1.00 -0.01 H new ATOM 181 N CYS A 13 -5.615 -2.613 -6.351 1.00 -0.46 N ATOM 182 CA CYS A 13 -4.743 -1.469 -6.631 1.00 0.04 C ATOM 183 C CYS A 13 -3.626 -1.868 -7.579 1.00 0.62 C ATOM 184 O CYS A 13 -3.347 -1.128 -8.510 1.00 -0.50 O ATOM 185 CB CYS A 13 -4.171 -0.897 -5.305 1.00 -0.10 C ATOM 186 SG CYS A 13 -5.507 -0.562 -4.106 1.00 0.82 S ATOM 0 H CYS A 13 -5.644 -2.910 -5.376 1.00 -0.46 H new ATOM 0 HA CYS A 13 -5.330 -0.690 -7.116 1.00 0.04 H new ATOM 0 HB2 CYS A 13 -3.461 -1.604 -4.876 1.00 -0.10 H new ATOM 0 HB3 CYS A 13 -3.621 0.022 -5.508 1.00 -0.10 H new ATOM 191 N LEU A 14 -2.992 -3.041 -7.342 1.00 -0.46 N ATOM 192 CA LEU A 14 -1.858 -3.506 -8.159 1.00 0.04 C ATOM 193 C LEU A 14 -1.953 -3.088 -9.622 1.00 0.62 C ATOM 194 O LEU A 14 -0.996 -2.567 -10.172 1.00 -0.50 O ATOM 195 CB LEU A 14 -1.744 -5.063 -8.076 1.00 -0.06 C ATOM 196 CG LEU A 14 -0.333 -5.699 -8.281 1.00 -0.01 C ATOM 197 CD1 LEU A 14 0.369 -5.228 -9.579 1.00 -0.11 C ATOM 198 CD2 LEU A 14 0.604 -5.484 -7.058 1.00 -0.11 C ATOM 0 H LEU A 14 -3.251 -3.679 -6.590 1.00 -0.46 H new ATOM 0 HA LEU A 14 -0.968 -3.030 -7.747 1.00 0.04 H new ATOM 0 HB2 LEU A 14 -2.114 -5.375 -7.099 1.00 -0.06 H new ATOM 0 HB3 LEU A 14 -2.415 -5.489 -8.822 1.00 -0.06 H new ATOM 0 HG LEU A 14 -0.524 -6.767 -8.381 1.00 -0.01 H new ATOM 0 HD11 LEU A 14 1.344 -5.708 -9.660 1.00 -0.11 H new ATOM 0 HD12 LEU A 14 -0.241 -5.498 -10.441 1.00 -0.11 H new ATOM 0 HD13 LEU A 14 0.498 -4.146 -9.551 1.00 -0.11 H new ATOM 0 HD21 LEU A 14 1.571 -5.946 -7.255 1.00 -0.11 H new ATOM 0 HD22 LEU A 14 0.740 -4.416 -6.887 1.00 -0.11 H new ATOM 0 HD23 LEU A 14 0.158 -5.939 -6.173 1.00 -0.11 H new ATOM 210 N SER A 15 -3.105 -3.310 -10.295 1.00 -0.46 N ATOM 211 CA SER A 15 -3.174 -3.032 -11.735 1.00 0.04 C ATOM 212 C SER A 15 -2.998 -1.558 -12.046 1.00 0.62 C ATOM 213 O SER A 15 -2.084 -1.205 -12.775 1.00 -0.50 O ATOM 214 CB SER A 15 -4.501 -3.544 -12.361 1.00 0.02 C ATOM 215 OG SER A 15 -4.554 -4.981 -12.388 1.00 -0.55 O ATOM 0 H SER A 15 -3.965 -3.667 -9.878 1.00 -0.46 H new ATOM 0 HA SER A 15 -2.343 -3.577 -12.183 1.00 0.04 H new ATOM 0 HB2 SER A 15 -5.346 -3.159 -11.790 1.00 0.02 H new ATOM 0 HB3 SER A 15 -4.599 -3.157 -13.375 1.00 0.02 H new ATOM 0 HG SER A 15 -5.402 -5.270 -12.786 1.00 -0.55 H new ATOM 221 N TYR A 16 -3.861 -0.669 -11.507 1.00 -0.46 N ATOM 222 CA TYR A 16 -3.713 0.766 -11.784 1.00 0.04 C ATOM 223 C TYR A 16 -2.318 1.167 -11.359 1.00 0.62 C ATOM 224 O TYR A 16 -1.604 1.827 -12.100 1.00 -0.50 O ATOM 225 CB TYR A 16 -4.804 1.591 -11.033 1.00 -0.10 C ATOM 226 CG TYR A 16 -4.943 3.056 -11.498 1.00 -0.03 C ATOM 227 CD1 TYR A 16 -3.863 3.946 -11.443 1.00 0.00 C ATOM 228 CD2 TYR A 16 -6.171 3.536 -11.974 1.00 0.00 C ATOM 229 CE1 TYR A 16 -3.988 5.266 -11.880 1.00 -0.26 C ATOM 230 CE2 TYR A 16 -6.302 4.856 -12.416 1.00 -0.26 C ATOM 231 CZ TYR A 16 -5.212 5.727 -12.376 1.00 0.46 C ATOM 232 OH TYR A 16 -5.366 7.041 -12.823 1.00 -0.53 O ATOM 0 H TYR A 16 -4.641 -0.914 -10.898 1.00 -0.46 H new ATOM 0 HA TYR A 16 -3.850 0.970 -12.846 1.00 0.04 H new ATOM 0 HB2 TYR A 16 -5.765 1.093 -11.157 1.00 -0.10 H new ATOM 0 HB3 TYR A 16 -4.576 1.583 -9.967 1.00 -0.10 H new ATOM 0 HD1 TYR A 16 -2.915 3.604 -11.055 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -7.027 2.878 -12.000 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -3.139 5.932 -11.835 1.00 -0.26 H new ATOM 0 HE2 TYR A 16 -7.253 5.204 -12.791 1.00 -0.26 H new ATOM 0 HH TYR A 16 -6.286 7.176 -13.132 1.00 -0.53 H new ATOM 242 N VAL A 17 -1.931 0.739 -10.139 1.00 -0.46 N ATOM 243 CA VAL A 17 -0.618 1.081 -9.592 1.00 0.04 C ATOM 244 C VAL A 17 0.496 0.887 -10.596 1.00 0.62 C ATOM 245 O VAL A 17 1.340 1.763 -10.703 1.00 -0.50 O ATOM 246 CB VAL A 17 -0.361 0.230 -8.317 1.00 -0.01 C ATOM 247 CG1 VAL A 17 1.132 0.174 -7.906 1.00 -0.09 C ATOM 248 CG2 VAL A 17 -1.213 0.762 -7.142 1.00 -0.09 C ATOM 0 H VAL A 17 -2.508 0.163 -9.526 1.00 -0.46 H new ATOM 0 HA VAL A 17 -0.623 2.141 -9.338 1.00 0.04 H new ATOM 0 HB VAL A 17 -0.656 -0.791 -8.562 1.00 -0.01 H new ATOM 0 HG11 VAL A 17 1.240 -0.436 -7.009 1.00 -0.09 H new ATOM 0 HG12 VAL A 17 1.716 -0.264 -8.715 1.00 -0.09 H new ATOM 0 HG13 VAL A 17 1.492 1.183 -7.704 1.00 -0.09 H new ATOM 0 HG21 VAL A 17 -1.025 0.159 -6.254 1.00 -0.09 H new ATOM 0 HG22 VAL A 17 -0.946 1.799 -6.939 1.00 -0.09 H new ATOM 0 HG23 VAL A 17 -2.270 0.704 -7.403 1.00 -0.09 H new ATOM 258 N GLN A 18 0.533 -0.242 -11.339 1.00 -0.46 N ATOM 259 CA GLN A 18 1.615 -0.417 -12.308 1.00 0.04 C ATOM 260 C GLN A 18 1.687 0.788 -13.221 1.00 0.62 C ATOM 261 O GLN A 18 2.766 1.341 -13.374 1.00 -0.50 O ATOM 262 CB GLN A 18 1.488 -1.707 -13.165 1.00 -0.10 C ATOM 263 CG GLN A 18 1.877 -2.968 -12.347 1.00 -0.10 C ATOM 264 CD GLN A 18 1.712 -4.257 -13.114 1.00 0.68 C ATOM 265 OE1 GLN A 18 1.089 -4.270 -14.163 1.00 -0.47 O ATOM 266 NE2 GLN A 18 2.261 -5.379 -12.606 1.00 -0.87 N ATOM 0 H GLN A 18 -0.141 -1.005 -11.286 1.00 -0.46 H new ATOM 0 HA GLN A 18 2.531 -0.518 -11.725 1.00 0.04 H new ATOM 0 HB2 GLN A 18 0.465 -1.807 -13.526 1.00 -0.10 H new ATOM 0 HB3 GLN A 18 2.130 -1.628 -14.043 1.00 -0.10 H new ATOM 0 HG2 GLN A 18 2.914 -2.877 -12.024 1.00 -0.10 H new ATOM 0 HG3 GLN A 18 1.265 -3.010 -11.446 1.00 -0.10 H new ATOM 0 HE21 GLN A 18 2.777 -5.341 -11.727 1.00 -0.87 H new ATOM 0 HE22 GLN A 18 2.160 -6.265 -13.101 1.00 -0.87 H new ATOM 275 N GLY A 19 0.560 1.220 -13.831 1.00 -0.46 N ATOM 276 CA GLY A 19 0.639 2.381 -14.714 1.00 0.04 C ATOM 277 C GLY A 19 -0.646 2.831 -15.379 1.00 0.62 C ATOM 278 O GLY A 19 -0.622 3.029 -16.583 1.00 -0.50 O ATOM 0 H GLY A 19 -0.365 0.801 -13.731 1.00 -0.46 H new ATOM 0 HA2 GLY A 19 1.033 3.218 -14.138 1.00 0.04 H new ATOM 0 HA3 GLY A 19 1.366 2.162 -15.496 1.00 0.04 H new ATOM 282 N GLY A 20 -1.761 3.040 -14.637 1.00 -0.46 N ATOM 283 CA GLY A 20 -2.929 3.713 -15.216 1.00 0.04 C ATOM 284 C GLY A 20 -4.203 2.922 -15.434 1.00 0.62 C ATOM 285 O GLY A 20 -5.238 3.568 -15.355 1.00 -0.50 O ATOM 0 H GLY A 20 -1.867 2.757 -13.663 1.00 -0.46 H new ATOM 0 HA2 GLY A 20 -3.173 4.558 -14.573 1.00 0.04 H new ATOM 0 HA3 GLY A 20 -2.628 4.123 -16.180 1.00 0.04 H new ATOM 289 N PRO A 21 -4.260 1.601 -15.746 1.00 -0.23 N ATOM 290 CA PRO A 21 -5.547 1.005 -16.095 1.00 0.04 C ATOM 291 C PRO A 21 -6.427 0.882 -14.875 1.00 0.53 C ATOM 292 O PRO A 21 -6.041 1.344 -13.816 1.00 -0.50 O ATOM 293 CB PRO A 21 -5.073 -0.361 -16.653 1.00 -0.12 C ATOM 294 CG PRO A 21 -3.786 -0.644 -15.848 1.00 -0.12 C ATOM 295 CD PRO A 21 -3.089 0.736 -15.792 1.00 -0.01 C ATOM 0 HA PRO A 21 -6.162 1.570 -16.795 1.00 0.04 H new ATOM 0 HB2 PRO A 21 -5.821 -1.139 -16.502 1.00 -0.12 H new ATOM 0 HB3 PRO A 21 -4.875 -0.312 -17.724 1.00 -0.12 H new ATOM 0 HG2 PRO A 21 -4.011 -1.022 -14.851 1.00 -0.12 H new ATOM 0 HG3 PRO A 21 -3.161 -1.390 -16.338 1.00 -0.12 H new ATOM 0 HD2 PRO A 21 -2.452 0.847 -14.914 1.00 -0.01 H new ATOM 0 HD3 PRO A 21 -2.464 0.924 -16.665 1.00 -0.01 H new ATOM 303 N GLY A 22 -7.626 0.273 -14.989 1.00 -0.46 N ATOM 304 CA GLY A 22 -8.481 0.135 -13.810 1.00 0.04 C ATOM 305 C GLY A 22 -7.814 -0.664 -12.711 1.00 0.62 C ATOM 306 O GLY A 22 -6.731 -1.177 -12.947 1.00 -0.50 O ATOM 0 H GLY A 22 -8.006 -0.115 -15.853 1.00 -0.46 H new ATOM 0 HA2 GLY A 22 -8.739 1.124 -13.432 1.00 0.04 H new ATOM 0 HA3 GLY A 22 -9.414 -0.351 -14.095 1.00 0.04 H new ATOM 310 N PRO A 23 -8.410 -0.826 -11.501 1.00 -0.23 N ATOM 311 CA PRO A 23 -9.706 -0.258 -11.162 1.00 0.04 C ATOM 312 C PRO A 23 -9.560 1.000 -10.338 1.00 0.53 C ATOM 313 O PRO A 23 -8.457 1.459 -10.092 1.00 -0.50 O ATOM 314 CB PRO A 23 -10.162 -1.395 -10.213 1.00 -0.12 C ATOM 315 CG PRO A 23 -8.880 -1.719 -9.410 1.00 -0.12 C ATOM 316 CD PRO A 23 -7.763 -1.625 -10.478 1.00 -0.01 C ATOM 0 HA PRO A 23 -10.340 0.009 -12.008 1.00 0.04 H new ATOM 0 HB2 PRO A 23 -10.975 -1.074 -9.562 1.00 -0.12 H new ATOM 0 HB3 PRO A 23 -10.521 -2.263 -10.767 1.00 -0.12 H new ATOM 0 HG2 PRO A 23 -8.722 -1.009 -8.598 1.00 -0.12 H new ATOM 0 HG3 PRO A 23 -8.926 -2.711 -8.961 1.00 -0.12 H new ATOM 0 HD2 PRO A 23 -6.864 -1.146 -10.091 1.00 -0.01 H new ATOM 0 HD3 PRO A 23 -7.467 -2.606 -10.850 1.00 -0.01 H new ATOM 324 N SER A 24 -10.708 1.530 -9.870 1.00 -0.46 N ATOM 325 CA SER A 24 -10.717 2.578 -8.851 1.00 0.04 C ATOM 326 C SER A 24 -11.905 2.297 -7.957 1.00 0.62 C ATOM 327 O SER A 24 -12.665 1.402 -8.294 1.00 -0.50 O ATOM 328 CB SER A 24 -10.811 3.955 -9.551 1.00 0.02 C ATOM 329 OG SER A 24 -11.966 4.019 -10.404 1.00 -0.55 O ATOM 0 H SER A 24 -11.635 1.245 -10.186 1.00 -0.46 H new ATOM 0 HA SER A 24 -9.810 2.592 -8.247 1.00 0.04 H new ATOM 0 HB2 SER A 24 -10.863 4.745 -8.802 1.00 0.02 H new ATOM 0 HB3 SER A 24 -9.910 4.131 -10.138 1.00 0.02 H new ATOM 0 HG SER A 24 -12.006 4.898 -10.835 1.00 -0.55 H new ATOM 335 N GLY A 25 -12.111 2.992 -6.818 1.00 -0.46 N ATOM 336 CA GLY A 25 -13.250 2.635 -5.968 1.00 0.04 C ATOM 337 C GLY A 25 -12.964 1.333 -5.250 1.00 0.62 C ATOM 338 O GLY A 25 -12.754 1.366 -4.048 1.00 -0.50 O ATOM 0 H GLY A 25 -11.533 3.763 -6.484 1.00 -0.46 H new ATOM 0 HA2 GLY A 25 -13.437 3.427 -5.243 1.00 0.04 H new ATOM 0 HA3 GLY A 25 -14.151 2.537 -6.573 1.00 0.04 H new ATOM 342 N GLN A 26 -12.916 0.177 -5.953 1.00 -0.46 N ATOM 343 CA GLN A 26 -12.533 -1.073 -5.289 1.00 0.04 C ATOM 344 C GLN A 26 -11.189 -0.871 -4.623 1.00 0.62 C ATOM 345 O GLN A 26 -11.039 -1.154 -3.445 1.00 -0.50 O ATOM 346 CB GLN A 26 -12.412 -2.275 -6.268 1.00 -0.10 C ATOM 347 CG GLN A 26 -13.782 -2.711 -6.853 1.00 -0.10 C ATOM 348 CD GLN A 26 -13.588 -3.852 -7.823 1.00 0.68 C ATOM 349 OE1 GLN A 26 -13.661 -3.637 -9.022 1.00 -0.47 O ATOM 350 NE2 GLN A 26 -13.326 -5.083 -7.339 1.00 -0.87 N ATOM 0 H GLN A 26 -13.131 0.092 -6.946 1.00 -0.46 H new ATOM 0 HA GLN A 26 -13.319 -1.311 -4.572 1.00 0.04 H new ATOM 0 HB2 GLN A 26 -11.741 -2.007 -7.085 1.00 -0.10 H new ATOM 0 HB3 GLN A 26 -11.959 -3.118 -5.747 1.00 -0.10 H new ATOM 0 HG2 GLN A 26 -14.450 -3.017 -6.048 1.00 -0.10 H new ATOM 0 HG3 GLN A 26 -14.256 -1.869 -7.358 1.00 -0.10 H new ATOM 0 HE21 GLN A 26 -13.271 -5.234 -6.332 1.00 -0.87 H new ATOM 0 HE22 GLN A 26 -13.183 -5.863 -7.980 1.00 -0.87 H new ATOM 359 N CYS A 27 -10.182 -0.355 -5.364 1.00 -0.46 N ATOM 360 CA CYS A 27 -8.905 -0.065 -4.719 1.00 0.04 C ATOM 361 C CYS A 27 -9.135 0.893 -3.571 1.00 0.62 C ATOM 362 O CYS A 27 -8.550 0.672 -2.523 1.00 -0.50 O ATOM 363 CB CYS A 27 -7.875 0.528 -5.714 1.00 -0.10 C ATOM 364 SG CYS A 27 -6.386 1.116 -4.836 1.00 0.82 S ATOM 0 H CYS A 27 -10.232 -0.143 -6.360 1.00 -0.46 H new ATOM 0 HA CYS A 27 -8.490 -1.001 -4.347 1.00 0.04 H new ATOM 0 HB2 CYS A 27 -7.595 -0.228 -6.448 1.00 -0.10 H new ATOM 0 HB3 CYS A 27 -8.328 1.353 -6.264 1.00 -0.10 H new ATOM 369 N CYS A 28 -9.960 1.955 -3.731 1.00 -0.46 N ATOM 370 CA CYS A 28 -10.184 2.877 -2.616 1.00 0.04 C ATOM 371 C CYS A 28 -10.717 2.146 -1.402 1.00 0.62 C ATOM 372 O CYS A 28 -10.272 2.444 -0.304 1.00 -0.50 O ATOM 373 CB CYS A 28 -11.125 4.058 -2.961 1.00 -0.10 C ATOM 374 SG CYS A 28 -11.035 5.260 -1.589 1.00 0.82 S ATOM 0 H CYS A 28 -10.460 2.181 -4.591 1.00 -0.46 H new ATOM 0 HA CYS A 28 -9.205 3.302 -2.395 1.00 0.04 H new ATOM 0 HB2 CYS A 28 -10.824 4.525 -3.899 1.00 -0.10 H new ATOM 0 HB3 CYS A 28 -12.148 3.706 -3.094 1.00 -0.10 H new ATOM 379 N ASP A 29 -11.651 1.184 -1.572 1.00 -0.46 N ATOM 380 CA ASP A 29 -12.083 0.387 -0.427 1.00 0.04 C ATOM 381 C ASP A 29 -10.855 -0.282 0.156 1.00 0.62 C ATOM 382 O ASP A 29 -10.624 -0.210 1.353 1.00 -0.50 O ATOM 383 CB ASP A 29 -13.173 -0.645 -0.821 1.00 -0.40 C ATOM 384 CG ASP A 29 -13.644 -1.383 0.402 1.00 0.71 C ATOM 385 OD1 ASP A 29 -14.529 -0.849 1.123 1.00 -0.72 O ATOM 386 OD2 ASP A 29 -13.124 -2.497 0.670 1.00 -0.72 O ATOM 0 H ASP A 29 -12.099 0.954 -2.459 1.00 -0.46 H new ATOM 0 HA ASP A 29 -12.546 1.030 0.322 1.00 0.04 H new ATOM 0 HB2 ASP A 29 -14.012 -0.137 -1.296 1.00 -0.40 H new ATOM 0 HB3 ASP A 29 -12.773 -1.350 -1.550 1.00 -0.40 H new ATOM 391 N GLY A 30 -10.024 -0.910 -0.705 1.00 -0.46 N ATOM 392 CA GLY A 30 -8.760 -1.459 -0.223 1.00 0.04 C ATOM 393 C GLY A 30 -7.953 -0.420 0.524 1.00 0.62 C ATOM 394 O GLY A 30 -7.373 -0.757 1.541 1.00 -0.50 O ATOM 0 H GLY A 30 -10.205 -1.041 -1.700 1.00 -0.46 H new ATOM 0 HA2 GLY A 30 -8.957 -2.308 0.432 1.00 0.04 H new ATOM 0 HA3 GLY A 30 -8.180 -1.834 -1.066 1.00 0.04 H new ATOM 398 N VAL A 31 -7.878 0.848 0.059 1.00 -0.46 N ATOM 399 CA VAL A 31 -7.054 1.839 0.756 1.00 0.04 C ATOM 400 C VAL A 31 -7.532 2.023 2.178 1.00 0.62 C ATOM 401 O VAL A 31 -6.752 1.814 3.095 1.00 -0.50 O ATOM 402 CB VAL A 31 -6.948 3.220 0.042 1.00 -0.01 C ATOM 403 CG1 VAL A 31 -6.053 4.183 0.875 1.00 -0.09 C ATOM 404 CG2 VAL A 31 -6.355 3.069 -1.387 1.00 -0.09 C ATOM 0 H VAL A 31 -8.364 1.193 -0.769 1.00 -0.46 H new ATOM 0 HA VAL A 31 -6.045 1.426 0.747 1.00 0.04 H new ATOM 0 HB VAL A 31 -7.953 3.633 -0.042 1.00 -0.01 H new ATOM 0 HG11 VAL A 31 -5.985 5.146 0.368 1.00 -0.09 H new ATOM 0 HG12 VAL A 31 -6.491 4.323 1.863 1.00 -0.09 H new ATOM 0 HG13 VAL A 31 -5.056 3.755 0.978 1.00 -0.09 H new ATOM 0 HG21 VAL A 31 -6.293 4.049 -1.861 1.00 -0.09 H new ATOM 0 HG22 VAL A 31 -5.358 2.633 -1.323 1.00 -0.09 H new ATOM 0 HG23 VAL A 31 -6.998 2.419 -1.981 1.00 -0.09 H new ATOM 414 N LYS A 32 -8.805 2.422 2.402 1.00 -0.46 N ATOM 415 CA LYS A 32 -9.247 2.610 3.785 1.00 0.04 C ATOM 416 C LYS A 32 -9.011 1.339 4.574 1.00 0.62 C ATOM 417 O LYS A 32 -8.637 1.426 5.732 1.00 -0.50 O ATOM 418 CB LYS A 32 -10.720 3.088 3.941 1.00 -0.10 C ATOM 419 CG LYS A 32 -11.752 2.019 3.501 1.00 -0.16 C ATOM 420 CD LYS A 32 -13.218 2.442 3.783 1.00 -0.18 C ATOM 421 CE LYS A 32 -14.241 1.485 3.106 1.00 -0.04 C ATOM 422 NZ LYS A 32 -14.000 0.048 3.389 1.00 -0.14 N ATOM 0 H LYS A 32 -9.503 2.609 1.682 1.00 -0.46 H new ATOM 0 HA LYS A 32 -8.644 3.425 4.184 1.00 0.04 H new ATOM 0 HB2 LYS A 32 -10.902 3.354 4.982 1.00 -0.10 H new ATOM 0 HB3 LYS A 32 -10.867 3.992 3.351 1.00 -0.10 H new ATOM 0 HG2 LYS A 32 -11.634 1.825 2.435 1.00 -0.16 H new ATOM 0 HG3 LYS A 32 -11.543 1.084 4.021 1.00 -0.16 H new ATOM 0 HD2 LYS A 32 -13.391 2.455 4.859 1.00 -0.18 H new ATOM 0 HD3 LYS A 32 -13.378 3.458 3.422 1.00 -0.18 H new ATOM 0 HE2 LYS A 32 -15.245 1.747 3.440 1.00 -0.04 H new ATOM 0 HE3 LYS A 32 -14.212 1.643 2.028 1.00 -0.04 H new ATOM 0 HZ1 LYS A 32 -14.403 -0.529 2.623 1.00 -0.14 H new ATOM 0 HZ2 LYS A 32 -12.977 -0.126 3.453 1.00 -0.14 H new ATOM 0 HZ3 LYS A 32 -14.452 -0.209 4.290 1.00 -0.14 H new ATOM 436 N ASN A 33 -9.215 0.144 3.970 1.00 -0.46 N ATOM 437 CA ASN A 33 -8.994 -1.094 4.717 1.00 0.04 C ATOM 438 C ASN A 33 -7.526 -1.226 5.074 1.00 0.62 C ATOM 439 O ASN A 33 -7.204 -1.511 6.216 1.00 -0.50 O ATOM 440 CB ASN A 33 -9.434 -2.336 3.896 1.00 -0.09 C ATOM 441 CG ASN A 33 -10.853 -2.252 3.384 1.00 0.68 C ATOM 442 OD1 ASN A 33 -11.626 -1.423 3.837 1.00 -0.47 O ATOM 443 ND2 ASN A 33 -11.231 -3.112 2.418 1.00 -0.87 N ATOM 0 H ASN A 33 -9.520 0.022 3.004 1.00 -0.46 H new ATOM 0 HA ASN A 33 -9.596 -1.048 5.624 1.00 0.04 H new ATOM 0 HB2 ASN A 33 -8.758 -2.460 3.050 1.00 -0.09 H new ATOM 0 HB3 ASN A 33 -9.333 -3.226 4.517 1.00 -0.09 H new ATOM 0 HD21 ASN A 33 -12.181 -3.079 2.049 1.00 -0.87 H new ATOM 0 HD22 ASN A 33 -10.567 -3.796 2.055 1.00 -0.87 H new ATOM 450 N LEU A 34 -6.613 -1.009 4.102 1.00 -0.46 N ATOM 451 CA LEU A 34 -5.178 -1.118 4.376 1.00 0.04 C ATOM 452 C LEU A 34 -4.826 -0.177 5.510 1.00 0.62 C ATOM 453 O LEU A 34 -4.212 -0.605 6.474 1.00 -0.50 O ATOM 454 CB LEU A 34 -4.349 -0.819 3.091 1.00 -0.06 C ATOM 455 CG LEU A 34 -4.481 -1.940 2.009 1.00 -0.01 C ATOM 456 CD1 LEU A 34 -4.205 -1.388 0.583 1.00 -0.11 C ATOM 457 CD2 LEU A 34 -3.521 -3.126 2.300 1.00 -0.11 C ATOM 0 H LEU A 34 -6.846 -0.762 3.140 1.00 -0.46 H new ATOM 0 HA LEU A 34 -4.931 -2.136 4.678 1.00 0.04 H new ATOM 0 HB2 LEU A 34 -4.676 0.130 2.666 1.00 -0.06 H new ATOM 0 HB3 LEU A 34 -3.299 -0.703 3.360 1.00 -0.06 H new ATOM 0 HG LEU A 34 -5.509 -2.300 2.054 1.00 -0.01 H new ATOM 0 HD11 LEU A 34 -4.305 -2.193 -0.145 1.00 -0.11 H new ATOM 0 HD12 LEU A 34 -4.922 -0.600 0.353 1.00 -0.11 H new ATOM 0 HD13 LEU A 34 -3.194 -0.983 0.539 1.00 -0.11 H new ATOM 0 HD21 LEU A 34 -3.639 -3.887 1.529 1.00 -0.11 H new ATOM 0 HD22 LEU A 34 -2.491 -2.768 2.303 1.00 -0.11 H new ATOM 0 HD23 LEU A 34 -3.758 -3.556 3.273 1.00 -0.11 H new ATOM 469 N HIS A 35 -5.235 1.109 5.427 1.00 -0.46 N ATOM 470 CA HIS A 35 -5.033 2.018 6.559 1.00 0.04 C ATOM 471 C HIS A 35 -5.648 1.453 7.824 1.00 0.62 C ATOM 472 O HIS A 35 -5.019 1.508 8.870 1.00 -0.50 O ATOM 473 CB HIS A 35 -5.656 3.413 6.269 1.00 -0.10 C ATOM 474 CG HIS A 35 -5.782 4.246 7.520 1.00 0.06 C ATOM 475 ND1 HIS A 35 -6.753 4.135 8.379 1.00 -0.06 N ATOM 476 CD2 HIS A 35 -4.982 5.213 7.980 1.00 -0.04 C ATOM 477 CE1 HIS A 35 -6.623 4.966 9.368 1.00 0.11 C ATOM 478 NE2 HIS A 35 -5.527 5.611 9.093 1.00 -0.06 N ATOM 0 H HIS A 35 -5.691 1.523 4.614 1.00 -0.46 H new ATOM 0 HA HIS A 35 -3.958 2.127 6.700 1.00 0.04 H new ATOM 0 HB2 HIS A 35 -5.039 3.942 5.542 1.00 -0.10 H new ATOM 0 HB3 HIS A 35 -6.640 3.284 5.818 1.00 -0.10 H new ATOM 0 HD2 HIS A 35 -4.076 5.585 7.525 1.00 -0.04 H new ATOM 0 HE1 HIS A 35 -7.273 5.092 10.221 1.00 0.11 H new ATOM 0 HE2 HIS A 35 -5.138 6.346 9.684 1.00 -0.06 H new ATOM 487 N ASN A 36 -6.891 0.927 7.759 1.00 -0.46 N ATOM 488 CA ASN A 36 -7.541 0.424 8.971 1.00 0.04 C ATOM 489 C ASN A 36 -6.667 -0.617 9.636 1.00 0.62 C ATOM 490 O ASN A 36 -6.443 -0.529 10.834 1.00 -0.50 O ATOM 491 CB ASN A 36 -8.934 -0.199 8.674 1.00 -0.09 C ATOM 492 CG ASN A 36 -9.711 -0.560 9.916 1.00 0.68 C ATOM 493 OD1 ASN A 36 -9.289 -0.245 11.016 1.00 -0.47 O ATOM 494 ND2 ASN A 36 -10.873 -1.226 9.767 1.00 -0.87 N ATOM 0 H ASN A 36 -7.443 0.844 6.905 1.00 -0.46 H new ATOM 0 HA ASN A 36 -7.685 1.277 9.634 1.00 0.04 H new ATOM 0 HB2 ASN A 36 -9.519 0.505 8.081 1.00 -0.09 H new ATOM 0 HB3 ASN A 36 -8.800 -1.094 8.066 1.00 -0.09 H new ATOM 0 HD21 ASN A 36 -11.424 -1.480 10.587 1.00 -0.87 H new ATOM 0 HD22 ASN A 36 -11.201 -1.476 8.834 1.00 -0.87 H new ATOM 501 N GLN A 37 -6.151 -1.603 8.866 1.00 -0.46 N ATOM 502 CA GLN A 37 -5.335 -2.673 9.450 1.00 0.04 C ATOM 503 C GLN A 37 -3.865 -2.306 9.496 1.00 0.62 C ATOM 504 O GLN A 37 -3.022 -3.100 9.110 1.00 -0.50 O ATOM 505 CB GLN A 37 -5.670 -4.046 8.790 1.00 -0.10 C ATOM 506 CG GLN A 37 -5.216 -4.215 7.311 1.00 -0.10 C ATOM 507 CD GLN A 37 -5.669 -5.518 6.700 1.00 0.68 C ATOM 508 OE1 GLN A 37 -6.396 -6.277 7.321 1.00 -0.47 O ATOM 509 NE2 GLN A 37 -5.254 -5.806 5.450 1.00 -0.87 N ATOM 0 H GLN A 37 -6.286 -1.673 7.857 1.00 -0.46 H new ATOM 0 HA GLN A 37 -5.599 -2.794 10.501 1.00 0.04 H new ATOM 0 HB2 GLN A 37 -5.210 -4.835 9.384 1.00 -0.10 H new ATOM 0 HB3 GLN A 37 -6.748 -4.198 8.839 1.00 -0.10 H new ATOM 0 HG2 GLN A 37 -5.608 -3.387 6.720 1.00 -0.10 H new ATOM 0 HG3 GLN A 37 -4.129 -4.156 7.261 1.00 -0.10 H new ATOM 0 HE21 GLN A 37 -4.647 -5.155 4.952 1.00 -0.87 H new ATOM 0 HE22 GLN A 37 -5.547 -6.674 5.003 1.00 -0.87 H new ATOM 518 N ALA A 38 -3.537 -1.091 9.996 1.00 -0.46 N ATOM 519 CA ALA A 38 -2.145 -0.653 10.083 1.00 0.04 C ATOM 520 C ALA A 38 -1.961 0.242 11.289 1.00 0.62 C ATOM 521 O ALA A 38 -1.552 1.381 11.130 1.00 -0.50 O ATOM 522 CB ALA A 38 -1.775 0.043 8.752 1.00 -0.10 C ATOM 0 H ALA A 38 -4.217 -0.412 10.339 1.00 -0.46 H new ATOM 0 HA ALA A 38 -1.471 -1.498 10.223 1.00 0.04 H new ATOM 0 HB1 ALA A 38 -0.739 0.379 8.793 1.00 -0.10 H new ATOM 0 HB2 ALA A 38 -1.896 -0.660 7.928 1.00 -0.10 H new ATOM 0 HB3 ALA A 38 -2.429 0.901 8.596 1.00 -0.10 H new ATOM 528 N ARG A 39 -2.273 -0.260 12.507 1.00 -0.46 N ATOM 529 CA ARG A 39 -2.208 0.578 13.708 1.00 0.04 C ATOM 530 C ARG A 39 -1.456 -0.116 14.826 1.00 0.62 C ATOM 531 O ARG A 39 -1.840 -0.008 15.980 1.00 -0.50 O ATOM 532 CB ARG A 39 -3.650 0.994 14.118 1.00 -0.08 C ATOM 533 CG ARG A 39 -4.409 1.822 13.036 1.00 -0.10 C ATOM 534 CD ARG A 39 -3.884 3.278 12.860 1.00 -0.23 C ATOM 535 NE ARG A 39 -4.114 4.104 14.053 1.00 -0.32 N ATOM 536 CZ ARG A 39 -3.660 5.330 14.202 1.00 0.76 C ATOM 537 NH1 ARG A 39 -2.968 5.950 13.279 1.00 -0.62 N ATOM 538 NH2 ARG A 39 -3.909 5.970 15.319 1.00 -0.62 N ATOM 0 H ARG A 39 -2.566 -1.223 12.674 1.00 -0.46 H new ATOM 0 HA ARG A 39 -1.643 1.485 13.492 1.00 0.04 H new ATOM 0 HB2 ARG A 39 -4.225 0.096 14.342 1.00 -0.08 H new ATOM 0 HB3 ARG A 39 -3.600 1.578 15.037 1.00 -0.08 H new ATOM 0 HG2 ARG A 39 -4.335 1.303 12.080 1.00 -0.10 H new ATOM 0 HG3 ARG A 39 -5.466 1.858 13.298 1.00 -0.10 H new ATOM 0 HD2 ARG A 39 -2.817 3.252 12.639 1.00 -0.23 H new ATOM 0 HD3 ARG A 39 -4.376 3.738 12.003 1.00 -0.23 H new ATOM 0 HE ARG A 39 -4.660 3.701 14.814 1.00 -0.32 H new ATOM 0 HH11 ARG A 39 -2.759 5.482 12.397 1.00 -0.62 H new ATOM 0 HH12 ARG A 39 -2.638 6.901 13.442 1.00 -0.62 H new ATOM 0 HH21 ARG A 39 -4.448 5.517 16.057 1.00 -0.62 H new ATOM 0 HH22 ARG A 39 -3.564 6.921 15.450 1.00 -0.62 H new ATOM 552 N SER A 40 -0.348 -0.813 14.490 1.00 -0.46 N ATOM 553 CA SER A 40 0.507 -1.423 15.511 1.00 0.04 C ATOM 554 C SER A 40 1.859 -1.714 14.897 1.00 0.62 C ATOM 555 O SER A 40 1.917 -1.829 13.681 1.00 -0.50 O ATOM 556 CB SER A 40 -0.157 -2.700 16.088 1.00 0.02 C ATOM 557 OG SER A 40 0.625 -3.299 17.136 1.00 -0.55 O ATOM 0 H SER A 40 -0.035 -0.961 13.531 1.00 -0.46 H new ATOM 0 HA SER A 40 0.642 -0.737 16.347 1.00 0.04 H new ATOM 0 HB2 SER A 40 -1.145 -2.450 16.474 1.00 0.02 H new ATOM 0 HB3 SER A 40 -0.302 -3.425 15.287 1.00 0.02 H new ATOM 0 HG SER A 40 0.167 -4.099 17.470 1.00 -0.55 H new ATOM 563 N GLN A 41 2.967 -1.806 15.667 1.00 -0.46 N ATOM 564 CA GLN A 41 4.265 -2.036 15.028 1.00 0.04 C ATOM 565 C GLN A 41 4.204 -3.276 14.164 1.00 0.62 C ATOM 566 O GLN A 41 4.502 -3.194 12.982 1.00 -0.50 O ATOM 567 CB GLN A 41 5.418 -2.137 16.065 1.00 -0.10 C ATOM 568 CG GLN A 41 6.769 -2.502 15.391 1.00 -0.10 C ATOM 569 CD GLN A 41 7.926 -2.337 16.344 1.00 0.68 C ATOM 570 OE1 GLN A 41 8.728 -1.437 16.155 1.00 -0.47 O ATOM 571 NE2 GLN A 41 8.046 -3.188 17.381 1.00 -0.87 N ATOM 0 H GLN A 41 2.985 -1.728 16.684 1.00 -0.46 H new ATOM 0 HA GLN A 41 4.483 -1.174 14.398 1.00 0.04 H new ATOM 0 HB2 GLN A 41 5.519 -1.187 16.590 1.00 -0.10 H new ATOM 0 HB3 GLN A 41 5.170 -2.890 16.813 1.00 -0.10 H new ATOM 0 HG2 GLN A 41 6.733 -3.532 15.036 1.00 -0.10 H new ATOM 0 HG3 GLN A 41 6.923 -1.869 14.517 1.00 -0.10 H new ATOM 0 HE21 GLN A 41 7.360 -3.931 17.513 1.00 -0.87 H new ATOM 0 HE22 GLN A 41 8.823 -3.090 18.034 1.00 -0.87 H new ATOM 580 N SER A 42 3.811 -4.434 14.741 1.00 -0.46 N ATOM 581 CA SER A 42 3.729 -5.659 13.946 1.00 0.04 C ATOM 582 C SER A 42 2.983 -5.426 12.652 1.00 0.62 C ATOM 583 O SER A 42 3.442 -5.880 11.614 1.00 -0.50 O ATOM 584 CB SER A 42 2.997 -6.795 14.709 1.00 0.02 C ATOM 585 OG SER A 42 2.866 -7.963 13.881 1.00 -0.55 O ATOM 0 H SER A 42 3.555 -4.537 15.723 1.00 -0.46 H new ATOM 0 HA SER A 42 4.759 -5.953 13.743 1.00 0.04 H new ATOM 0 HB2 SER A 42 3.549 -7.046 15.615 1.00 0.02 H new ATOM 0 HB3 SER A 42 2.011 -6.453 15.022 1.00 0.02 H new ATOM 0 HG SER A 42 2.403 -8.668 14.381 1.00 -0.55 H new ATOM 591 N ASP A 43 1.833 -4.714 12.687 1.00 -0.46 N ATOM 592 CA ASP A 43 1.080 -4.520 11.453 1.00 0.04 C ATOM 593 C ASP A 43 1.967 -3.869 10.415 1.00 0.62 C ATOM 594 O ASP A 43 2.079 -4.379 9.313 1.00 -0.50 O ATOM 595 CB ASP A 43 -0.181 -3.628 11.602 1.00 -0.40 C ATOM 596 CG ASP A 43 -1.091 -3.963 12.747 1.00 0.71 C ATOM 597 OD1 ASP A 43 -0.941 -5.066 13.335 1.00 -0.72 O ATOM 598 OD2 ASP A 43 -1.954 -3.098 13.069 1.00 -0.72 O ATOM 0 H ASP A 43 1.430 -4.287 13.521 1.00 -0.46 H new ATOM 0 HA ASP A 43 0.749 -5.516 11.161 1.00 0.04 H new ATOM 0 HB2 ASP A 43 0.141 -2.592 11.711 1.00 -0.40 H new ATOM 0 HB3 ASP A 43 -0.755 -3.688 10.678 1.00 -0.40 H new ATOM 603 N ARG A 44 2.619 -2.728 10.735 1.00 -0.46 N ATOM 604 CA ARG A 44 3.436 -2.071 9.718 1.00 0.04 C ATOM 605 C ARG A 44 4.596 -2.968 9.351 1.00 0.62 C ATOM 606 O ARG A 44 4.977 -2.959 8.190 1.00 -0.50 O ATOM 607 CB ARG A 44 3.961 -0.658 10.100 1.00 -0.08 C ATOM 608 CG ARG A 44 2.941 0.485 9.832 1.00 -0.10 C ATOM 609 CD ARG A 44 1.715 0.477 10.781 1.00 -0.23 C ATOM 610 NE ARG A 44 2.144 0.627 12.175 1.00 -0.32 N ATOM 611 CZ ARG A 44 2.500 1.764 12.733 1.00 0.76 C ATOM 612 NH1 ARG A 44 2.518 2.912 12.099 1.00 -0.62 N ATOM 613 NH2 ARG A 44 2.862 1.760 13.993 1.00 -0.62 N ATOM 0 H ARG A 44 2.593 -2.270 11.646 1.00 -0.46 H new ATOM 0 HA ARG A 44 2.773 -1.907 8.868 1.00 0.04 H new ATOM 0 HB2 ARG A 44 4.228 -0.653 11.157 1.00 -0.08 H new ATOM 0 HB3 ARG A 44 4.874 -0.456 9.540 1.00 -0.08 H new ATOM 0 HG2 ARG A 44 3.453 1.443 9.926 1.00 -0.10 H new ATOM 0 HG3 ARG A 44 2.590 0.410 8.803 1.00 -0.10 H new ATOM 0 HD2 ARG A 44 1.036 1.287 10.514 1.00 -0.23 H new ATOM 0 HD3 ARG A 44 1.162 -0.455 10.663 1.00 -0.23 H new ATOM 0 HE ARG A 44 2.168 -0.212 12.755 1.00 -0.32 H new ATOM 0 HH11 ARG A 44 2.246 2.957 11.117 1.00 -0.62 H new ATOM 0 HH12 ARG A 44 2.804 3.760 12.588 1.00 -0.62 H new ATOM 0 HH21 ARG A 44 2.864 0.887 14.520 1.00 -0.62 H new ATOM 0 HH22 ARG A 44 3.142 2.630 14.446 1.00 -0.62 H new ATOM 627 N GLN A 45 5.181 -3.754 10.283 1.00 -0.46 N ATOM 628 CA GLN A 45 6.250 -4.663 9.871 1.00 0.04 C ATOM 629 C GLN A 45 5.695 -5.591 8.806 1.00 0.62 C ATOM 630 O GLN A 45 6.172 -5.562 7.682 1.00 -0.50 O ATOM 631 CB GLN A 45 6.867 -5.499 11.032 1.00 -0.10 C ATOM 632 CG GLN A 45 7.583 -4.656 12.126 1.00 -0.10 C ATOM 633 CD GLN A 45 8.881 -4.018 11.699 1.00 0.68 C ATOM 634 OE1 GLN A 45 9.286 -4.140 10.553 1.00 -0.47 O ATOM 635 NE2 GLN A 45 9.568 -3.300 12.611 1.00 -0.87 N ATOM 0 H GLN A 45 4.941 -3.774 11.274 1.00 -0.46 H new ATOM 0 HA GLN A 45 7.067 -4.049 9.492 1.00 0.04 H new ATOM 0 HB2 GLN A 45 6.076 -6.084 11.502 1.00 -0.10 H new ATOM 0 HB3 GLN A 45 7.581 -6.208 10.613 1.00 -0.10 H new ATOM 0 HG2 GLN A 45 6.904 -3.872 12.460 1.00 -0.10 H new ATOM 0 HG3 GLN A 45 7.777 -5.297 12.986 1.00 -0.10 H new ATOM 0 HE21 GLN A 45 9.212 -3.211 13.563 1.00 -0.87 H new ATOM 0 HE22 GLN A 45 10.443 -2.846 12.349 1.00 -0.87 H new ATOM 644 N SER A 46 4.674 -6.416 9.124 1.00 -0.46 N ATOM 645 CA SER A 46 4.186 -7.395 8.148 1.00 0.04 C ATOM 646 C SER A 46 3.658 -6.714 6.903 1.00 0.62 C ATOM 647 O SER A 46 3.981 -7.125 5.798 1.00 -0.50 O ATOM 648 CB SER A 46 3.063 -8.280 8.756 1.00 0.02 C ATOM 649 OG SER A 46 3.586 -9.196 9.732 1.00 -0.55 O ATOM 0 H SER A 46 4.189 -6.421 10.021 1.00 -0.46 H new ATOM 0 HA SER A 46 5.034 -8.024 7.878 1.00 0.04 H new ATOM 0 HB2 SER A 46 2.308 -7.645 9.219 1.00 0.02 H new ATOM 0 HB3 SER A 46 2.567 -8.837 7.961 1.00 0.02 H new ATOM 0 HG SER A 46 2.855 -9.737 10.097 1.00 -0.55 H new ATOM 655 N ALA A 47 2.829 -5.663 7.072 1.00 -0.46 N ATOM 656 CA ALA A 47 2.235 -5.000 5.916 1.00 0.04 C ATOM 657 C ALA A 47 3.324 -4.428 5.040 1.00 0.62 C ATOM 658 O ALA A 47 3.353 -4.708 3.851 1.00 -0.50 O ATOM 659 CB ALA A 47 1.268 -3.861 6.338 1.00 -0.10 C ATOM 0 H ALA A 47 2.567 -5.271 7.976 1.00 -0.46 H new ATOM 0 HA ALA A 47 1.661 -5.747 5.367 1.00 0.04 H new ATOM 0 HB1 ALA A 47 0.847 -3.393 5.448 1.00 -0.10 H new ATOM 0 HB2 ALA A 47 0.463 -4.274 6.946 1.00 -0.10 H new ATOM 0 HB3 ALA A 47 1.814 -3.116 6.916 1.00 -0.10 H new ATOM 665 N CYS A 48 4.247 -3.618 5.609 1.00 -0.46 N ATOM 666 CA CYS A 48 5.275 -3.019 4.765 1.00 0.04 C ATOM 667 C CYS A 48 6.205 -4.077 4.212 1.00 0.62 C ATOM 668 O CYS A 48 6.724 -3.909 3.121 1.00 -0.50 O ATOM 669 CB CYS A 48 6.131 -1.937 5.465 1.00 -0.10 C ATOM 670 SG CYS A 48 7.311 -2.696 6.626 1.00 0.82 S ATOM 0 H CYS A 48 4.293 -3.380 6.600 1.00 -0.46 H new ATOM 0 HA CYS A 48 4.720 -2.527 3.967 1.00 0.04 H new ATOM 0 HB2 CYS A 48 6.672 -1.355 4.718 1.00 -0.10 H new ATOM 0 HB3 CYS A 48 5.482 -1.244 6.000 1.00 -0.10 H new ATOM 675 N ASN A 49 6.457 -5.182 4.946 1.00 -0.46 N ATOM 676 CA ASN A 49 7.313 -6.225 4.384 1.00 0.04 C ATOM 677 C ASN A 49 6.668 -6.759 3.122 1.00 0.62 C ATOM 678 O ASN A 49 7.380 -6.986 2.156 1.00 -0.50 O ATOM 679 CB ASN A 49 7.601 -7.335 5.428 1.00 -0.09 C ATOM 680 CG ASN A 49 8.334 -6.784 6.632 1.00 0.68 C ATOM 681 OD1 ASN A 49 8.724 -5.625 6.638 1.00 -0.47 O ATOM 682 ND2 ASN A 49 8.539 -7.598 7.685 1.00 -0.87 N ATOM 0 H ASN A 49 6.096 -5.363 5.883 1.00 -0.46 H new ATOM 0 HA ASN A 49 8.285 -5.808 4.120 1.00 0.04 H new ATOM 0 HB2 ASN A 49 6.663 -7.788 5.748 1.00 -0.09 H new ATOM 0 HB3 ASN A 49 8.196 -8.124 4.968 1.00 -0.09 H new ATOM 0 HD21 ASN A 49 9.029 -7.251 8.510 1.00 -0.87 H new ATOM 0 HD22 ASN A 49 8.205 -8.561 7.658 1.00 -0.87 H new ATOM 689 N CYS A 50 5.325 -6.934 3.078 1.00 -0.46 N ATOM 690 CA CYS A 50 4.690 -7.248 1.794 1.00 0.04 C ATOM 691 C CYS A 50 4.926 -6.096 0.836 1.00 0.62 C ATOM 692 O CYS A 50 5.279 -6.345 -0.305 1.00 -0.50 O ATOM 693 CB CYS A 50 3.175 -7.595 1.911 1.00 -0.10 C ATOM 694 SG CYS A 50 2.990 -9.376 2.274 1.00 0.82 S ATOM 0 H CYS A 50 4.695 -6.866 3.877 1.00 -0.46 H new ATOM 0 HA CYS A 50 5.154 -8.156 1.408 1.00 0.04 H new ATOM 0 HB2 CYS A 50 2.714 -7.001 2.700 1.00 -0.10 H new ATOM 0 HB3 CYS A 50 2.660 -7.346 0.983 1.00 -0.10 H new ATOM 699 N LEU A 51 4.760 -4.824 1.259 1.00 -0.46 N ATOM 700 CA LEU A 51 5.019 -3.712 0.337 1.00 0.04 C ATOM 701 C LEU A 51 6.383 -3.810 -0.305 1.00 0.62 C ATOM 702 O LEU A 51 6.452 -3.899 -1.521 1.00 -0.50 O ATOM 703 CB LEU A 51 4.868 -2.336 1.042 1.00 -0.06 C ATOM 704 CG LEU A 51 4.997 -1.084 0.123 1.00 -0.01 C ATOM 705 CD1 LEU A 51 4.199 0.082 0.774 1.00 -0.11 C ATOM 706 CD2 LEU A 51 6.489 -0.696 -0.129 1.00 -0.11 C ATOM 0 H LEU A 51 4.460 -4.554 2.196 1.00 -0.46 H new ATOM 0 HA LEU A 51 4.267 -3.788 -0.448 1.00 0.04 H new ATOM 0 HB2 LEU A 51 3.895 -2.305 1.532 1.00 -0.06 H new ATOM 0 HB3 LEU A 51 5.622 -2.266 1.826 1.00 -0.06 H new ATOM 0 HG LEU A 51 4.580 -1.309 -0.859 1.00 -0.01 H new ATOM 0 HD11 LEU A 51 4.276 0.970 0.147 1.00 -0.11 H new ATOM 0 HD12 LEU A 51 3.152 -0.204 0.872 1.00 -0.11 H new ATOM 0 HD13 LEU A 51 4.610 0.298 1.760 1.00 -0.11 H new ATOM 0 HD21 LEU A 51 6.533 0.181 -0.774 1.00 -0.11 H new ATOM 0 HD22 LEU A 51 6.972 -0.472 0.822 1.00 -0.11 H new ATOM 0 HD23 LEU A 51 7.005 -1.527 -0.611 1.00 -0.11 H new ATOM 718 N LYS A 52 7.498 -3.781 0.460 1.00 -0.46 N ATOM 719 CA LYS A 52 8.803 -3.817 -0.198 1.00 0.04 C ATOM 720 C LYS A 52 8.980 -5.155 -0.885 1.00 0.62 C ATOM 721 O LYS A 52 9.462 -5.190 -2.007 1.00 -0.50 O ATOM 722 CB LYS A 52 10.000 -3.472 0.733 1.00 -0.10 C ATOM 723 CG LYS A 52 9.962 -1.984 1.193 1.00 -0.16 C ATOM 724 CD LYS A 52 11.276 -1.545 1.901 1.00 -0.18 C ATOM 725 CE LYS A 52 11.248 -0.032 2.261 1.00 -0.04 C ATOM 726 NZ LYS A 52 12.529 0.440 2.841 1.00 -0.14 N ATOM 0 H LYS A 52 7.516 -3.735 1.479 1.00 -0.46 H new ATOM 0 HA LYS A 52 8.811 -3.021 -0.942 1.00 0.04 H new ATOM 0 HB2 LYS A 52 9.981 -4.124 1.607 1.00 -0.10 H new ATOM 0 HB3 LYS A 52 10.936 -3.667 0.210 1.00 -0.10 H new ATOM 0 HG2 LYS A 52 9.788 -1.344 0.328 1.00 -0.16 H new ATOM 0 HG3 LYS A 52 9.121 -1.838 1.871 1.00 -0.16 H new ATOM 0 HD2 LYS A 52 11.417 -2.134 2.807 1.00 -0.18 H new ATOM 0 HD3 LYS A 52 12.127 -1.750 1.252 1.00 -0.18 H new ATOM 0 HE2 LYS A 52 11.024 0.547 1.365 1.00 -0.04 H new ATOM 0 HE3 LYS A 52 10.442 0.154 2.971 1.00 -0.04 H new ATOM 0 HZ1 LYS A 52 12.446 1.445 3.094 1.00 -0.14 H new ATOM 0 HZ2 LYS A 52 12.750 -0.115 3.693 1.00 -0.14 H new ATOM 0 HZ3 LYS A 52 13.291 0.321 2.143 1.00 -0.14 H new ATOM 740 N GLY A 53 8.583 -6.271 -0.237 1.00 -0.46 N ATOM 741 CA GLY A 53 8.725 -7.575 -0.881 1.00 0.04 C ATOM 742 C GLY A 53 8.082 -7.622 -2.250 1.00 0.62 C ATOM 743 O GLY A 53 8.706 -8.133 -3.167 1.00 -0.50 O ATOM 0 H GLY A 53 8.177 -6.289 0.698 1.00 -0.46 H new ATOM 0 HA2 GLY A 53 9.784 -7.817 -0.973 1.00 0.04 H new ATOM 0 HA3 GLY A 53 8.277 -8.340 -0.247 1.00 0.04 H new ATOM 747 N ILE A 54 6.835 -7.112 -2.399 1.00 -0.46 N ATOM 748 CA ILE A 54 6.137 -7.180 -3.684 1.00 0.04 C ATOM 749 C ILE A 54 6.212 -5.833 -4.374 1.00 0.62 C ATOM 750 O ILE A 54 6.761 -5.766 -5.462 1.00 -0.50 O ATOM 751 CB ILE A 54 4.653 -7.656 -3.562 1.00 -0.01 C ATOM 752 CG1 ILE A 54 4.529 -9.122 -3.036 1.00 -0.05 C ATOM 753 CG2 ILE A 54 3.946 -7.567 -4.950 1.00 -0.09 C ATOM 754 CD1 ILE A 54 4.791 -9.292 -1.516 1.00 -0.09 C ATOM 0 H ILE A 54 6.308 -6.658 -1.653 1.00 -0.46 H new ATOM 0 HA ILE A 54 6.644 -7.936 -4.284 1.00 0.04 H new ATOM 0 HB ILE A 54 4.175 -6.995 -2.839 1.00 -0.01 H new ATOM 0 HG12 ILE A 54 3.528 -9.491 -3.261 1.00 -0.05 H new ATOM 0 HG13 ILE A 54 5.231 -9.750 -3.584 1.00 -0.05 H new ATOM 0 HG21 ILE A 54 2.913 -7.901 -4.854 1.00 -0.09 H new ATOM 0 HG22 ILE A 54 3.963 -6.535 -5.301 1.00 -0.09 H new ATOM 0 HG23 ILE A 54 4.468 -8.203 -5.665 1.00 -0.09 H new ATOM 0 HD11 ILE A 54 4.682 -10.342 -1.243 1.00 -0.09 H new ATOM 0 HD12 ILE A 54 5.802 -8.959 -1.282 1.00 -0.09 H new ATOM 0 HD13 ILE A 54 4.073 -8.695 -0.954 1.00 -0.09 H new ATOM 766 N ALA A 55 5.657 -4.741 -3.802 1.00 -0.46 N ATOM 767 CA ALA A 55 5.533 -3.504 -4.575 1.00 0.04 C ATOM 768 C ALA A 55 6.890 -3.035 -5.052 1.00 0.62 C ATOM 769 O ALA A 55 7.105 -2.941 -6.249 1.00 -0.50 O ATOM 770 CB ALA A 55 4.815 -2.362 -3.806 1.00 -0.10 C ATOM 0 H ALA A 55 5.303 -4.697 -2.846 1.00 -0.46 H new ATOM 0 HA ALA A 55 4.905 -3.747 -5.432 1.00 0.04 H new ATOM 0 HB1 ALA A 55 4.759 -1.476 -4.439 1.00 -0.10 H new ATOM 0 HB2 ALA A 55 3.808 -2.681 -3.538 1.00 -0.10 H new ATOM 0 HB3 ALA A 55 5.374 -2.126 -2.900 1.00 -0.10 H new ATOM 776 N ARG A 56 7.840 -2.749 -4.135 1.00 -0.46 N ATOM 777 CA ARG A 56 9.169 -2.337 -4.588 1.00 0.04 C ATOM 778 C ARG A 56 9.760 -3.471 -5.398 1.00 0.62 C ATOM 779 O ARG A 56 10.345 -3.217 -6.439 1.00 -0.50 O ATOM 780 CB ARG A 56 10.109 -1.977 -3.405 1.00 -0.08 C ATOM 781 CG ARG A 56 11.457 -1.378 -3.895 1.00 -0.10 C ATOM 782 CD ARG A 56 12.436 -1.106 -2.718 1.00 -0.23 C ATOM 783 NE ARG A 56 12.938 -2.342 -2.104 1.00 -0.32 N ATOM 784 CZ ARG A 56 13.781 -2.368 -1.094 1.00 0.76 C ATOM 785 NH1 ARG A 56 14.258 -1.280 -0.540 1.00 -0.62 N ATOM 786 NH2 ARG A 56 14.166 -3.526 -0.616 1.00 -0.62 N ATOM 0 H ARG A 56 7.714 -2.795 -3.124 1.00 -0.46 H new ATOM 0 HA ARG A 56 9.070 -1.436 -5.193 1.00 0.04 H new ATOM 0 HB2 ARG A 56 9.611 -1.262 -2.751 1.00 -0.08 H new ATOM 0 HB3 ARG A 56 10.303 -2.870 -2.811 1.00 -0.08 H new ATOM 0 HG2 ARG A 56 11.923 -2.064 -4.603 1.00 -0.10 H new ATOM 0 HG3 ARG A 56 11.267 -0.448 -4.431 1.00 -0.10 H new ATOM 0 HD2 ARG A 56 13.278 -0.516 -3.080 1.00 -0.23 H new ATOM 0 HD3 ARG A 56 11.930 -0.508 -1.960 1.00 -0.23 H new ATOM 0 HE ARG A 56 12.614 -3.232 -2.483 1.00 -0.32 H new ATOM 0 HH11 ARG A 56 13.977 -0.364 -0.890 1.00 -0.62 H new ATOM 0 HH12 ARG A 56 14.910 -1.349 0.242 1.00 -0.62 H new ATOM 0 HH21 ARG A 56 13.813 -4.390 -1.027 1.00 -0.62 H new ATOM 0 HH22 ARG A 56 14.819 -3.563 0.167 1.00 -0.62 H new ATOM 800 N GLY A 57 9.603 -4.735 -4.935 1.00 -0.46 N ATOM 801 CA GLY A 57 10.085 -5.872 -5.720 1.00 0.04 C ATOM 802 C GLY A 57 9.705 -5.753 -7.179 1.00 0.62 C ATOM 803 O GLY A 57 10.529 -6.037 -8.035 1.00 -0.50 O ATOM 0 H GLY A 57 9.159 -4.978 -4.049 1.00 -0.46 H new ATOM 0 HA2 GLY A 57 11.169 -5.940 -5.632 1.00 0.04 H new ATOM 0 HA3 GLY A 57 9.673 -6.795 -5.312 1.00 0.04 H new ATOM 807 N ILE A 58 8.462 -5.319 -7.486 1.00 -0.46 N ATOM 808 CA ILE A 58 8.100 -5.041 -8.876 1.00 0.04 C ATOM 809 C ILE A 58 8.852 -3.771 -9.217 1.00 0.62 C ATOM 810 O ILE A 58 8.278 -2.696 -9.133 1.00 -0.50 O ATOM 811 CB ILE A 58 6.556 -4.901 -9.078 1.00 -0.01 C ATOM 812 CG1 ILE A 58 5.824 -6.223 -8.685 1.00 -0.05 C ATOM 813 CG2 ILE A 58 6.219 -4.510 -10.549 1.00 -0.09 C ATOM 814 CD1 ILE A 58 4.298 -6.037 -8.474 1.00 -0.09 C ATOM 0 H ILE A 58 7.719 -5.160 -6.806 1.00 -0.46 H new ATOM 0 HA ILE A 58 8.371 -5.862 -9.539 1.00 0.04 H new ATOM 0 HB ILE A 58 6.204 -4.104 -8.423 1.00 -0.01 H new ATOM 0 HG12 ILE A 58 5.988 -6.967 -9.464 1.00 -0.05 H new ATOM 0 HG13 ILE A 58 6.266 -6.617 -7.770 1.00 -0.05 H new ATOM 0 HG21 ILE A 58 5.139 -4.419 -10.663 1.00 -0.09 H new ATOM 0 HG22 ILE A 58 6.691 -3.557 -10.789 1.00 -0.09 H new ATOM 0 HG23 ILE A 58 6.591 -5.280 -11.225 1.00 -0.09 H new ATOM 0 HD11 ILE A 58 3.849 -6.993 -8.203 1.00 -0.09 H new ATOM 0 HD12 ILE A 58 4.126 -5.316 -7.675 1.00 -0.09 H new ATOM 0 HD13 ILE A 58 3.845 -5.672 -9.396 1.00 -0.09 H new ATOM 826 N HIS A 59 10.146 -3.850 -9.610 1.00 -0.46 N ATOM 827 CA HIS A 59 10.883 -2.638 -9.988 1.00 0.04 C ATOM 828 C HIS A 59 10.448 -2.206 -11.376 1.00 0.62 C ATOM 829 O HIS A 59 11.254 -2.200 -12.293 1.00 -0.50 O ATOM 830 CB HIS A 59 12.414 -2.890 -9.903 1.00 -0.10 C ATOM 831 CG HIS A 59 13.257 -1.675 -10.209 1.00 0.06 C ATOM 832 ND1 HIS A 59 14.555 -1.692 -10.285 1.00 -0.06 N ATOM 833 CD2 HIS A 59 12.882 -0.414 -10.450 1.00 -0.04 C ATOM 834 CE1 HIS A 59 15.040 -0.519 -10.563 1.00 0.11 C ATOM 835 NE2 HIS A 59 13.988 0.240 -10.657 1.00 -0.06 N ATOM 0 H HIS A 59 10.681 -4.716 -9.670 1.00 -0.46 H new ATOM 0 HA HIS A 59 10.657 -1.828 -9.294 1.00 0.04 H new ATOM 0 HB2 HIS A 59 12.658 -3.245 -8.902 1.00 -0.10 H new ATOM 0 HB3 HIS A 59 12.679 -3.687 -10.597 1.00 -0.10 H new ATOM 0 HD2 HIS A 59 11.876 -0.022 -10.469 1.00 -0.04 H new ATOM 0 HE1 HIS A 59 16.076 -0.239 -10.687 1.00 0.11 H new ATOM 0 HE2 HIS A 59 14.026 1.237 -10.869 1.00 -0.06 H new ATOM 844 N ASN A 60 9.156 -1.840 -11.529 1.00 -0.46 N ATOM 845 CA ASN A 60 8.581 -1.516 -12.840 1.00 0.04 C ATOM 846 C ASN A 60 7.179 -1.010 -12.559 1.00 0.62 C ATOM 847 O ASN A 60 6.210 -1.669 -12.901 1.00 -0.50 O ATOM 848 CB ASN A 60 8.573 -2.778 -13.748 1.00 -0.09 C ATOM 849 CG ASN A 60 8.079 -2.459 -15.140 1.00 0.68 C ATOM 850 OD1 ASN A 60 8.888 -2.333 -16.045 1.00 -0.47 O ATOM 851 ND2 ASN A 60 6.757 -2.315 -15.360 1.00 -0.87 N ATOM 0 H ASN A 60 8.496 -1.763 -10.755 1.00 -0.46 H new ATOM 0 HA ASN A 60 9.161 -0.762 -13.373 1.00 0.04 H new ATOM 0 HB2 ASN A 60 9.580 -3.192 -13.805 1.00 -0.09 H new ATOM 0 HB3 ASN A 60 7.938 -3.543 -13.302 1.00 -0.09 H new ATOM 0 HD21 ASN A 60 6.417 -2.097 -16.296 1.00 -0.87 H new ATOM 0 HD22 ASN A 60 6.097 -2.424 -14.590 1.00 -0.87 H new ATOM 858 N LEU A 61 7.076 0.143 -11.859 1.00 -0.46 N ATOM 859 CA LEU A 61 5.817 0.494 -11.203 1.00 0.04 C ATOM 860 C LEU A 61 5.683 1.998 -11.097 1.00 0.62 C ATOM 861 O LEU A 61 6.671 2.638 -10.772 1.00 -0.50 O ATOM 862 CB LEU A 61 5.885 -0.245 -9.834 1.00 -0.06 C ATOM 863 CG LEU A 61 4.675 -0.028 -8.880 1.00 -0.01 C ATOM 864 CD1 LEU A 61 4.558 -1.220 -7.887 1.00 -0.11 C ATOM 865 CD2 LEU A 61 4.786 1.293 -8.069 1.00 -0.11 C ATOM 0 H LEU A 61 7.829 0.821 -11.741 1.00 -0.46 H new ATOM 0 HA LEU A 61 4.925 0.189 -11.750 1.00 0.04 H new ATOM 0 HB2 LEU A 61 5.984 -1.314 -10.025 1.00 -0.06 H new ATOM 0 HB3 LEU A 61 6.791 0.072 -9.317 1.00 -0.06 H new ATOM 0 HG LEU A 61 3.786 0.036 -9.508 1.00 -0.01 H new ATOM 0 HD11 LEU A 61 3.708 -1.059 -7.224 1.00 -0.11 H new ATOM 0 HD12 LEU A 61 4.413 -2.145 -8.445 1.00 -0.11 H new ATOM 0 HD13 LEU A 61 5.471 -1.292 -7.296 1.00 -0.11 H new ATOM 0 HD21 LEU A 61 3.917 1.395 -7.420 1.00 -0.11 H new ATOM 0 HD22 LEU A 61 5.692 1.273 -7.463 1.00 -0.11 H new ATOM 0 HD23 LEU A 61 4.828 2.139 -8.755 1.00 -0.11 H new ATOM 877 N ASN A 62 4.495 2.588 -11.369 1.00 -0.46 N ATOM 878 CA ASN A 62 4.372 4.045 -11.331 1.00 0.04 C ATOM 879 C ASN A 62 4.209 4.501 -9.897 1.00 0.62 C ATOM 880 O ASN A 62 3.089 4.711 -9.458 1.00 -0.50 O ATOM 881 CB ASN A 62 3.192 4.517 -12.225 1.00 -0.09 C ATOM 882 CG ASN A 62 3.084 6.021 -12.255 1.00 0.68 C ATOM 883 OD1 ASN A 62 3.830 6.689 -11.558 1.00 -0.47 O ATOM 884 ND2 ASN A 62 2.162 6.592 -13.053 1.00 -0.87 N ATOM 0 H ASN A 62 3.639 2.087 -11.609 1.00 -0.46 H new ATOM 0 HA ASN A 62 5.279 4.498 -11.732 1.00 0.04 H new ATOM 0 HB2 ASN A 62 3.330 4.141 -13.239 1.00 -0.09 H new ATOM 0 HB3 ASN A 62 2.260 4.092 -11.852 1.00 -0.09 H new ATOM 0 HD21 ASN A 62 2.074 7.608 -13.085 1.00 -0.87 H new ATOM 0 HD22 ASN A 62 1.551 6.009 -13.625 1.00 -0.87 H new ATOM 891 N GLU A 63 5.312 4.661 -9.133 1.00 -0.46 N ATOM 892 CA GLU A 63 5.173 5.069 -7.734 1.00 0.04 C ATOM 893 C GLU A 63 4.339 6.327 -7.586 1.00 0.62 C ATOM 894 O GLU A 63 3.669 6.468 -6.574 1.00 -0.50 O ATOM 895 CB GLU A 63 6.544 5.188 -7.012 1.00 -0.18 C ATOM 896 CG GLU A 63 7.378 6.410 -7.485 1.00 -0.40 C ATOM 897 CD GLU A 63 6.784 7.717 -7.031 1.00 0.71 C ATOM 898 OE1 GLU A 63 6.328 7.789 -5.860 1.00 -0.72 O ATOM 899 OE2 GLU A 63 6.753 8.694 -7.828 1.00 -0.72 O ATOM 0 H GLU A 63 6.270 4.518 -9.453 1.00 -0.46 H new ATOM 0 HA GLU A 63 4.628 4.269 -7.232 1.00 0.04 H new ATOM 0 HB2 GLU A 63 6.377 5.264 -5.938 1.00 -0.18 H new ATOM 0 HB3 GLU A 63 7.117 4.277 -7.182 1.00 -0.18 H new ATOM 0 HG2 GLU A 63 8.395 6.323 -7.102 1.00 -0.40 H new ATOM 0 HG3 GLU A 63 7.445 6.402 -8.573 1.00 -0.40 H new ATOM 906 N ASP A 64 4.318 7.261 -8.566 1.00 -0.46 N ATOM 907 CA ASP A 64 3.412 8.402 -8.431 1.00 0.04 C ATOM 908 C ASP A 64 2.008 7.883 -8.204 1.00 0.62 C ATOM 909 O ASP A 64 1.336 8.380 -7.316 1.00 -0.50 O ATOM 910 CB ASP A 64 3.431 9.358 -9.650 1.00 -0.40 C ATOM 911 CG ASP A 64 2.522 10.527 -9.373 1.00 0.71 C ATOM 912 OD1 ASP A 64 1.299 10.410 -9.662 1.00 -0.72 O ATOM 913 OD2 ASP A 64 3.020 11.562 -8.856 1.00 -0.72 O ATOM 0 H ASP A 64 4.888 7.245 -9.411 1.00 -0.46 H new ATOM 0 HA ASP A 64 3.757 8.991 -7.581 1.00 0.04 H new ATOM 0 HB2 ASP A 64 4.446 9.707 -9.838 1.00 -0.40 H new ATOM 0 HB3 ASP A 64 3.104 8.831 -10.546 1.00 -0.40 H new ATOM 918 N ASN A 65 1.546 6.866 -8.967 1.00 -0.46 N ATOM 919 CA ASN A 65 0.233 6.285 -8.685 1.00 0.04 C ATOM 920 C ASN A 65 0.187 5.791 -7.255 1.00 0.62 C ATOM 921 O ASN A 65 -0.779 6.079 -6.565 1.00 -0.50 O ATOM 922 CB ASN A 65 -0.122 5.113 -9.636 1.00 -0.09 C ATOM 923 CG ASN A 65 -0.268 5.543 -11.073 1.00 0.68 C ATOM 924 OD1 ASN A 65 -0.250 6.727 -11.366 1.00 -0.47 O ATOM 925 ND2 ASN A 65 -0.438 4.588 -12.007 1.00 -0.87 N ATOM 0 H ASN A 65 2.048 6.450 -9.752 1.00 -0.46 H new ATOM 0 HA ASN A 65 -0.502 7.074 -8.845 1.00 0.04 H new ATOM 0 HB2 ASN A 65 0.653 4.350 -9.568 1.00 -0.09 H new ATOM 0 HB3 ASN A 65 -1.053 4.652 -9.304 1.00 -0.09 H new ATOM 0 HD21 ASN A 65 -0.556 4.848 -12.986 1.00 -0.87 H new ATOM 0 HD22 ASN A 65 -0.449 3.605 -11.735 1.00 -0.87 H new ATOM 932 N ALA A 66 1.216 5.056 -6.776 1.00 -0.46 N ATOM 933 CA ALA A 66 1.202 4.618 -5.380 1.00 0.04 C ATOM 934 C ALA A 66 0.958 5.780 -4.439 1.00 0.62 C ATOM 935 O ALA A 66 0.176 5.633 -3.513 1.00 -0.50 O ATOM 936 CB ALA A 66 2.526 3.931 -4.957 1.00 -0.10 C ATOM 0 H ALA A 66 2.031 4.768 -7.317 1.00 -0.46 H new ATOM 0 HA ALA A 66 0.388 3.896 -5.310 1.00 0.04 H new ATOM 0 HB1 ALA A 66 2.460 3.626 -3.913 1.00 -0.10 H new ATOM 0 HB2 ALA A 66 2.696 3.054 -5.581 1.00 -0.10 H new ATOM 0 HB3 ALA A 66 3.354 4.629 -5.080 1.00 -0.10 H new ATOM 942 N ARG A 67 1.620 6.939 -4.658 1.00 -0.46 N ATOM 943 CA ARG A 67 1.378 8.107 -3.804 1.00 0.04 C ATOM 944 C ARG A 67 0.094 8.836 -4.153 1.00 0.62 C ATOM 945 O ARG A 67 -0.477 9.436 -3.257 1.00 -0.50 O ATOM 946 CB ARG A 67 2.541 9.134 -3.911 1.00 -0.08 C ATOM 947 CG ARG A 67 3.857 8.598 -3.280 1.00 -0.10 C ATOM 948 CD ARG A 67 5.002 9.650 -3.358 1.00 -0.23 C ATOM 949 NE ARG A 67 5.472 9.860 -4.731 1.00 -0.32 N ATOM 950 CZ ARG A 67 6.338 10.783 -5.088 1.00 0.76 C ATOM 951 NH1 ARG A 67 6.890 11.604 -4.227 1.00 -0.62 N ATOM 952 NH2 ARG A 67 6.675 10.898 -6.349 1.00 -0.62 N ATOM 0 H ARG A 67 2.306 7.082 -5.399 1.00 -0.46 H new ATOM 0 HA ARG A 67 1.302 7.711 -2.791 1.00 0.04 H new ATOM 0 HB2 ARG A 67 2.715 9.376 -4.960 1.00 -0.08 H new ATOM 0 HB3 ARG A 67 2.253 10.060 -3.414 1.00 -0.08 H new ATOM 0 HG2 ARG A 67 3.679 8.330 -2.238 1.00 -0.10 H new ATOM 0 HG3 ARG A 67 4.163 7.688 -3.795 1.00 -0.10 H new ATOM 0 HD2 ARG A 67 4.651 10.597 -2.948 1.00 -0.23 H new ATOM 0 HD3 ARG A 67 5.836 9.323 -2.737 1.00 -0.23 H new ATOM 0 HE ARG A 67 5.102 9.249 -5.459 1.00 -0.32 H new ATOM 0 HH11 ARG A 67 6.652 11.541 -3.237 1.00 -0.62 H new ATOM 0 HH12 ARG A 67 7.557 12.306 -4.547 1.00 -0.62 H new ATOM 0 HH21 ARG A 67 6.266 10.274 -7.045 1.00 -0.62 H new ATOM 0 HH22 ARG A 67 7.346 11.611 -6.635 1.00 -0.62 H new ATOM 966 N SER A 68 -0.369 8.838 -5.424 1.00 -0.46 N ATOM 967 CA SER A 68 -1.538 9.635 -5.806 1.00 0.04 C ATOM 968 C SER A 68 -2.838 8.913 -5.537 1.00 0.62 C ATOM 969 O SER A 68 -3.765 9.540 -5.054 1.00 -0.50 O ATOM 970 CB SER A 68 -1.503 10.011 -7.313 1.00 0.02 C ATOM 971 OG SER A 68 -2.631 10.834 -7.670 1.00 -0.55 O ATOM 0 H SER A 68 0.047 8.303 -6.186 1.00 -0.46 H new ATOM 0 HA SER A 68 -1.492 10.535 -5.193 1.00 0.04 H new ATOM 0 HB2 SER A 68 -0.577 10.541 -7.537 1.00 0.02 H new ATOM 0 HB3 SER A 68 -1.505 9.104 -7.917 1.00 0.02 H new ATOM 0 HG SER A 68 -3.276 10.844 -6.932 1.00 -0.55 H new ATOM 977 N ILE A 69 -2.950 7.600 -5.836 1.00 -0.46 N ATOM 978 CA ILE A 69 -4.211 6.894 -5.592 1.00 0.04 C ATOM 979 C ILE A 69 -4.771 7.223 -4.213 1.00 0.62 C ATOM 980 O ILE A 69 -5.907 7.675 -4.173 1.00 -0.50 O ATOM 981 CB ILE A 69 -4.129 5.361 -5.878 1.00 -0.01 C ATOM 982 CG1 ILE A 69 -3.928 5.060 -7.399 1.00 -0.05 C ATOM 983 CG2 ILE A 69 -5.405 4.647 -5.346 1.00 -0.09 C ATOM 984 CD1 ILE A 69 -3.361 3.636 -7.646 1.00 -0.09 C ATOM 0 H ILE A 69 -2.204 7.029 -6.234 1.00 -0.46 H new ATOM 0 HA ILE A 69 -4.929 7.268 -6.322 1.00 0.04 H new ATOM 0 HB ILE A 69 -3.256 4.974 -5.353 1.00 -0.01 H new ATOM 0 HG12 ILE A 69 -4.881 5.164 -7.917 1.00 -0.05 H new ATOM 0 HG13 ILE A 69 -3.250 5.798 -7.827 1.00 -0.05 H new ATOM 0 HG21 ILE A 69 -5.336 3.579 -5.551 1.00 -0.09 H new ATOM 0 HG22 ILE A 69 -5.489 4.805 -4.271 1.00 -0.09 H new ATOM 0 HG23 ILE A 69 -6.285 5.056 -5.843 1.00 -0.09 H new ATOM 0 HD11 ILE A 69 -3.239 3.474 -8.717 1.00 -0.09 H new ATOM 0 HD12 ILE A 69 -2.395 3.538 -7.152 1.00 -0.09 H new ATOM 0 HD13 ILE A 69 -4.051 2.895 -7.243 1.00 -0.09 H new ATOM 996 N PRO A 70 -4.078 7.038 -3.056 1.00 -0.23 N ATOM 997 CA PRO A 70 -4.703 7.362 -1.781 1.00 0.04 C ATOM 998 C PRO A 70 -5.329 8.750 -1.683 1.00 0.53 C ATOM 999 O PRO A 70 -6.539 8.795 -1.507 1.00 -0.50 O ATOM 1000 CB PRO A 70 -3.577 6.999 -0.769 1.00 -0.12 C ATOM 1001 CG PRO A 70 -2.281 6.751 -1.586 1.00 -0.12 C ATOM 1002 CD PRO A 70 -2.773 6.396 -3.009 1.00 -0.01 C ATOM 0 HA PRO A 70 -5.617 6.803 -1.582 1.00 0.04 H new ATOM 0 HB2 PRO A 70 -3.430 7.807 -0.052 1.00 -0.12 H new ATOM 0 HB3 PRO A 70 -3.846 6.111 -0.197 1.00 -0.12 H new ATOM 0 HG2 PRO A 70 -1.645 7.636 -1.597 1.00 -0.12 H new ATOM 0 HG3 PRO A 70 -1.692 5.940 -1.157 1.00 -0.12 H new ATOM 0 HD2 PRO A 70 -2.103 6.780 -3.778 1.00 -0.01 H new ATOM 0 HD3 PRO A 70 -2.844 5.319 -3.157 1.00 -0.01 H new ATOM 1010 N PRO A 71 -4.639 9.917 -1.786 1.00 -0.23 N ATOM 1011 CA PRO A 71 -5.339 11.193 -1.697 1.00 0.04 C ATOM 1012 C PRO A 71 -6.221 11.437 -2.903 1.00 0.53 C ATOM 1013 O PRO A 71 -7.168 12.196 -2.771 1.00 -0.50 O ATOM 1014 CB PRO A 71 -4.138 12.169 -1.644 1.00 -0.12 C ATOM 1015 CG PRO A 71 -3.036 11.443 -2.446 1.00 -0.12 C ATOM 1016 CD PRO A 71 -3.206 9.969 -2.008 1.00 -0.01 C ATOM 0 HA PRO A 71 -6.027 11.278 -0.856 1.00 0.04 H new ATOM 0 HB2 PRO A 71 -4.386 13.133 -2.088 1.00 -0.12 H new ATOM 0 HB3 PRO A 71 -3.825 12.362 -0.618 1.00 -0.12 H new ATOM 0 HG2 PRO A 71 -3.172 11.564 -3.521 1.00 -0.12 H new ATOM 0 HG3 PRO A 71 -2.044 11.824 -2.206 1.00 -0.12 H new ATOM 0 HD2 PRO A 71 -2.881 9.269 -2.778 1.00 -0.01 H new ATOM 0 HD3 PRO A 71 -2.639 9.737 -1.106 1.00 -0.01 H new ATOM 1024 N LYS A 72 -5.974 10.812 -4.078 1.00 -0.46 N ATOM 1025 CA LYS A 72 -6.882 11.003 -5.213 1.00 0.04 C ATOM 1026 C LYS A 72 -8.260 10.535 -4.793 1.00 0.62 C ATOM 1027 O LYS A 72 -9.226 11.250 -5.008 1.00 -0.50 O ATOM 1028 CB LYS A 72 -6.381 10.227 -6.463 1.00 -0.10 C ATOM 1029 CG LYS A 72 -7.159 10.536 -7.769 1.00 -0.16 C ATOM 1030 CD LYS A 72 -6.768 9.567 -8.928 1.00 -0.18 C ATOM 1031 CE LYS A 72 -5.241 9.428 -9.210 1.00 -0.04 C ATOM 1032 NZ LYS A 72 -4.581 10.707 -9.563 1.00 -0.14 N ATOM 0 H LYS A 72 -5.181 10.195 -4.254 1.00 -0.46 H new ATOM 0 HA LYS A 72 -6.918 12.056 -5.491 1.00 0.04 H new ATOM 0 HB2 LYS A 72 -5.327 10.458 -6.620 1.00 -0.10 H new ATOM 0 HB3 LYS A 72 -6.446 9.158 -6.261 1.00 -0.10 H new ATOM 0 HG2 LYS A 72 -8.230 10.460 -7.579 1.00 -0.16 H new ATOM 0 HG3 LYS A 72 -6.961 11.564 -8.074 1.00 -0.16 H new ATOM 0 HD2 LYS A 72 -7.168 8.579 -8.701 1.00 -0.18 H new ATOM 0 HD3 LYS A 72 -7.257 9.906 -9.841 1.00 -0.18 H new ATOM 0 HE2 LYS A 72 -4.755 9.010 -8.329 1.00 -0.04 H new ATOM 0 HE3 LYS A 72 -5.094 8.717 -10.023 1.00 -0.04 H new ATOM 0 HZ1 LYS A 72 -4.091 10.605 -10.474 1.00 -0.14 H new ATOM 0 HZ2 LYS A 72 -5.297 11.458 -9.637 1.00 -0.14 H new ATOM 0 HZ3 LYS A 72 -3.892 10.957 -8.825 1.00 -0.14 H new ATOM 1046 N CYS A 73 -8.373 9.340 -4.167 1.00 -0.46 N ATOM 1047 CA CYS A 73 -9.661 8.941 -3.597 1.00 0.04 C ATOM 1048 C CYS A 73 -10.001 9.797 -2.393 1.00 0.62 C ATOM 1049 O CYS A 73 -11.170 10.088 -2.199 1.00 -0.50 O ATOM 1050 CB CYS A 73 -9.648 7.467 -3.119 1.00 -0.10 C ATOM 1051 SG CYS A 73 -11.318 7.045 -2.511 1.00 0.82 S ATOM 0 H CYS A 73 -7.616 8.666 -4.051 1.00 -0.46 H new ATOM 0 HA CYS A 73 -10.399 9.068 -4.389 1.00 0.04 H new ATOM 0 HB2 CYS A 73 -9.364 6.805 -3.937 1.00 -0.10 H new ATOM 0 HB3 CYS A 73 -8.911 7.331 -2.328 1.00 -0.10 H new ATOM 1056 N GLY A 74 -8.991 10.170 -1.573 1.00 -0.46 N ATOM 1057 CA GLY A 74 -9.223 10.971 -0.367 1.00 0.04 C ATOM 1058 C GLY A 74 -9.019 10.186 0.914 1.00 0.62 C ATOM 1059 O GLY A 74 -9.816 10.336 1.826 1.00 -0.50 O ATOM 0 H GLY A 74 -8.013 9.926 -1.731 1.00 -0.46 H new ATOM 0 HA2 GLY A 74 -8.550 11.829 -0.372 1.00 0.04 H new ATOM 0 HA3 GLY A 74 -10.240 11.363 -0.388 1.00 0.04 H new ATOM 1063 N VAL A 75 -7.952 9.360 1.018 1.00 -0.46 N ATOM 1064 CA VAL A 75 -7.677 8.607 2.246 1.00 0.04 C ATOM 1065 C VAL A 75 -6.284 8.016 2.134 1.00 0.62 C ATOM 1066 O VAL A 75 -5.900 7.724 1.013 1.00 -0.50 O ATOM 1067 CB VAL A 75 -8.759 7.514 2.503 1.00 -0.01 C ATOM 1068 CG1 VAL A 75 -9.031 6.672 1.226 1.00 -0.09 C ATOM 1069 CG2 VAL A 75 -8.384 6.604 3.705 1.00 -0.09 C ATOM 0 H VAL A 75 -7.278 9.204 0.269 1.00 -0.46 H new ATOM 0 HA VAL A 75 -7.719 9.273 3.108 1.00 0.04 H new ATOM 0 HB VAL A 75 -9.682 8.032 2.762 1.00 -0.01 H new ATOM 0 HG11 VAL A 75 -9.790 5.920 1.441 1.00 -0.09 H new ATOM 0 HG12 VAL A 75 -9.383 7.325 0.428 1.00 -0.09 H new ATOM 0 HG13 VAL A 75 -8.111 6.179 0.912 1.00 -0.09 H new ATOM 0 HG21 VAL A 75 -9.163 5.856 3.852 1.00 -0.09 H new ATOM 0 HG22 VAL A 75 -7.436 6.106 3.502 1.00 -0.09 H new ATOM 0 HG23 VAL A 75 -8.290 7.211 4.605 1.00 -0.09 H new ATOM 1079 N ASN A 76 -5.498 7.849 3.224 1.00 -0.46 N ATOM 1080 CA ASN A 76 -4.108 7.411 3.068 1.00 0.04 C ATOM 1081 C ASN A 76 -3.635 6.593 4.250 1.00 0.62 C ATOM 1082 O ASN A 76 -4.416 6.399 5.168 1.00 -0.50 O ATOM 1083 CB ASN A 76 -3.249 8.688 2.853 1.00 -0.09 C ATOM 1084 CG ASN A 76 -3.200 9.558 4.085 1.00 0.68 C ATOM 1085 OD1 ASN A 76 -3.928 9.313 5.033 1.00 -0.47 O ATOM 1086 ND2 ASN A 76 -2.346 10.601 4.100 1.00 -0.87 N ATOM 0 H ASN A 76 -5.797 8.007 4.186 1.00 -0.46 H new ATOM 0 HA ASN A 76 -4.013 6.746 2.209 1.00 0.04 H new ATOM 0 HB2 ASN A 76 -2.236 8.399 2.574 1.00 -0.09 H new ATOM 0 HB3 ASN A 76 -3.657 9.262 2.021 1.00 -0.09 H new ATOM 0 HD21 ASN A 76 -2.297 11.208 4.918 1.00 -0.87 H new ATOM 0 HD22 ASN A 76 -1.749 10.783 3.293 1.00 -0.87 H new ATOM 1093 N LEU A 77 -2.374 6.100 4.242 1.00 -0.46 N ATOM 1094 CA LEU A 77 -1.886 5.285 5.356 1.00 0.04 C ATOM 1095 C LEU A 77 -1.413 6.187 6.477 1.00 0.62 C ATOM 1096 O LEU A 77 -1.232 7.360 6.188 1.00 -0.50 O ATOM 1097 CB LEU A 77 -0.712 4.375 4.901 1.00 -0.06 C ATOM 1098 CG LEU A 77 -1.027 3.507 3.648 1.00 -0.01 C ATOM 1099 CD1 LEU A 77 0.192 2.589 3.361 1.00 -0.11 C ATOM 1100 CD2 LEU A 77 -2.338 2.684 3.807 1.00 -0.11 C ATOM 0 H LEU A 77 -1.699 6.252 3.493 1.00 -0.46 H new ATOM 0 HA LEU A 77 -2.704 4.655 5.705 1.00 0.04 H new ATOM 0 HB2 LEU A 77 0.156 4.999 4.688 1.00 -0.06 H new ATOM 0 HB3 LEU A 77 -0.436 3.717 5.725 1.00 -0.06 H new ATOM 0 HG LEU A 77 -1.197 4.168 2.799 1.00 -0.01 H new ATOM 0 HD11 LEU A 77 -0.014 1.974 2.485 1.00 -0.11 H new ATOM 0 HD12 LEU A 77 1.074 3.202 3.175 1.00 -0.11 H new ATOM 0 HD13 LEU A 77 0.373 1.945 4.222 1.00 -0.11 H new ATOM 0 HD21 LEU A 77 -2.511 2.097 2.905 1.00 -0.11 H new ATOM 0 HD22 LEU A 77 -2.246 2.016 4.663 1.00 -0.11 H new ATOM 0 HD23 LEU A 77 -3.177 3.362 3.964 1.00 -0.11 H new ATOM 1112 N PRO A 78 -1.168 5.750 7.743 1.00 -0.23 N ATOM 1113 CA PRO A 78 -0.618 6.684 8.720 1.00 0.04 C ATOM 1114 C PRO A 78 0.711 7.275 8.296 1.00 0.53 C ATOM 1115 O PRO A 78 1.068 8.318 8.819 1.00 -0.50 O ATOM 1116 CB PRO A 78 -0.463 5.753 9.949 1.00 -0.12 C ATOM 1117 CG PRO A 78 -1.515 4.648 9.704 1.00 -0.12 C ATOM 1118 CD PRO A 78 -1.381 4.375 8.190 1.00 -0.01 C ATOM 0 HA PRO A 78 -1.239 7.565 8.882 1.00 0.04 H new ATOM 0 HB2 PRO A 78 0.544 5.340 10.015 1.00 -0.12 H new ATOM 0 HB3 PRO A 78 -0.651 6.285 10.881 1.00 -0.12 H new ATOM 0 HG2 PRO A 78 -1.309 3.756 10.295 1.00 -0.12 H new ATOM 0 HG3 PRO A 78 -2.519 4.980 9.967 1.00 -0.12 H new ATOM 0 HD2 PRO A 78 -0.545 3.717 7.950 1.00 -0.01 H new ATOM 0 HD3 PRO A 78 -2.275 3.924 7.760 1.00 -0.01 H new ATOM 1126 N TYR A 79 1.447 6.625 7.359 1.00 -0.46 N ATOM 1127 CA TYR A 79 2.744 7.129 6.900 1.00 0.04 C ATOM 1128 C TYR A 79 2.709 7.297 5.394 1.00 0.62 C ATOM 1129 O TYR A 79 3.627 6.866 4.716 1.00 -0.50 O ATOM 1130 CB TYR A 79 3.866 6.165 7.383 1.00 -0.10 C ATOM 1131 CG TYR A 79 3.629 4.731 6.880 1.00 -0.03 C ATOM 1132 CD1 TYR A 79 2.740 3.887 7.558 1.00 0.00 C ATOM 1133 CD2 TYR A 79 4.285 4.245 5.742 1.00 0.00 C ATOM 1134 CE1 TYR A 79 2.393 2.642 7.027 1.00 -0.26 C ATOM 1135 CE2 TYR A 79 3.984 2.973 5.248 1.00 -0.26 C ATOM 1136 CZ TYR A 79 3.079 2.147 5.913 1.00 0.46 C ATOM 1137 OH TYR A 79 2.881 0.845 5.455 1.00 -0.53 O ATOM 0 H TYR A 79 1.156 5.754 6.914 1.00 -0.46 H new ATOM 0 HA TYR A 79 2.959 8.109 7.325 1.00 0.04 H new ATOM 0 HB2 TYR A 79 4.832 6.522 7.027 1.00 -0.10 H new ATOM 0 HB3 TYR A 79 3.906 6.168 8.472 1.00 -0.10 H new ATOM 0 HD1 TYR A 79 2.318 4.202 8.501 1.00 0.00 H new ATOM 0 HD2 TYR A 79 5.025 4.855 5.245 1.00 0.00 H new ATOM 0 HE1 TYR A 79 1.598 2.064 7.475 1.00 -0.26 H new ATOM 0 HE2 TYR A 79 4.457 2.626 4.341 1.00 -0.26 H new ATOM 0 HH TYR A 79 2.351 0.345 6.110 1.00 -0.53 H new ATOM 1147 N THR A 80 1.641 7.929 4.855 1.00 -0.46 N ATOM 1148 CA THR A 80 1.537 8.142 3.407 1.00 0.04 C ATOM 1149 C THR A 80 1.752 6.853 2.639 1.00 0.62 C ATOM 1150 O THR A 80 0.776 6.142 2.459 1.00 -0.50 O ATOM 1151 CB THR A 80 2.441 9.302 2.903 1.00 0.17 C ATOM 1152 OG1 THR A 80 3.822 8.919 3.017 1.00 -0.55 O ATOM 1153 CG2 THR A 80 2.181 10.593 3.722 1.00 -0.19 C ATOM 0 H THR A 80 0.856 8.292 5.396 1.00 -0.46 H new ATOM 0 HA THR A 80 0.515 8.463 3.206 1.00 0.04 H new ATOM 0 HB THR A 80 2.204 9.504 1.858 1.00 0.17 H new ATOM 0 HG1 THR A 80 3.925 8.280 3.753 1.00 -0.55 H new ATOM 0 HG21 THR A 80 2.823 11.393 3.354 1.00 -0.19 H new ATOM 0 HG22 THR A 80 1.137 10.888 3.615 1.00 -0.19 H new ATOM 0 HG23 THR A 80 2.400 10.407 4.774 1.00 -0.19 H new ATOM 1161 N ILE A 81 2.983 6.513 2.177 1.00 -0.46 N ATOM 1162 CA ILE A 81 3.184 5.243 1.468 1.00 0.04 C ATOM 1163 C ILE A 81 4.668 4.919 1.332 1.00 0.62 C ATOM 1164 O ILE A 81 5.423 5.822 1.011 1.00 -0.50 O ATOM 1165 CB ILE A 81 2.372 5.231 0.125 1.00 -0.01 C ATOM 1166 CG1 ILE A 81 1.322 4.077 0.026 1.00 -0.05 C ATOM 1167 CG2 ILE A 81 3.266 5.329 -1.143 1.00 -0.09 C ATOM 1168 CD1 ILE A 81 1.893 2.643 0.184 1.00 -0.09 C ATOM 0 H ILE A 81 3.820 7.086 2.282 1.00 -0.46 H new ATOM 0 HA ILE A 81 2.778 4.421 2.057 1.00 0.04 H new ATOM 0 HB ILE A 81 1.791 6.153 0.157 1.00 -0.01 H new ATOM 0 HG12 ILE A 81 0.562 4.234 0.791 1.00 -0.05 H new ATOM 0 HG13 ILE A 81 0.821 4.146 -0.940 1.00 -0.05 H new ATOM 0 HG21 ILE A 81 2.637 5.315 -2.033 1.00 -0.09 H new ATOM 0 HG22 ILE A 81 3.836 6.258 -1.116 1.00 -0.09 H new ATOM 0 HG23 ILE A 81 3.953 4.483 -1.170 1.00 -0.09 H new ATOM 0 HD11 ILE A 81 1.084 1.918 0.099 1.00 -0.09 H new ATOM 0 HD12 ILE A 81 2.630 2.457 -0.597 1.00 -0.09 H new ATOM 0 HD13 ILE A 81 2.367 2.546 1.161 1.00 -0.09 H new ATOM 1180 N SER A 82 5.141 3.672 1.588 1.00 -0.46 N ATOM 1181 CA SER A 82 6.585 3.401 1.608 1.00 0.04 C ATOM 1182 C SER A 82 7.245 3.257 0.254 1.00 0.62 C ATOM 1183 O SER A 82 8.464 3.332 0.261 1.00 -0.50 O ATOM 1184 CB SER A 82 6.931 2.120 2.419 1.00 0.02 C ATOM 1185 OG SER A 82 8.339 1.849 2.498 1.00 -0.55 O ATOM 0 H SER A 82 4.552 2.861 1.778 1.00 -0.46 H new ATOM 0 HA SER A 82 6.981 4.299 2.081 1.00 0.04 H new ATOM 0 HB2 SER A 82 6.532 2.221 3.428 1.00 0.02 H new ATOM 0 HB3 SER A 82 6.431 1.266 1.963 1.00 0.02 H new ATOM 0 HG SER A 82 8.794 2.254 1.730 1.00 -0.55 H new ATOM 1191 N LEU A 83 6.561 3.050 -0.896 1.00 -0.46 N ATOM 1192 CA LEU A 83 7.282 2.927 -2.173 1.00 0.04 C ATOM 1193 C LEU A 83 8.436 3.913 -2.242 1.00 0.62 C ATOM 1194 O LEU A 83 9.554 3.493 -2.496 1.00 -0.50 O ATOM 1195 CB LEU A 83 6.405 3.176 -3.441 1.00 -0.06 C ATOM 1196 CG LEU A 83 5.651 1.950 -4.048 1.00 -0.01 C ATOM 1197 CD1 LEU A 83 6.610 0.837 -4.565 1.00 -0.11 C ATOM 1198 CD2 LEU A 83 4.587 1.362 -3.088 1.00 -0.11 C ATOM 0 H LEU A 83 5.546 2.968 -0.962 1.00 -0.46 H new ATOM 0 HA LEU A 83 7.621 1.891 -2.185 1.00 0.04 H new ATOM 0 HB2 LEU A 83 5.665 3.937 -3.194 1.00 -0.06 H new ATOM 0 HB3 LEU A 83 7.046 3.594 -4.217 1.00 -0.06 H new ATOM 0 HG LEU A 83 5.123 2.347 -4.915 1.00 -0.01 H new ATOM 0 HD11 LEU A 83 6.025 0.014 -4.974 1.00 -0.11 H new ATOM 0 HD12 LEU A 83 7.255 1.245 -5.343 1.00 -0.11 H new ATOM 0 HD13 LEU A 83 7.222 0.472 -3.740 1.00 -0.11 H new ATOM 0 HD21 LEU A 83 4.096 0.513 -3.564 1.00 -0.11 H new ATOM 0 HD22 LEU A 83 5.070 1.033 -2.168 1.00 -0.11 H new ATOM 0 HD23 LEU A 83 3.845 2.126 -2.855 1.00 -0.11 H new ATOM 1210 N ASN A 84 8.174 5.224 -2.023 1.00 -0.46 N ATOM 1211 CA ASN A 84 9.239 6.231 -2.108 1.00 0.04 C ATOM 1212 C ASN A 84 9.824 6.592 -0.751 1.00 0.62 C ATOM 1213 O ASN A 84 10.710 7.431 -0.735 1.00 -0.50 O ATOM 1214 CB ASN A 84 8.668 7.460 -2.875 1.00 -0.09 C ATOM 1215 CG ASN A 84 9.719 8.374 -3.463 1.00 0.68 C ATOM 1216 OD1 ASN A 84 9.874 8.406 -4.673 1.00 -0.47 O ATOM 1217 ND2 ASN A 84 10.464 9.144 -2.647 1.00 -0.87 N ATOM 0 H ASN A 84 7.253 5.595 -1.792 1.00 -0.46 H new ATOM 0 HA ASN A 84 10.088 5.822 -2.657 1.00 0.04 H new ATOM 0 HB2 ASN A 84 8.023 7.104 -3.679 1.00 -0.09 H new ATOM 0 HB3 ASN A 84 8.041 8.037 -2.196 1.00 -0.09 H new ATOM 0 HD21 ASN A 84 11.171 9.766 -3.038 1.00 -0.87 H new ATOM 0 HD22 ASN A 84 10.321 9.105 -1.638 1.00 -0.87 H new ATOM 1224 N ILE A 85 9.372 6.005 0.389 1.00 -0.46 N ATOM 1225 CA ILE A 85 9.913 6.343 1.710 1.00 0.04 C ATOM 1226 C ILE A 85 10.257 5.053 2.453 1.00 0.62 C ATOM 1227 O ILE A 85 11.188 4.402 2.005 1.00 -0.50 O ATOM 1228 CB ILE A 85 9.014 7.375 2.472 1.00 -0.01 C ATOM 1229 CG1 ILE A 85 8.600 8.599 1.593 1.00 -0.05 C ATOM 1230 CG2 ILE A 85 9.761 7.884 3.742 1.00 -0.09 C ATOM 1231 CD1 ILE A 85 7.315 8.363 0.749 1.00 -0.09 C ATOM 0 H ILE A 85 8.636 5.299 0.408 1.00 -0.46 H new ATOM 0 HA ILE A 85 10.852 6.888 1.615 1.00 0.04 H new ATOM 0 HB ILE A 85 8.098 6.851 2.744 1.00 -0.01 H new ATOM 0 HG12 ILE A 85 8.444 9.462 2.240 1.00 -0.05 H new ATOM 0 HG13 ILE A 85 9.423 8.847 0.923 1.00 -0.05 H new ATOM 0 HG21 ILE A 85 9.133 8.602 4.270 1.00 -0.09 H new ATOM 0 HG22 ILE A 85 9.979 7.041 4.398 1.00 -0.09 H new ATOM 0 HG23 ILE A 85 10.693 8.365 3.447 1.00 -0.09 H new ATOM 0 HD11 ILE A 85 7.093 9.257 0.167 1.00 -0.09 H new ATOM 0 HD12 ILE A 85 7.472 7.521 0.075 1.00 -0.09 H new ATOM 0 HD13 ILE A 85 6.478 8.145 1.413 1.00 -0.09 H new ATOM 1243 N ASP A 86 9.581 4.625 3.551 1.00 -0.46 N ATOM 1244 CA ASP A 86 10.029 3.450 4.306 1.00 0.04 C ATOM 1245 C ASP A 86 8.907 2.864 5.143 1.00 0.62 C ATOM 1246 O ASP A 86 7.868 3.494 5.264 1.00 -0.50 O ATOM 1247 CB ASP A 86 11.212 3.854 5.228 1.00 -0.40 C ATOM 1248 CG ASP A 86 12.502 3.908 4.457 1.00 0.71 C ATOM 1249 OD1 ASP A 86 12.961 2.809 4.028 1.00 -0.72 O ATOM 1250 OD2 ASP A 86 13.061 5.022 4.282 1.00 -0.72 O ATOM 0 H ASP A 86 8.742 5.073 3.919 1.00 -0.46 H new ATOM 0 HA ASP A 86 10.349 2.688 3.595 1.00 0.04 H new ATOM 0 HB2 ASP A 86 11.012 4.827 5.677 1.00 -0.40 H new ATOM 0 HB3 ASP A 86 11.302 3.138 6.045 1.00 -0.40 H new ATOM 1255 N CYS A 87 9.105 1.660 5.736 1.00 -0.46 N ATOM 1256 CA CYS A 87 8.075 1.080 6.601 1.00 0.04 C ATOM 1257 C CYS A 87 7.525 2.096 7.580 1.00 0.62 C ATOM 1258 O CYS A 87 6.316 2.132 7.746 1.00 -0.50 O ATOM 1259 CB CYS A 87 8.634 -0.103 7.436 1.00 -0.10 C ATOM 1260 SG CYS A 87 8.975 -1.555 6.391 1.00 0.82 S ATOM 0 H CYS A 87 9.947 1.094 5.629 1.00 -0.46 H new ATOM 0 HA CYS A 87 7.286 0.737 5.932 1.00 0.04 H new ATOM 0 HB2 CYS A 87 9.549 0.207 7.940 1.00 -0.10 H new ATOM 0 HB3 CYS A 87 7.918 -0.372 8.212 1.00 -0.10 H new ATOM 1265 N SER A 88 8.391 2.909 8.233 1.00 -0.46 N ATOM 1266 CA SER A 88 7.897 3.954 9.134 1.00 0.04 C ATOM 1267 C SER A 88 6.907 3.376 10.124 1.00 0.62 C ATOM 1268 O SER A 88 5.713 3.573 9.964 1.00 -0.50 O ATOM 1269 CB SER A 88 7.300 5.082 8.258 1.00 0.02 C ATOM 1270 OG SER A 88 8.340 5.571 7.391 1.00 -0.55 O ATOM 0 H SER A 88 9.406 2.857 8.150 1.00 -0.46 H new ATOM 0 HA SER A 88 8.702 4.373 9.738 1.00 0.04 H new ATOM 0 HB2 SER A 88 6.461 4.706 7.672 1.00 0.02 H new ATOM 0 HB3 SER A 88 6.916 5.887 8.884 1.00 0.02 H new ATOM 0 HG SER A 88 8.369 5.027 6.576 1.00 -0.55 H new ATOM 1276 N ARG A 89 7.392 2.643 11.156 1.00 -0.46 N ATOM 1277 CA ARG A 89 6.480 1.932 12.047 1.00 0.04 C ATOM 1278 C ARG A 89 6.098 2.844 13.197 1.00 0.62 C ATOM 1279 O ARG A 89 4.926 3.149 13.350 1.00 -0.50 O ATOM 1280 CB ARG A 89 7.050 0.587 12.594 1.00 -0.08 C ATOM 1281 CG ARG A 89 7.538 -0.430 11.517 1.00 -0.10 C ATOM 1282 CD ARG A 89 8.989 -0.202 10.998 1.00 -0.23 C ATOM 1283 NE ARG A 89 9.480 -1.354 10.233 1.00 -0.32 N ATOM 1284 CZ ARG A 89 10.731 -1.504 9.851 1.00 0.76 C ATOM 1285 NH1 ARG A 89 11.648 -0.589 10.044 1.00 -0.62 N ATOM 1286 NH2 ARG A 89 11.080 -2.614 9.248 1.00 -0.62 N ATOM 0 H ARG A 89 8.382 2.538 11.378 1.00 -0.46 H new ATOM 0 HA ARG A 89 5.604 1.664 11.456 1.00 0.04 H new ATOM 0 HB2 ARG A 89 7.884 0.811 13.259 1.00 -0.08 H new ATOM 0 HB3 ARG A 89 6.280 0.107 13.198 1.00 -0.08 H new ATOM 0 HG2 ARG A 89 7.472 -1.435 11.933 1.00 -0.10 H new ATOM 0 HG3 ARG A 89 6.855 -0.391 10.668 1.00 -0.10 H new ATOM 0 HD2 ARG A 89 9.015 0.689 10.371 1.00 -0.23 H new ATOM 0 HD3 ARG A 89 9.653 -0.017 11.843 1.00 -0.23 H new ATOM 0 HE ARG A 89 8.812 -2.083 9.982 1.00 -0.32 H new ATOM 0 HH11 ARG A 89 11.405 0.286 10.509 1.00 -0.62 H new ATOM 0 HH12 ARG A 89 12.605 -0.752 9.730 1.00 -0.62 H new ATOM 0 HH21 ARG A 89 10.387 -3.344 9.082 1.00 -0.62 H new ATOM 0 HH22 ARG A 89 12.045 -2.748 8.945 1.00 -0.62 H new ATOM 1300 N VAL A 90 7.076 3.286 14.023 1.00 -0.46 N ATOM 1301 CA VAL A 90 6.769 4.086 15.211 1.00 0.04 C ATOM 1302 C VAL A 90 7.743 5.240 15.279 1.00 0.62 C ATOM 1303 O VAL A 90 8.858 5.145 14.788 1.00 -0.50 O ATOM 1304 CB VAL A 90 6.877 3.186 16.478 1.00 -0.01 C ATOM 1305 CG1 VAL A 90 6.556 3.980 17.775 1.00 -0.09 C ATOM 1306 CG2 VAL A 90 5.934 1.954 16.369 1.00 -0.09 C ATOM 1307 OXT VAL A 90 7.304 6.345 15.891 1.00 0.00 O ATOM 0 H VAL A 90 8.069 3.100 13.883 1.00 -0.46 H new ATOM 0 HA VAL A 90 5.755 4.482 15.159 1.00 0.04 H new ATOM 0 HB VAL A 90 7.909 2.839 16.535 1.00 -0.01 H new ATOM 0 HG11 VAL A 90 6.642 3.319 18.637 1.00 -0.09 H new ATOM 0 HG12 VAL A 90 7.260 4.806 17.880 1.00 -0.09 H new ATOM 0 HG13 VAL A 90 5.541 4.373 17.719 1.00 -0.09 H new ATOM 0 HG21 VAL A 90 6.029 1.343 17.266 1.00 -0.09 H new ATOM 0 HG22 VAL A 90 4.903 2.293 16.268 1.00 -0.09 H new ATOM 0 HG23 VAL A 90 6.208 1.362 15.496 1.00 -0.09 H new TER 1318 VAL A 90 HETATM 1319 C1 E2P A 91 -2.418 2.513 0.283 1.00 -0.12 C HETATM 1320 C2 E2P A 91 -2.618 2.870 -1.210 1.00 -0.07 C HETATM 1321 C3 E2P A 91 -2.934 1.607 -2.067 1.00 -0.07 C HETATM 1322 C4 E2P A 91 -1.653 0.837 -2.485 1.00 -0.07 C HETATM 1323 C5 E2P A 91 -0.964 1.531 -3.692 1.00 -0.06 C HETATM 1324 C6 E2P A 91 0.449 0.956 -3.993 1.00 0.16 C HETATM 1325 O6 E2P A 91 1.418 1.620 -3.176 1.00 -0.46 O HETATM 1326 C7 E2P A 91 0.534 -0.550 -3.884 1.00 0.02 C HETATM 1327 C8 E2P A 91 1.206 -1.188 -2.919 1.00 -0.14 C HETATM 1328 C9 E2P A 91 1.331 -2.653 -2.848 1.00 0.02 C HETATM 1329 C10 E2P A 91 1.304 -3.534 -4.073 1.00 -0.01 C HETATM 1330 C11 E2P A 91 1.906 -4.879 -3.584 1.00 -0.02 C HETATM 1331 C12 E2P A 91 1.763 -4.731 -2.099 1.00 0.21 C HETATM 1332 O12 E2P A 91 1.864 -5.652 -1.304 1.00 -0.34 O HETATM 1333 C13 E2P A 91 1.511 -3.340 -1.718 1.00 -0.11 C HETATM 1334 C14 E2P A 91 1.505 -2.813 -0.304 1.00 0.04 C HETATM 1335 C15 E2P A 91 0.349 -1.922 0.102 1.00 -0.12 C HETATM 1336 C16 E2P A 91 0.019 -1.618 1.368 1.00 -0.11 C HETATM 1337 C17 E2P A 91 0.720 -2.139 2.605 1.00 -0.01 C HETATM 1338 C18 E2P A 91 0.952 -1.097 3.734 1.00 -0.07 C HETATM 1339 C19 E2P A 91 -0.344 -0.768 4.532 1.00 -0.01 C HETATM 1340 C20 E2P A 91 -0.042 -0.109 5.855 1.00 0.35 C HETATM 1341 O21 E2P A 91 -0.791 0.936 6.193 1.00 -0.38 O HETATM 1342 O20 E2P A 91 0.842 -0.504 6.598 1.00 -0.35 O HETATM 0 H192 E2P A 91 -0.979 -0.112 3.937 1.00 -0.01 H new HETATM 0 H191 E2P A 91 -0.906 -1.686 4.704 1.00 -0.01 H new HETATM 0 H182 E2P A 91 1.709 -1.476 4.421 1.00 -0.07 H new HETATM 0 H181 E2P A 91 1.347 -0.179 3.299 1.00 -0.07 H new HETATM 0 H172 E2P A 91 0.136 -2.964 3.011 1.00 -0.01 H new HETATM 0 H171 E2P A 91 1.686 -2.548 2.308 1.00 -0.01 H new HETATM 0 H142 E2P A 91 1.527 -3.666 0.374 1.00 0.04 H new HETATM 0 H141 E2P A 91 2.430 -2.258 -0.147 1.00 0.04 H new HETATM 0 H102 E2P A 91 0.289 -3.664 -4.448 1.00 -0.01 H new HETATM 0 H101 E2P A 91 1.892 -3.106 -4.885 1.00 -0.01 H new HETATM 0 HO6 E2P A 91 1.201 1.479 -2.231 1.00 -0.46 H new HETATM 0 H8 E2P A 91 1.687 -0.591 -2.144 1.00 -0.14 H new HETATM 0 H79 E2P A 91 1.358 -5.740 -3.968 1.00 -0.02 H new HETATM 0 H78 E2P A 91 2.946 -5.001 -3.888 1.00 -0.02 H new HETATM 0 H7 E2P A 91 0.019 -1.150 -4.634 1.00 0.02 H new HETATM 0 H6 E2P A 91 0.669 1.159 -5.041 1.00 0.16 H new HETATM 0 H52 E2P A 91 -1.592 1.420 -4.576 1.00 -0.06 H new HETATM 0 H51 E2P A 91 -0.881 2.599 -3.492 1.00 -0.06 H new HETATM 0 H42 E2P A 91 -0.961 0.788 -1.644 1.00 -0.07 H new HETATM 0 H41 E2P A 91 -1.909 -0.190 -2.747 1.00 -0.07 H new HETATM 0 H32 E2P A 91 -3.586 0.941 -1.501 1.00 -0.07 H new HETATM 0 H31 E2P A 91 -3.482 1.906 -2.960 1.00 -0.07 H new HETATM 0 H22 E2P A 91 -3.432 3.588 -1.307 1.00 -0.07 H new HETATM 0 H21 E2P A 91 -1.719 3.354 -1.592 1.00 -0.07 H new HETATM 0 H16 E2P A 91 -0.822 -0.941 1.517 1.00 -0.11 H new HETATM 0 H15 E2P A 91 -0.261 -1.495 -0.694 1.00 -0.12 H new HETATM 0 H13 E2P A 91 -2.200 3.419 0.848 1.00 -0.12 H new HETATM 0 H12 E2P A 91 -3.326 2.053 0.672 1.00 -0.12 H new HETATM 0 H11 E2P A 91 -1.587 1.815 0.382 1.00 -0.12 H new