USER MOD reduce.3.24.130724 H: found=0, std=0, add=678, rem=0, adj=18 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 16 TYR OH : rot -59:sc= 0.642 USER MOD Set 1.2: A 65 ASN : amide:sc= -2.86 X(o=-2.2,f=-1.9) USER MOD Set 2.1: A 52 LYS NZ :NH3+ -166:sc= 1.18 (180deg=0) USER MOD Set 2.2: A 82 SER OG : rot -40:sc= 2.17 USER MOD Set 3.1: A 5 HIS : no HD1:sc= 0.474 K(o=0.9,f=-4.7!) USER MOD Set 3.2: A 37 GLN : amide:sc= 0.427 K(o=0.9,f=0.13) USER MOD Set 4.1: A 32 LYS NZ :NH3+ -141:sc= 0.848 (180deg=-0.291!) USER MOD Set 4.2: A 33 ASN : amide:sc= 1.27 K(o=2.1,f=-8.1!) USER MOD Single : A 1 ILE N :NH3+ -131:sc= 0.0416 (180deg=-0.167) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -78:sc= 0.94 USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 24 SER OG : rot 180:sc= 0.0318 USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 35 HIS : no HE2:sc= 0.387 K(o=0.39,f=-4.4!) USER MOD Single : A 36 ASN : amide:sc= -0.238 X(o=-0.24,f=0) USER MOD Single : A 40 SER OG : rot 180:sc= -0.366 USER MOD Single : A 41 GLN : amide:sc= 0 K(o=0,f=-2.2!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -0.707! C(o=-0.71!,f=-13!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= 0.671 K(o=0.67,f=-0.28) USER MOD Single : A 59 HIS : no HE2:sc= -0.996 K(o=-1,f=-4!) USER MOD Single : A 60 ASN : amide:sc= -0.128 X(o=-0.13,f=-0.15) USER MOD Single : A 62 ASN : amide:sc= 0.104 K(o=0.1,f=-6.9!) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= 1.05 K(o=1.1,f=-0.65) USER MOD Single : A 79 TYR OH : rot 37:sc= 1.22 USER MOD Single : A 80 THR OG1 : rot 32:sc= 1.28 USER MOD Single : A 84 ASN : amide:sc= 1.24 K(o=1.2,f=-7.5!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 E2P O6 : rot -120:sc=-0.000584 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 1.893 -0.471 -10.621 1.00 -0.46 N ATOM 2 CA ILE A 1 2.456 -0.057 -11.917 1.00 0.04 C ATOM 3 C ILE A 1 3.548 0.967 -11.716 1.00 0.62 C ATOM 4 O ILE A 1 3.512 1.661 -10.711 1.00 -0.50 O ATOM 5 CB ILE A 1 1.459 0.434 -13.020 1.00 -0.01 C ATOM 6 CG1 ILE A 1 1.014 1.930 -12.945 1.00 -0.05 C ATOM 7 CG2 ILE A 1 0.259 -0.540 -13.169 1.00 -0.09 C ATOM 8 CD1 ILE A 1 0.221 2.361 -11.684 1.00 -0.09 C ATOM 0 H1 ILE A 1 1.857 -1.509 -10.574 1.00 -0.46 H new ATOM 0 H2 ILE A 1 2.492 -0.110 -9.851 1.00 -0.46 H new ATOM 0 H3 ILE A 1 0.932 -0.086 -10.521 1.00 -0.46 H new ATOM 0 HA ILE A 1 2.845 -0.991 -12.323 1.00 0.04 H new ATOM 0 HB ILE A 1 2.047 0.411 -13.937 1.00 -0.01 H new ATOM 0 HG12 ILE A 1 1.905 2.554 -13.015 1.00 -0.05 H new ATOM 0 HG13 ILE A 1 0.403 2.147 -13.821 1.00 -0.05 H new ATOM 0 HG21 ILE A 1 -0.415 -0.171 -13.942 1.00 -0.09 H new ATOM 0 HG22 ILE A 1 0.625 -1.528 -13.448 1.00 -0.09 H new ATOM 0 HG23 ILE A 1 -0.277 -0.605 -12.222 1.00 -0.09 H new ATOM 0 HD11 ILE A 1 -0.028 3.420 -11.755 1.00 -0.09 H new ATOM 0 HD12 ILE A 1 -0.697 1.777 -11.614 1.00 -0.09 H new ATOM 0 HD13 ILE A 1 0.829 2.190 -10.796 1.00 -0.09 H new ATOM 22 N ASP A 2 4.525 1.070 -12.648 1.00 -0.46 N ATOM 23 CA ASP A 2 5.582 2.065 -12.500 1.00 0.04 C ATOM 24 C ASP A 2 6.087 2.085 -11.072 1.00 0.62 C ATOM 25 O ASP A 2 5.884 3.075 -10.388 1.00 -0.50 O ATOM 26 CB ASP A 2 4.996 3.412 -12.995 1.00 -0.40 C ATOM 27 CG ASP A 2 4.520 3.350 -14.422 1.00 0.71 C ATOM 28 OD1 ASP A 2 4.587 2.255 -15.044 1.00 -0.72 O ATOM 29 OD2 ASP A 2 4.067 4.411 -14.928 1.00 -0.72 O ATOM 0 H ASP A 2 4.593 0.489 -13.483 1.00 -0.46 H new ATOM 0 HA ASP A 2 6.464 1.835 -13.098 1.00 0.04 H new ATOM 0 HB2 ASP A 2 4.165 3.700 -12.351 1.00 -0.40 H new ATOM 0 HB3 ASP A 2 5.755 4.189 -12.903 1.00 -0.40 H new ATOM 34 N CYS A 3 6.734 0.980 -10.622 1.00 -0.46 N ATOM 35 CA CYS A 3 7.260 0.895 -9.253 1.00 0.04 C ATOM 36 C CYS A 3 8.062 2.144 -8.934 1.00 0.62 C ATOM 37 O CYS A 3 9.272 2.142 -9.087 1.00 -0.50 O ATOM 38 CB CYS A 3 8.110 -0.397 -9.089 1.00 -0.10 C ATOM 39 SG CYS A 3 9.109 -0.504 -7.561 1.00 0.82 S ATOM 0 H CYS A 3 6.898 0.148 -11.188 1.00 -0.46 H new ATOM 0 HA CYS A 3 6.435 0.838 -8.543 1.00 0.04 H new ATOM 0 HB2 CYS A 3 7.441 -1.257 -9.124 1.00 -0.10 H new ATOM 0 HB3 CYS A 3 8.780 -0.480 -9.945 1.00 -0.10 H new ATOM 44 N GLY A 4 7.377 3.214 -8.473 1.00 -0.46 N ATOM 45 CA GLY A 4 8.006 4.525 -8.321 1.00 0.04 C ATOM 46 C GLY A 4 6.912 5.570 -8.237 1.00 0.62 C ATOM 47 O GLY A 4 6.856 6.327 -7.282 1.00 -0.50 O ATOM 0 H GLY A 4 6.394 3.186 -8.204 1.00 -0.46 H new ATOM 0 HA2 GLY A 4 8.623 4.548 -7.423 1.00 0.04 H new ATOM 0 HA3 GLY A 4 8.664 4.731 -9.165 1.00 0.04 H new ATOM 51 N HIS A 5 5.994 5.586 -9.231 1.00 -0.46 N ATOM 52 CA HIS A 5 4.772 6.382 -9.095 1.00 0.04 C ATOM 53 C HIS A 5 4.008 5.859 -7.897 1.00 0.62 C ATOM 54 O HIS A 5 3.679 6.637 -7.017 1.00 -0.50 O ATOM 55 CB HIS A 5 3.903 6.289 -10.378 1.00 -0.10 C ATOM 56 CG HIS A 5 2.509 6.834 -10.204 1.00 0.06 C ATOM 57 ND1 HIS A 5 2.185 8.038 -9.836 1.00 -0.06 N ATOM 58 CD2 HIS A 5 1.363 6.178 -10.405 1.00 -0.04 C ATOM 59 CE1 HIS A 5 0.894 8.195 -9.793 1.00 0.11 C ATOM 60 NE2 HIS A 5 0.421 7.036 -10.146 1.00 -0.06 N ATOM 0 H HIS A 5 6.079 5.071 -10.107 1.00 -0.46 H new ATOM 0 HA HIS A 5 5.027 7.432 -8.953 1.00 0.04 H new ATOM 0 HB2 HIS A 5 4.399 6.832 -11.182 1.00 -0.10 H new ATOM 0 HB3 HIS A 5 3.840 5.246 -10.689 1.00 -0.10 H new ATOM 0 HD2 HIS A 5 1.244 5.151 -10.717 1.00 -0.04 H new ATOM 0 HE1 HIS A 5 0.342 9.084 -9.526 1.00 0.11 H new ATOM 0 HE2 HIS A 5 -0.575 6.824 -10.212 1.00 -0.06 H new ATOM 69 N VAL A 6 3.737 4.534 -7.835 1.00 -0.46 N ATOM 70 CA VAL A 6 3.122 3.959 -6.633 1.00 0.04 C ATOM 71 C VAL A 6 3.830 4.513 -5.414 1.00 0.62 C ATOM 72 O VAL A 6 3.193 5.137 -4.580 1.00 -0.50 O ATOM 73 CB VAL A 6 3.187 2.397 -6.658 1.00 -0.01 C ATOM 74 CG1 VAL A 6 3.022 1.762 -5.250 1.00 -0.09 C ATOM 75 CG2 VAL A 6 2.105 1.815 -7.610 1.00 -0.09 C ATOM 0 H VAL A 6 3.930 3.867 -8.582 1.00 -0.46 H new ATOM 0 HA VAL A 6 2.068 4.233 -6.599 1.00 0.04 H new ATOM 0 HB VAL A 6 4.182 2.143 -7.023 1.00 -0.01 H new ATOM 0 HG11 VAL A 6 3.076 0.676 -5.332 1.00 -0.09 H new ATOM 0 HG12 VAL A 6 3.818 2.116 -4.595 1.00 -0.09 H new ATOM 0 HG13 VAL A 6 2.056 2.047 -4.833 1.00 -0.09 H new ATOM 0 HG21 VAL A 6 2.169 0.727 -7.612 1.00 -0.09 H new ATOM 0 HG22 VAL A 6 1.116 2.120 -7.267 1.00 -0.09 H new ATOM 0 HG23 VAL A 6 2.270 2.190 -8.620 1.00 -0.09 H new ATOM 85 N ASP A 7 5.161 4.303 -5.307 1.00 -0.46 N ATOM 86 CA ASP A 7 5.885 4.770 -4.127 1.00 0.04 C ATOM 87 C ASP A 7 5.599 6.234 -3.853 1.00 0.62 C ATOM 88 O ASP A 7 5.229 6.576 -2.742 1.00 -0.50 O ATOM 89 CB ASP A 7 7.410 4.537 -4.287 1.00 -0.40 C ATOM 90 CG ASP A 7 8.153 5.075 -3.097 1.00 0.71 C ATOM 91 OD1 ASP A 7 7.761 4.732 -1.952 1.00 -0.72 O ATOM 92 OD2 ASP A 7 9.132 5.849 -3.292 1.00 -0.72 O ATOM 0 H ASP A 7 5.732 3.827 -6.005 1.00 -0.46 H new ATOM 0 HA ASP A 7 5.535 4.190 -3.273 1.00 0.04 H new ATOM 0 HB2 ASP A 7 7.611 3.471 -4.397 1.00 -0.40 H new ATOM 0 HB3 ASP A 7 7.765 5.024 -5.195 1.00 -0.40 H new ATOM 97 N SER A 8 5.745 7.131 -4.852 1.00 -0.46 N ATOM 98 CA SER A 8 5.495 8.551 -4.598 1.00 0.04 C ATOM 99 C SER A 8 4.194 8.753 -3.848 1.00 0.62 C ATOM 100 O SER A 8 4.157 9.525 -2.902 1.00 -0.50 O ATOM 101 CB SER A 8 5.450 9.362 -5.922 1.00 0.02 C ATOM 102 OG SER A 8 5.328 10.773 -5.674 1.00 -0.55 O ATOM 0 H SER A 8 6.025 6.902 -5.806 1.00 -0.46 H new ATOM 0 HA SER A 8 6.321 8.913 -3.986 1.00 0.04 H new ATOM 0 HB2 SER A 8 6.355 9.170 -6.498 1.00 0.02 H new ATOM 0 HB3 SER A 8 4.609 9.024 -6.528 1.00 0.02 H new ATOM 0 HG SER A 8 5.304 11.254 -6.527 1.00 -0.55 H new ATOM 108 N LEU A 9 3.109 8.059 -4.259 1.00 -0.46 N ATOM 109 CA LEU A 9 1.817 8.236 -3.588 1.00 0.04 C ATOM 110 C LEU A 9 1.783 7.583 -2.219 1.00 0.62 C ATOM 111 O LEU A 9 1.005 8.040 -1.393 1.00 -0.50 O ATOM 112 CB LEU A 9 0.650 7.710 -4.475 1.00 -0.06 C ATOM 113 CG LEU A 9 0.219 8.705 -5.597 1.00 -0.01 C ATOM 114 CD1 LEU A 9 1.396 9.214 -6.473 1.00 -0.11 C ATOM 115 CD2 LEU A 9 -0.843 8.030 -6.506 1.00 -0.11 C ATOM 0 H LEU A 9 3.107 7.391 -5.030 1.00 -0.46 H new ATOM 0 HA LEU A 9 1.685 9.308 -3.438 1.00 0.04 H new ATOM 0 HB2 LEU A 9 0.949 6.767 -4.933 1.00 -0.06 H new ATOM 0 HB3 LEU A 9 -0.210 7.497 -3.840 1.00 -0.06 H new ATOM 0 HG LEU A 9 -0.192 9.579 -5.092 1.00 -0.01 H new ATOM 0 HD11 LEU A 9 1.016 9.901 -7.230 1.00 -0.11 H new ATOM 0 HD12 LEU A 9 2.120 9.732 -5.844 1.00 -0.11 H new ATOM 0 HD13 LEU A 9 1.879 8.367 -6.961 1.00 -0.11 H new ATOM 0 HD21 LEU A 9 -1.145 8.724 -7.290 1.00 -0.11 H new ATOM 0 HD22 LEU A 9 -0.418 7.134 -6.958 1.00 -0.11 H new ATOM 0 HD23 LEU A 9 -1.713 7.757 -5.908 1.00 -0.11 H new ATOM 127 N VAL A 10 2.585 6.534 -1.918 1.00 -0.46 N ATOM 128 CA VAL A 10 2.568 5.978 -0.560 1.00 0.04 C ATOM 129 C VAL A 10 3.318 6.875 0.394 1.00 0.62 C ATOM 130 O VAL A 10 2.960 6.879 1.559 1.00 -0.50 O ATOM 131 CB VAL A 10 3.118 4.530 -0.375 1.00 -0.01 C ATOM 132 CG1 VAL A 10 2.652 3.615 -1.532 1.00 -0.09 C ATOM 133 CG2 VAL A 10 4.660 4.449 -0.178 1.00 -0.09 C ATOM 0 H VAL A 10 3.223 6.078 -2.570 1.00 -0.46 H new ATOM 0 HA VAL A 10 1.501 5.922 -0.344 1.00 0.04 H new ATOM 0 HB VAL A 10 2.692 4.170 0.561 1.00 -0.01 H new ATOM 0 HG11 VAL A 10 3.047 2.610 -1.383 1.00 -0.09 H new ATOM 0 HG12 VAL A 10 1.563 3.578 -1.550 1.00 -0.09 H new ATOM 0 HG13 VAL A 10 3.017 4.012 -2.479 1.00 -0.09 H new ATOM 0 HG21 VAL A 10 4.957 3.407 -0.057 1.00 -0.09 H new ATOM 0 HG22 VAL A 10 5.161 4.870 -1.050 1.00 -0.09 H new ATOM 0 HG23 VAL A 10 4.943 5.013 0.711 1.00 -0.09 H new ATOM 143 N ARG A 11 4.362 7.619 -0.036 1.00 -0.46 N ATOM 144 CA ARG A 11 5.155 8.389 0.925 1.00 0.04 C ATOM 145 C ARG A 11 4.315 9.097 1.982 1.00 0.62 C ATOM 146 O ARG A 11 4.591 8.865 3.151 1.00 -0.50 O ATOM 147 CB ARG A 11 6.211 9.326 0.270 1.00 -0.08 C ATOM 148 CG ARG A 11 7.264 8.618 -0.642 1.00 -0.10 C ATOM 149 CD ARG A 11 8.028 7.443 0.035 1.00 -0.23 C ATOM 150 NE ARG A 11 9.071 6.891 -0.837 1.00 -0.32 N ATOM 151 CZ ARG A 11 9.893 5.925 -0.482 1.00 0.76 C ATOM 152 NH1 ARG A 11 9.873 5.374 0.706 1.00 -0.62 N ATOM 153 NH2 ARG A 11 10.772 5.485 -1.348 1.00 -0.62 N ATOM 0 H ARG A 11 4.661 7.697 -1.008 1.00 -0.46 H new ATOM 0 HA ARG A 11 5.732 7.635 1.460 1.00 0.04 H new ATOM 0 HB2 ARG A 11 5.688 10.076 -0.323 1.00 -0.08 H new ATOM 0 HB3 ARG A 11 6.740 9.858 1.061 1.00 -0.08 H new ATOM 0 HG2 ARG A 11 6.759 8.240 -1.531 1.00 -0.10 H new ATOM 0 HG3 ARG A 11 7.989 9.359 -0.978 1.00 -0.10 H new ATOM 0 HD2 ARG A 11 8.479 7.791 0.964 1.00 -0.23 H new ATOM 0 HD3 ARG A 11 7.322 6.656 0.299 1.00 -0.23 H new ATOM 0 HE ARG A 11 9.165 7.279 -1.776 1.00 -0.32 H new ATOM 0 HH11 ARG A 11 9.200 5.691 1.404 1.00 -0.62 H new ATOM 0 HH12 ARG A 11 10.531 4.628 0.933 1.00 -0.62 H new ATOM 0 HH21 ARG A 11 10.813 5.890 -2.283 1.00 -0.62 H new ATOM 0 HH22 ARG A 11 11.415 4.737 -1.087 1.00 -0.62 H new ATOM 167 N PRO A 12 3.281 9.933 1.706 1.00 -0.23 N ATOM 168 CA PRO A 12 2.491 10.480 2.807 1.00 0.04 C ATOM 169 C PRO A 12 1.785 9.399 3.606 1.00 0.53 C ATOM 170 O PRO A 12 1.591 9.582 4.798 1.00 -0.50 O ATOM 171 CB PRO A 12 1.521 11.401 2.023 1.00 -0.12 C ATOM 172 CG PRO A 12 1.454 10.779 0.609 1.00 -0.12 C ATOM 173 CD PRO A 12 2.911 10.327 0.353 1.00 -0.01 C ATOM 0 HA PRO A 12 3.067 10.996 3.575 1.00 0.04 H new ATOM 0 HB2 PRO A 12 0.537 11.431 2.491 1.00 -0.12 H new ATOM 0 HB3 PRO A 12 1.888 12.427 1.988 1.00 -0.12 H new ATOM 0 HG2 PRO A 12 0.759 9.940 0.571 1.00 -0.12 H new ATOM 0 HG3 PRO A 12 1.120 11.503 -0.134 1.00 -0.12 H new ATOM 0 HD2 PRO A 12 2.975 9.502 -0.356 1.00 -0.01 H new ATOM 0 HD3 PRO A 12 3.537 11.130 -0.035 1.00 -0.01 H new ATOM 181 N CYS A 13 1.391 8.255 3.000 1.00 -0.46 N ATOM 182 CA CYS A 13 0.807 7.162 3.781 1.00 0.04 C ATOM 183 C CYS A 13 1.843 6.556 4.705 1.00 0.62 C ATOM 184 O CYS A 13 1.488 6.203 5.819 1.00 -0.50 O ATOM 185 CB CYS A 13 0.240 6.039 2.869 1.00 -0.10 C ATOM 186 SG CYS A 13 -0.888 6.720 1.612 1.00 0.82 S ATOM 0 H CYS A 13 1.467 8.075 1.999 1.00 -0.46 H new ATOM 0 HA CYS A 13 -0.010 7.591 4.362 1.00 0.04 H new ATOM 0 HB2 CYS A 13 1.061 5.515 2.379 1.00 -0.10 H new ATOM 0 HB3 CYS A 13 -0.289 5.305 3.477 1.00 -0.10 H new ATOM 191 N LEU A 14 3.113 6.431 4.244 1.00 -0.46 N ATOM 192 CA LEU A 14 4.176 5.829 5.058 1.00 0.04 C ATOM 193 C LEU A 14 3.998 6.236 6.510 1.00 0.62 C ATOM 194 O LEU A 14 3.996 5.390 7.389 1.00 -0.50 O ATOM 195 CB LEU A 14 5.598 6.242 4.567 1.00 -0.06 C ATOM 196 CG LEU A 14 6.743 5.232 4.890 1.00 -0.01 C ATOM 197 CD1 LEU A 14 8.114 5.886 4.559 1.00 -0.11 C ATOM 198 CD2 LEU A 14 6.731 4.743 6.361 1.00 -0.11 C ATOM 0 H LEU A 14 3.415 6.739 3.320 1.00 -0.46 H new ATOM 0 HA LEU A 14 4.095 4.747 4.958 1.00 0.04 H new ATOM 0 HB2 LEU A 14 5.561 6.389 3.488 1.00 -0.06 H new ATOM 0 HB3 LEU A 14 5.851 7.205 5.012 1.00 -0.06 H new ATOM 0 HG LEU A 14 6.578 4.351 4.270 1.00 -0.01 H new ATOM 0 HD11 LEU A 14 8.916 5.183 4.784 1.00 -0.11 H new ATOM 0 HD12 LEU A 14 8.146 6.148 3.501 1.00 -0.11 H new ATOM 0 HD13 LEU A 14 8.242 6.786 5.160 1.00 -0.11 H new ATOM 0 HD21 LEU A 14 7.552 4.044 6.519 1.00 -0.11 H new ATOM 0 HD22 LEU A 14 6.848 5.596 7.029 1.00 -0.11 H new ATOM 0 HD23 LEU A 14 5.785 4.245 6.571 1.00 -0.11 H new ATOM 210 N SER A 15 3.827 7.552 6.771 1.00 -0.46 N ATOM 211 CA SER A 15 3.692 8.035 8.147 1.00 0.04 C ATOM 212 C SER A 15 2.846 7.148 9.041 1.00 0.62 C ATOM 213 O SER A 15 3.400 6.500 9.914 1.00 -0.50 O ATOM 214 CB SER A 15 3.109 9.477 8.186 1.00 0.02 C ATOM 215 OG SER A 15 1.798 9.543 7.592 1.00 -0.55 O ATOM 0 H SER A 15 3.781 8.279 6.057 1.00 -0.46 H new ATOM 0 HA SER A 15 4.708 8.020 8.540 1.00 0.04 H new ATOM 0 HB2 SER A 15 3.057 9.820 9.219 1.00 0.02 H new ATOM 0 HB3 SER A 15 3.781 10.155 7.659 1.00 0.02 H new ATOM 0 HG SER A 15 1.881 9.551 6.616 1.00 -0.55 H new ATOM 221 N TYR A 16 1.506 7.102 8.868 1.00 -0.46 N ATOM 222 CA TYR A 16 0.668 6.308 9.777 1.00 0.04 C ATOM 223 C TYR A 16 0.819 4.835 9.446 1.00 0.62 C ATOM 224 O TYR A 16 0.796 4.017 10.350 1.00 -0.50 O ATOM 225 CB TYR A 16 -0.794 6.829 9.713 1.00 -0.10 C ATOM 226 CG TYR A 16 -1.778 6.429 10.832 1.00 -0.03 C ATOM 227 CD1 TYR A 16 -1.524 5.495 11.843 1.00 0.00 C ATOM 228 CD2 TYR A 16 -3.023 7.069 10.832 1.00 0.00 C ATOM 229 CE1 TYR A 16 -2.510 5.160 12.777 1.00 -0.26 C ATOM 230 CE2 TYR A 16 -4.029 6.714 11.734 1.00 -0.26 C ATOM 231 CZ TYR A 16 -3.787 5.725 12.687 1.00 0.46 C ATOM 232 OH TYR A 16 -4.818 5.312 13.530 1.00 -0.53 O ATOM 0 H TYR A 16 0.999 7.591 8.130 1.00 -0.46 H new ATOM 0 HA TYR A 16 0.988 6.420 10.813 1.00 0.04 H new ATOM 0 HB2 TYR A 16 -0.755 7.918 9.682 1.00 -0.10 H new ATOM 0 HB3 TYR A 16 -1.220 6.499 8.766 1.00 -0.10 H new ATOM 0 HD1 TYR A 16 -0.553 5.026 11.903 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -3.210 7.857 10.117 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -2.285 4.463 13.570 1.00 -0.26 H new ATOM 0 HE2 TYR A 16 -4.991 7.204 11.693 1.00 -0.26 H new ATOM 0 HH TYR A 16 -4.973 4.352 13.411 1.00 -0.53 H new ATOM 242 N VAL A 17 1.012 4.446 8.163 1.00 -0.46 N ATOM 243 CA VAL A 17 1.311 3.037 7.868 1.00 0.04 C ATOM 244 C VAL A 17 2.336 2.541 8.867 1.00 0.62 C ATOM 245 O VAL A 17 2.171 1.462 9.416 1.00 -0.50 O ATOM 246 CB VAL A 17 1.853 2.848 6.418 1.00 -0.01 C ATOM 247 CG1 VAL A 17 2.554 1.479 6.200 1.00 -0.09 C ATOM 248 CG2 VAL A 17 0.739 3.035 5.354 1.00 -0.09 C ATOM 0 H VAL A 17 0.968 5.063 7.352 1.00 -0.46 H new ATOM 0 HA VAL A 17 0.387 2.463 7.946 1.00 0.04 H new ATOM 0 HB VAL A 17 2.603 3.629 6.291 1.00 -0.01 H new ATOM 0 HG11 VAL A 17 2.908 1.411 5.171 1.00 -0.09 H new ATOM 0 HG12 VAL A 17 3.400 1.391 6.881 1.00 -0.09 H new ATOM 0 HG13 VAL A 17 1.846 0.673 6.394 1.00 -0.09 H new ATOM 0 HG21 VAL A 17 1.160 2.895 4.358 1.00 -0.09 H new ATOM 0 HG22 VAL A 17 -0.050 2.302 5.521 1.00 -0.09 H new ATOM 0 HG23 VAL A 17 0.324 4.040 5.434 1.00 -0.09 H new ATOM 258 N GLN A 18 3.396 3.341 9.126 1.00 -0.46 N ATOM 259 CA GLN A 18 4.364 2.970 10.156 1.00 0.04 C ATOM 260 C GLN A 18 3.779 3.250 11.525 1.00 0.62 C ATOM 261 O GLN A 18 3.748 2.359 12.360 1.00 -0.50 O ATOM 262 CB GLN A 18 5.723 3.680 9.907 1.00 -0.10 C ATOM 263 CG GLN A 18 6.896 3.037 10.695 1.00 -0.10 C ATOM 264 CD GLN A 18 8.241 3.604 10.306 1.00 0.68 C ATOM 265 OE1 GLN A 18 8.306 4.659 9.696 1.00 -0.47 O ATOM 266 NE2 GLN A 18 9.350 2.916 10.644 1.00 -0.87 N ATOM 0 H GLN A 18 3.591 4.220 8.646 1.00 -0.46 H new ATOM 0 HA GLN A 18 4.571 1.901 10.110 1.00 0.04 H new ATOM 0 HB2 GLN A 18 5.951 3.654 8.841 1.00 -0.10 H new ATOM 0 HB3 GLN A 18 5.635 4.729 10.188 1.00 -0.10 H new ATOM 0 HG2 GLN A 18 6.737 3.189 11.763 1.00 -0.10 H new ATOM 0 HG3 GLN A 18 6.897 1.961 10.523 1.00 -0.10 H new ATOM 0 HE21 GLN A 18 9.269 2.036 11.154 1.00 -0.87 H new ATOM 0 HE22 GLN A 18 10.270 3.275 10.390 1.00 -0.87 H new ATOM 275 N GLY A 19 3.296 4.491 11.759 1.00 -0.46 N ATOM 276 CA GLY A 19 2.670 4.840 13.034 1.00 0.04 C ATOM 277 C GLY A 19 2.499 6.344 13.123 1.00 0.62 C ATOM 278 O GLY A 19 3.480 7.037 12.907 1.00 -0.50 O ATOM 0 H GLY A 19 3.331 5.254 11.083 1.00 -0.46 H new ATOM 0 HA2 GLY A 19 1.701 4.348 13.121 1.00 0.04 H new ATOM 0 HA3 GLY A 19 3.284 4.484 13.861 1.00 0.04 H new ATOM 282 N GLY A 20 1.291 6.889 13.411 1.00 -0.46 N ATOM 283 CA GLY A 20 1.110 8.342 13.368 1.00 0.04 C ATOM 284 C GLY A 20 -0.345 8.739 13.218 1.00 0.62 C ATOM 285 O GLY A 20 -1.172 7.843 13.202 1.00 -0.50 O ATOM 0 H GLY A 20 0.459 6.356 13.666 1.00 -0.46 H new ATOM 0 HA2 GLY A 20 1.512 8.783 14.280 1.00 0.04 H new ATOM 0 HA3 GLY A 20 1.683 8.752 12.537 1.00 0.04 H new ATOM 289 N PRO A 21 -0.716 10.040 13.114 1.00 -0.23 N ATOM 290 CA PRO A 21 -2.122 10.398 12.940 1.00 0.04 C ATOM 291 C PRO A 21 -2.492 10.475 11.474 1.00 0.53 C ATOM 292 O PRO A 21 -1.647 10.207 10.637 1.00 -0.50 O ATOM 293 CB PRO A 21 -2.053 11.822 13.545 1.00 -0.12 C ATOM 294 CG PRO A 21 -0.687 12.348 13.043 1.00 -0.12 C ATOM 295 CD PRO A 21 0.249 11.127 13.215 1.00 -0.01 C ATOM 0 HA PRO A 21 -2.846 9.709 13.376 1.00 0.04 H new ATOM 0 HB2 PRO A 21 -2.877 12.447 13.201 1.00 -0.12 H new ATOM 0 HB3 PRO A 21 -2.102 11.801 14.634 1.00 -0.12 H new ATOM 0 HG2 PRO A 21 -0.738 12.673 12.004 1.00 -0.12 H new ATOM 0 HG3 PRO A 21 -0.345 13.202 13.627 1.00 -0.12 H new ATOM 0 HD2 PRO A 21 1.013 11.077 12.439 1.00 -0.01 H new ATOM 0 HD3 PRO A 21 0.768 11.134 14.174 1.00 -0.01 H new ATOM 303 N GLY A 22 -3.746 10.863 11.142 1.00 -0.46 N ATOM 304 CA GLY A 22 -4.111 11.105 9.743 1.00 0.04 C ATOM 305 C GLY A 22 -4.471 9.824 9.018 1.00 0.62 C ATOM 306 O GLY A 22 -5.439 9.217 9.450 1.00 -0.50 O ATOM 0 H GLY A 22 -4.500 11.010 11.813 1.00 -0.46 H new ATOM 0 HA2 GLY A 22 -4.955 11.793 9.703 1.00 0.04 H new ATOM 0 HA3 GLY A 22 -3.280 11.590 9.231 1.00 0.04 H new ATOM 310 N PRO A 23 -3.784 9.346 7.945 1.00 -0.23 N ATOM 311 CA PRO A 23 -2.617 10.022 7.387 1.00 0.04 C ATOM 312 C PRO A 23 -3.033 11.256 6.618 1.00 0.53 C ATOM 313 O PRO A 23 -4.219 11.535 6.538 1.00 -0.50 O ATOM 314 CB PRO A 23 -2.098 8.916 6.437 1.00 -0.12 C ATOM 315 CG PRO A 23 -3.396 8.210 5.984 1.00 -0.12 C ATOM 316 CD PRO A 23 -4.221 8.122 7.287 1.00 -0.01 C ATOM 0 HA PRO A 23 -1.889 10.378 8.116 1.00 0.04 H new ATOM 0 HB2 PRO A 23 -1.550 9.334 5.593 1.00 -0.12 H new ATOM 0 HB3 PRO A 23 -1.422 8.230 6.947 1.00 -0.12 H new ATOM 0 HG2 PRO A 23 -3.917 8.780 5.215 1.00 -0.12 H new ATOM 0 HG3 PRO A 23 -3.194 7.223 5.568 1.00 -0.12 H new ATOM 0 HD2 PRO A 23 -5.295 8.109 7.100 1.00 -0.01 H new ATOM 0 HD3 PRO A 23 -3.988 7.230 7.869 1.00 -0.01 H new ATOM 324 N SER A 24 -2.062 12.009 6.053 1.00 -0.46 N ATOM 325 CA SER A 24 -2.400 13.267 5.383 1.00 0.04 C ATOM 326 C SER A 24 -3.492 13.120 4.343 1.00 0.62 C ATOM 327 O SER A 24 -3.663 12.044 3.790 1.00 -0.50 O ATOM 328 CB SER A 24 -1.160 13.866 4.664 1.00 0.02 C ATOM 329 OG SER A 24 -1.494 15.041 3.902 1.00 -0.55 O ATOM 0 H SER A 24 -1.070 11.771 6.050 1.00 -0.46 H new ATOM 0 HA SER A 24 -2.754 13.923 6.178 1.00 0.04 H new ATOM 0 HB2 SER A 24 -0.399 14.117 5.403 1.00 0.02 H new ATOM 0 HB3 SER A 24 -0.727 13.116 4.002 1.00 0.02 H new ATOM 0 HG SER A 24 -0.688 15.389 3.467 1.00 -0.55 H new ATOM 335 N GLY A 25 -4.238 14.207 4.032 1.00 -0.46 N ATOM 336 CA GLY A 25 -5.192 14.140 2.928 1.00 0.04 C ATOM 337 C GLY A 25 -4.507 13.668 1.666 1.00 0.62 C ATOM 338 O GLY A 25 -5.112 12.926 0.909 1.00 -0.50 O ATOM 0 H GLY A 25 -4.194 15.104 4.516 1.00 -0.46 H new ATOM 0 HA2 GLY A 25 -6.006 13.461 3.183 1.00 0.04 H new ATOM 0 HA3 GLY A 25 -5.636 15.122 2.763 1.00 0.04 H new ATOM 342 N GLN A 26 -3.237 14.075 1.428 1.00 -0.46 N ATOM 343 CA GLN A 26 -2.521 13.586 0.248 1.00 0.04 C ATOM 344 C GLN A 26 -2.569 12.074 0.225 1.00 0.62 C ATOM 345 O GLN A 26 -2.878 11.495 -0.804 1.00 -0.50 O ATOM 346 CB GLN A 26 -1.026 14.013 0.230 1.00 -0.10 C ATOM 347 CG GLN A 26 -0.830 15.539 0.016 1.00 -0.10 C ATOM 348 CD GLN A 26 0.629 15.929 -0.010 1.00 0.68 C ATOM 349 OE1 GLN A 26 1.493 15.085 0.166 1.00 -0.47 O ATOM 350 NE2 GLN A 26 0.940 17.223 -0.230 1.00 -0.87 N ATOM 0 H GLN A 26 -2.711 14.718 2.020 1.00 -0.46 H new ATOM 0 HA GLN A 26 -3.013 14.022 -0.621 1.00 0.04 H new ATOM 0 HB2 GLN A 26 -0.560 13.721 1.171 1.00 -0.10 H new ATOM 0 HB3 GLN A 26 -0.509 13.472 -0.563 1.00 -0.10 H new ATOM 0 HG2 GLN A 26 -1.300 15.836 -0.921 1.00 -0.10 H new ATOM 0 HG3 GLN A 26 -1.336 16.084 0.813 1.00 -0.10 H new ATOM 0 HE21 GLN A 26 0.198 17.908 -0.374 1.00 -0.87 H new ATOM 0 HE22 GLN A 26 1.917 17.516 -0.252 1.00 -0.87 H new ATOM 359 N CYS A 27 -2.275 11.402 1.359 1.00 -0.46 N ATOM 360 CA CYS A 27 -2.375 9.947 1.376 1.00 0.04 C ATOM 361 C CYS A 27 -3.799 9.528 1.116 1.00 0.62 C ATOM 362 O CYS A 27 -3.971 8.565 0.391 1.00 -0.50 O ATOM 363 CB CYS A 27 -1.971 9.330 2.736 1.00 -0.10 C ATOM 364 SG CYS A 27 -2.355 7.544 2.743 1.00 0.82 S ATOM 0 H CYS A 27 -1.979 11.832 2.235 1.00 -0.46 H new ATOM 0 HA CYS A 27 -1.692 9.591 0.605 1.00 0.04 H new ATOM 0 HB2 CYS A 27 -0.907 9.483 2.913 1.00 -0.10 H new ATOM 0 HB3 CYS A 27 -2.504 9.829 3.545 1.00 -0.10 H new ATOM 369 N CYS A 28 -4.826 10.185 1.697 1.00 -0.46 N ATOM 370 CA CYS A 28 -6.196 9.736 1.442 1.00 0.04 C ATOM 371 C CYS A 28 -6.493 9.801 -0.044 1.00 0.62 C ATOM 372 O CYS A 28 -7.056 8.859 -0.578 1.00 -0.50 O ATOM 373 CB CYS A 28 -7.243 10.542 2.248 1.00 -0.10 C ATOM 374 SG CYS A 28 -6.869 10.410 4.033 1.00 0.82 S ATOM 0 H CYS A 28 -4.734 10.990 2.316 1.00 -0.46 H new ATOM 0 HA CYS A 28 -6.271 8.703 1.780 1.00 0.04 H new ATOM 0 HB2 CYS A 28 -7.230 11.587 1.939 1.00 -0.10 H new ATOM 0 HB3 CYS A 28 -8.245 10.162 2.046 1.00 -0.10 H new ATOM 379 N ASP A 29 -6.100 10.882 -0.752 1.00 -0.46 N ATOM 380 CA ASP A 29 -6.235 10.868 -2.210 1.00 0.04 C ATOM 381 C ASP A 29 -5.423 9.707 -2.754 1.00 0.62 C ATOM 382 O ASP A 29 -5.901 8.947 -3.583 1.00 -0.50 O ATOM 383 CB ASP A 29 -5.774 12.214 -2.830 1.00 -0.40 C ATOM 384 CG ASP A 29 -6.013 12.198 -4.316 1.00 0.71 C ATOM 385 OD1 ASP A 29 -7.177 12.430 -4.739 1.00 -0.72 O ATOM 386 OD2 ASP A 29 -5.050 11.933 -5.082 1.00 -0.72 O ATOM 0 H ASP A 29 -5.705 11.734 -0.354 1.00 -0.46 H new ATOM 0 HA ASP A 29 -7.283 10.741 -2.480 1.00 0.04 H new ATOM 0 HB2 ASP A 29 -6.318 13.041 -2.374 1.00 -0.40 H new ATOM 0 HB3 ASP A 29 -4.716 12.377 -2.624 1.00 -0.40 H new ATOM 391 N GLY A 30 -4.177 9.542 -2.257 1.00 -0.46 N ATOM 392 CA GLY A 30 -3.373 8.391 -2.651 1.00 0.04 C ATOM 393 C GLY A 30 -4.092 7.084 -2.406 1.00 0.62 C ATOM 394 O GLY A 30 -3.940 6.194 -3.220 1.00 -0.50 O ATOM 0 H GLY A 30 -3.726 10.179 -1.600 1.00 -0.46 H new ATOM 0 HA2 GLY A 30 -3.119 8.472 -3.708 1.00 0.04 H new ATOM 0 HA3 GLY A 30 -2.435 8.398 -2.096 1.00 0.04 H new ATOM 398 N VAL A 31 -4.864 6.907 -1.312 1.00 -0.46 N ATOM 399 CA VAL A 31 -5.522 5.621 -1.060 1.00 0.04 C ATOM 400 C VAL A 31 -6.391 5.266 -2.243 1.00 0.62 C ATOM 401 O VAL A 31 -6.182 4.229 -2.856 1.00 -0.50 O ATOM 402 CB VAL A 31 -6.382 5.632 0.243 1.00 -0.01 C ATOM 403 CG1 VAL A 31 -7.424 4.481 0.270 1.00 -0.09 C ATOM 404 CG2 VAL A 31 -5.494 5.580 1.518 1.00 -0.09 C ATOM 0 H VAL A 31 -5.040 7.624 -0.608 1.00 -0.46 H new ATOM 0 HA VAL A 31 -4.741 4.873 -0.921 1.00 0.04 H new ATOM 0 HB VAL A 31 -6.927 6.576 0.239 1.00 -0.01 H new ATOM 0 HG11 VAL A 31 -7.997 4.531 1.196 1.00 -0.09 H new ATOM 0 HG12 VAL A 31 -8.098 4.581 -0.580 1.00 -0.09 H new ATOM 0 HG13 VAL A 31 -6.909 3.522 0.214 1.00 -0.09 H new ATOM 0 HG21 VAL A 31 -6.129 5.589 2.404 1.00 -0.09 H new ATOM 0 HG22 VAL A 31 -4.897 4.668 1.509 1.00 -0.09 H new ATOM 0 HG23 VAL A 31 -4.833 6.446 1.536 1.00 -0.09 H new ATOM 414 N LYS A 32 -7.396 6.111 -2.570 1.00 -0.46 N ATOM 415 CA LYS A 32 -8.301 5.750 -3.659 1.00 0.04 C ATOM 416 C LYS A 32 -7.504 5.499 -4.921 1.00 0.62 C ATOM 417 O LYS A 32 -7.797 4.539 -5.620 1.00 -0.50 O ATOM 418 CB LYS A 32 -9.467 6.753 -3.896 1.00 -0.10 C ATOM 419 CG LYS A 32 -8.985 8.152 -4.359 1.00 -0.16 C ATOM 420 CD LYS A 32 -10.154 9.109 -4.713 1.00 -0.18 C ATOM 421 CE LYS A 32 -9.659 10.569 -4.925 1.00 -0.04 C ATOM 422 NZ LYS A 32 -8.536 10.687 -5.888 1.00 -0.14 N ATOM 0 H LYS A 32 -7.587 7.003 -2.114 1.00 -0.46 H new ATOM 0 HA LYS A 32 -8.803 4.832 -3.354 1.00 0.04 H new ATOM 0 HB2 LYS A 32 -10.144 6.343 -4.645 1.00 -0.10 H new ATOM 0 HB3 LYS A 32 -10.039 6.860 -2.974 1.00 -0.10 H new ATOM 0 HG2 LYS A 32 -8.381 8.601 -3.571 1.00 -0.16 H new ATOM 0 HG3 LYS A 32 -8.339 8.038 -5.230 1.00 -0.16 H new ATOM 0 HD2 LYS A 32 -10.650 8.758 -5.618 1.00 -0.18 H new ATOM 0 HD3 LYS A 32 -10.896 9.089 -3.914 1.00 -0.18 H new ATOM 0 HE2 LYS A 32 -10.492 11.178 -5.276 1.00 -0.04 H new ATOM 0 HE3 LYS A 32 -9.347 10.980 -3.965 1.00 -0.04 H new ATOM 0 HZ1 LYS A 32 -7.860 11.399 -5.547 1.00 -0.14 H new ATOM 0 HZ2 LYS A 32 -8.056 9.768 -5.976 1.00 -0.14 H new ATOM 0 HZ3 LYS A 32 -8.904 10.976 -6.817 1.00 -0.14 H new ATOM 436 N ASN A 33 -6.483 6.332 -5.220 1.00 -0.46 N ATOM 437 CA ASN A 33 -5.713 6.131 -6.448 1.00 0.04 C ATOM 438 C ASN A 33 -4.966 4.811 -6.374 1.00 0.62 C ATOM 439 O ASN A 33 -5.089 3.994 -7.272 1.00 -0.50 O ATOM 440 CB ASN A 33 -4.706 7.297 -6.649 1.00 -0.09 C ATOM 441 CG ASN A 33 -5.336 8.671 -6.619 1.00 0.68 C ATOM 442 OD1 ASN A 33 -6.541 8.804 -6.760 1.00 -0.47 O ATOM 443 ND2 ASN A 33 -4.528 9.732 -6.426 1.00 -0.87 N ATOM 0 H ASN A 33 -6.187 7.121 -4.645 1.00 -0.46 H new ATOM 0 HA ASN A 33 -6.399 6.110 -7.295 1.00 0.04 H new ATOM 0 HB2 ASN A 33 -3.944 7.242 -5.872 1.00 -0.09 H new ATOM 0 HB3 ASN A 33 -4.198 7.163 -7.604 1.00 -0.09 H new ATOM 0 HD21 ASN A 33 -4.920 10.673 -6.395 1.00 -0.87 H new ATOM 0 HD22 ASN A 33 -3.524 9.594 -6.311 1.00 -0.87 H new ATOM 450 N LEU A 34 -4.190 4.590 -5.289 1.00 -0.46 N ATOM 451 CA LEU A 34 -3.379 3.381 -5.135 1.00 0.04 C ATOM 452 C LEU A 34 -4.237 2.144 -5.293 1.00 0.62 C ATOM 453 O LEU A 34 -3.901 1.287 -6.096 1.00 -0.50 O ATOM 454 CB LEU A 34 -2.683 3.354 -3.738 1.00 -0.06 C ATOM 455 CG LEU A 34 -1.484 4.353 -3.623 1.00 -0.01 C ATOM 456 CD1 LEU A 34 -1.221 4.809 -2.158 1.00 -0.11 C ATOM 457 CD2 LEU A 34 -0.183 3.710 -4.177 1.00 -0.11 C ATOM 0 H LEU A 34 -4.115 5.242 -4.508 1.00 -0.46 H new ATOM 0 HA LEU A 34 -2.614 3.391 -5.912 1.00 0.04 H new ATOM 0 HB2 LEU A 34 -3.418 3.590 -2.969 1.00 -0.06 H new ATOM 0 HB3 LEU A 34 -2.326 2.344 -3.538 1.00 -0.06 H new ATOM 0 HG LEU A 34 -1.761 5.228 -4.212 1.00 -0.01 H new ATOM 0 HD11 LEU A 34 -0.379 5.501 -2.138 1.00 -0.11 H new ATOM 0 HD12 LEU A 34 -2.109 5.306 -1.767 1.00 -0.11 H new ATOM 0 HD13 LEU A 34 -0.991 3.940 -1.542 1.00 -0.11 H new ATOM 0 HD21 LEU A 34 0.640 4.420 -4.089 1.00 -0.11 H new ATOM 0 HD22 LEU A 34 0.050 2.811 -3.606 1.00 -0.11 H new ATOM 0 HD23 LEU A 34 -0.325 3.448 -5.225 1.00 -0.11 H new ATOM 469 N HIS A 35 -5.353 2.029 -4.536 1.00 -0.46 N ATOM 470 CA HIS A 35 -6.167 0.816 -4.634 1.00 0.04 C ATOM 471 C HIS A 35 -6.758 0.655 -6.021 1.00 0.62 C ATOM 472 O HIS A 35 -7.097 -0.462 -6.382 1.00 -0.50 O ATOM 473 CB HIS A 35 -7.305 0.750 -3.567 1.00 -0.10 C ATOM 474 CG HIS A 35 -8.665 1.083 -4.124 1.00 0.06 C ATOM 475 ND1 HIS A 35 -8.994 2.199 -4.701 1.00 -0.06 N ATOM 476 CD2 HIS A 35 -9.758 0.314 -4.141 1.00 -0.04 C ATOM 477 CE1 HIS A 35 -10.234 2.200 -5.086 1.00 0.11 C ATOM 478 NE2 HIS A 35 -10.674 1.031 -4.726 1.00 -0.06 N ATOM 0 H HIS A 35 -5.692 2.733 -3.880 1.00 -0.46 H new ATOM 0 HA HIS A 35 -5.484 -0.010 -4.434 1.00 0.04 H new ATOM 0 HB2 HIS A 35 -7.332 -0.251 -3.136 1.00 -0.10 H new ATOM 0 HB3 HIS A 35 -7.073 1.440 -2.756 1.00 -0.10 H new ATOM 0 HD1 HIS A 35 -8.354 2.982 -4.836 1.00 -0.06 H new ATOM 0 HD2 HIS A 35 -9.860 -0.688 -3.752 1.00 -0.04 H new ATOM 0 HE1 HIS A 35 -10.774 2.989 -5.589 1.00 0.11 H new ATOM 487 N ASN A 36 -6.928 1.754 -6.797 1.00 -0.46 N ATOM 488 CA ASN A 36 -7.563 1.657 -8.111 1.00 0.04 C ATOM 489 C ASN A 36 -6.532 1.356 -9.175 1.00 0.62 C ATOM 490 O ASN A 36 -6.681 0.371 -9.881 1.00 -0.50 O ATOM 491 CB ASN A 36 -8.325 2.972 -8.427 1.00 -0.09 C ATOM 492 CG ASN A 36 -9.081 2.846 -9.728 1.00 0.68 C ATOM 493 OD1 ASN A 36 -10.264 2.549 -9.696 1.00 -0.47 O ATOM 494 ND2 ASN A 36 -8.432 3.055 -10.891 1.00 -0.87 N ATOM 0 H ASN A 36 -6.637 2.695 -6.532 1.00 -0.46 H new ATOM 0 HA ASN A 36 -8.281 0.837 -8.101 1.00 0.04 H new ATOM 0 HB2 ASN A 36 -9.018 3.201 -7.618 1.00 -0.09 H new ATOM 0 HB3 ASN A 36 -7.621 3.802 -8.488 1.00 -0.09 H new ATOM 0 HD21 ASN A 36 -8.931 2.966 -11.776 1.00 -0.87 H new ATOM 0 HD22 ASN A 36 -7.442 3.302 -10.886 1.00 -0.87 H new ATOM 501 N GLN A 37 -5.482 2.195 -9.318 1.00 -0.46 N ATOM 502 CA GLN A 37 -4.507 1.965 -10.384 1.00 0.04 C ATOM 503 C GLN A 37 -3.870 0.600 -10.239 1.00 0.62 C ATOM 504 O GLN A 37 -3.633 -0.040 -11.252 1.00 -0.50 O ATOM 505 CB GLN A 37 -3.432 3.088 -10.465 1.00 -0.10 C ATOM 506 CG GLN A 37 -2.424 3.066 -9.284 1.00 -0.10 C ATOM 507 CD GLN A 37 -1.473 4.241 -9.274 1.00 0.68 C ATOM 508 OE1 GLN A 37 -1.535 5.113 -10.125 1.00 -0.47 O ATOM 509 NE2 GLN A 37 -0.559 4.290 -8.286 1.00 -0.87 N ATOM 0 H GLN A 37 -5.299 3.006 -8.728 1.00 -0.46 H new ATOM 0 HA GLN A 37 -5.051 1.994 -11.328 1.00 0.04 H new ATOM 0 HB2 GLN A 37 -2.884 2.989 -11.402 1.00 -0.10 H new ATOM 0 HB3 GLN A 37 -3.931 4.057 -10.489 1.00 -0.10 H new ATOM 0 HG2 GLN A 37 -2.978 3.051 -8.345 1.00 -0.10 H new ATOM 0 HG3 GLN A 37 -1.846 2.143 -9.328 1.00 -0.10 H new ATOM 0 HE21 GLN A 37 -0.525 3.550 -7.585 1.00 -0.87 H new ATOM 0 HE22 GLN A 37 0.100 5.067 -8.239 1.00 -0.87 H new ATOM 518 N ALA A 38 -3.589 0.128 -9.001 1.00 -0.46 N ATOM 519 CA ALA A 38 -2.981 -1.193 -8.846 1.00 0.04 C ATOM 520 C ALA A 38 -4.051 -2.265 -8.943 1.00 0.62 C ATOM 521 O ALA A 38 -4.586 -2.648 -7.913 1.00 -0.50 O ATOM 522 CB ALA A 38 -2.200 -1.292 -7.507 1.00 -0.10 C ATOM 0 H ALA A 38 -3.769 0.629 -8.131 1.00 -0.46 H new ATOM 0 HA ALA A 38 -2.262 -1.348 -9.651 1.00 0.04 H new ATOM 0 HB1 ALA A 38 -1.758 -2.284 -7.416 1.00 -0.10 H new ATOM 0 HB2 ALA A 38 -1.411 -0.540 -7.489 1.00 -0.10 H new ATOM 0 HB3 ALA A 38 -2.882 -1.122 -6.674 1.00 -0.10 H new ATOM 528 N ARG A 39 -4.387 -2.770 -10.155 1.00 -0.46 N ATOM 529 CA ARG A 39 -5.428 -3.794 -10.269 1.00 0.04 C ATOM 530 C ARG A 39 -5.208 -4.722 -11.452 1.00 0.62 C ATOM 531 O ARG A 39 -6.057 -4.831 -12.322 1.00 -0.50 O ATOM 532 CB ARG A 39 -6.805 -3.076 -10.310 1.00 -0.08 C ATOM 533 CG ARG A 39 -8.005 -4.018 -10.000 1.00 -0.10 C ATOM 534 CD ARG A 39 -8.178 -4.307 -8.480 1.00 -0.23 C ATOM 535 NE ARG A 39 -8.417 -3.056 -7.747 1.00 -0.32 N ATOM 536 CZ ARG A 39 -9.584 -2.453 -7.659 1.00 0.76 C ATOM 537 NH1 ARG A 39 -10.677 -2.885 -8.239 1.00 -0.62 N ATOM 538 NH2 ARG A 39 -9.666 -1.353 -6.950 1.00 -0.62 N ATOM 0 H ARG A 39 -3.961 -2.489 -11.038 1.00 -0.46 H new ATOM 0 HA ARG A 39 -5.391 -4.452 -9.401 1.00 0.04 H new ATOM 0 HB2 ARG A 39 -6.801 -2.257 -9.591 1.00 -0.08 H new ATOM 0 HB3 ARG A 39 -6.946 -2.633 -11.296 1.00 -0.08 H new ATOM 0 HG2 ARG A 39 -8.921 -3.569 -10.385 1.00 -0.10 H new ATOM 0 HG3 ARG A 39 -7.865 -4.961 -10.529 1.00 -0.10 H new ATOM 0 HD2 ARG A 39 -9.012 -4.992 -8.326 1.00 -0.23 H new ATOM 0 HD3 ARG A 39 -7.286 -4.799 -8.093 1.00 -0.23 H new ATOM 0 HE ARG A 39 -7.623 -2.625 -7.273 1.00 -0.32 H new ATOM 0 HH11 ARG A 39 -10.654 -3.737 -8.799 1.00 -0.62 H new ATOM 0 HH12 ARG A 39 -11.550 -2.369 -8.130 1.00 -0.62 H new ATOM 0 HH21 ARG A 39 -8.838 -0.984 -6.483 1.00 -0.62 H new ATOM 0 HH22 ARG A 39 -10.558 -0.866 -6.866 1.00 -0.62 H new ATOM 552 N SER A 40 -4.060 -5.433 -11.474 1.00 -0.46 N ATOM 553 CA SER A 40 -3.782 -6.422 -12.521 1.00 0.04 C ATOM 554 C SER A 40 -2.566 -7.246 -12.149 1.00 0.62 C ATOM 555 O SER A 40 -1.898 -6.891 -11.190 1.00 -0.50 O ATOM 556 CB SER A 40 -3.539 -5.779 -13.907 1.00 0.02 C ATOM 557 OG SER A 40 -3.221 -6.823 -14.846 1.00 -0.55 O ATOM 0 H SER A 40 -3.319 -5.337 -10.780 1.00 -0.46 H new ATOM 0 HA SER A 40 -4.669 -7.051 -12.594 1.00 0.04 H new ATOM 0 HB2 SER A 40 -4.425 -5.234 -14.232 1.00 0.02 H new ATOM 0 HB3 SER A 40 -2.724 -5.058 -13.852 1.00 0.02 H new ATOM 0 HG SER A 40 -3.066 -6.431 -15.731 1.00 -0.55 H new ATOM 563 N GLN A 41 -2.256 -8.350 -12.866 1.00 -0.46 N ATOM 564 CA GLN A 41 -1.096 -9.154 -12.480 1.00 0.04 C ATOM 565 C GLN A 41 0.167 -8.335 -12.615 1.00 0.62 C ATOM 566 O GLN A 41 0.957 -8.299 -11.685 1.00 -0.50 O ATOM 567 CB GLN A 41 -1.012 -10.533 -13.195 1.00 -0.10 C ATOM 568 CG GLN A 41 -0.603 -10.471 -14.692 1.00 -0.10 C ATOM 569 CD GLN A 41 -0.554 -11.836 -15.338 1.00 0.68 C ATOM 570 OE1 GLN A 41 -0.773 -12.838 -14.678 1.00 -0.47 O ATOM 571 NE2 GLN A 41 -0.259 -11.908 -16.651 1.00 -0.87 N ATOM 0 H GLN A 41 -2.773 -8.686 -13.679 1.00 -0.46 H new ATOM 0 HA GLN A 41 -1.221 -9.419 -11.430 1.00 0.04 H new ATOM 0 HB2 GLN A 41 -0.295 -11.158 -12.663 1.00 -0.10 H new ATOM 0 HB3 GLN A 41 -1.982 -11.025 -13.119 1.00 -0.10 H new ATOM 0 HG2 GLN A 41 -1.311 -9.843 -15.232 1.00 -0.10 H new ATOM 0 HG3 GLN A 41 0.375 -9.997 -14.778 1.00 -0.10 H new ATOM 0 HE21 GLN A 41 -0.080 -11.055 -17.181 1.00 -0.87 H new ATOM 0 HE22 GLN A 41 -0.215 -12.815 -17.115 1.00 -0.87 H new ATOM 580 N SER A 42 0.374 -7.638 -13.754 1.00 -0.46 N ATOM 581 CA SER A 42 1.574 -6.813 -13.889 1.00 0.04 C ATOM 582 C SER A 42 1.702 -5.887 -12.702 1.00 0.62 C ATOM 583 O SER A 42 2.799 -5.675 -12.207 1.00 -0.50 O ATOM 584 CB SER A 42 1.494 -5.961 -15.181 1.00 0.02 C ATOM 585 OG SER A 42 1.301 -6.852 -16.293 1.00 -0.55 O ATOM 0 H SER A 42 -0.252 -7.633 -14.559 1.00 -0.46 H new ATOM 0 HA SER A 42 2.441 -7.472 -13.938 1.00 0.04 H new ATOM 0 HB2 SER A 42 0.671 -5.249 -15.117 1.00 0.02 H new ATOM 0 HB3 SER A 42 2.408 -5.381 -15.312 1.00 0.02 H new ATOM 0 HG SER A 42 1.246 -6.333 -17.122 1.00 -0.55 H new ATOM 591 N ASP A 43 0.567 -5.324 -12.234 1.00 -0.46 N ATOM 592 CA ASP A 43 0.628 -4.388 -11.121 1.00 0.04 C ATOM 593 C ASP A 43 1.020 -5.124 -9.862 1.00 0.62 C ATOM 594 O ASP A 43 1.881 -4.632 -9.151 1.00 -0.50 O ATOM 595 CB ASP A 43 -0.717 -3.659 -10.869 1.00 -0.40 C ATOM 596 CG ASP A 43 -1.431 -3.246 -12.129 1.00 0.71 C ATOM 597 OD1 ASP A 43 -0.898 -3.489 -13.244 1.00 -0.72 O ATOM 598 OD2 ASP A 43 -2.555 -2.695 -12.013 1.00 -0.72 O ATOM 0 H ASP A 43 -0.367 -5.501 -12.603 1.00 -0.46 H new ATOM 0 HA ASP A 43 1.370 -3.634 -11.385 1.00 0.04 H new ATOM 0 HB2 ASP A 43 -1.370 -4.312 -10.290 1.00 -0.40 H new ATOM 0 HB3 ASP A 43 -0.531 -2.774 -10.261 1.00 -0.40 H new ATOM 603 N ARG A 44 0.414 -6.297 -9.555 1.00 -0.46 N ATOM 604 CA ARG A 44 0.838 -7.024 -8.357 1.00 0.04 C ATOM 605 C ARG A 44 2.352 -7.099 -8.394 1.00 0.62 C ATOM 606 O ARG A 44 2.984 -6.733 -7.417 1.00 -0.50 O ATOM 607 CB ARG A 44 0.244 -8.458 -8.202 1.00 -0.08 C ATOM 608 CG ARG A 44 -1.066 -8.538 -7.363 1.00 -0.10 C ATOM 609 CD ARG A 44 -2.330 -7.954 -8.055 1.00 -0.23 C ATOM 610 NE ARG A 44 -2.831 -8.826 -9.122 1.00 -0.32 N ATOM 611 CZ ARG A 44 -3.938 -8.599 -9.797 1.00 0.76 C ATOM 612 NH1 ARG A 44 -4.699 -7.555 -9.579 1.00 -0.62 N ATOM 613 NH2 ARG A 44 -4.303 -9.448 -10.726 1.00 -0.62 N ATOM 0 H ARG A 44 -0.332 -6.734 -10.096 1.00 -0.46 H new ATOM 0 HA ARG A 44 0.457 -6.476 -7.495 1.00 0.04 H new ATOM 0 HB2 ARG A 44 0.048 -8.863 -9.195 1.00 -0.08 H new ATOM 0 HB3 ARG A 44 0.995 -9.098 -7.739 1.00 -0.08 H new ATOM 0 HG2 ARG A 44 -1.257 -9.582 -7.115 1.00 -0.10 H new ATOM 0 HG3 ARG A 44 -0.909 -8.010 -6.422 1.00 -0.10 H new ATOM 0 HD2 ARG A 44 -3.113 -7.806 -7.312 1.00 -0.23 H new ATOM 0 HD3 ARG A 44 -2.095 -6.974 -8.470 1.00 -0.23 H new ATOM 0 HE ARG A 44 -2.289 -9.658 -9.355 1.00 -0.32 H new ATOM 0 HH11 ARG A 44 -4.442 -6.877 -8.861 1.00 -0.62 H new ATOM 0 HH12 ARG A 44 -5.549 -7.420 -10.127 1.00 -0.62 H new ATOM 0 HH21 ARG A 44 -3.732 -10.271 -10.918 1.00 -0.62 H new ATOM 0 HH22 ARG A 44 -5.158 -9.286 -11.258 1.00 -0.62 H new ATOM 627 N GLN A 45 2.963 -7.546 -9.512 1.00 -0.46 N ATOM 628 CA GLN A 45 4.424 -7.563 -9.580 1.00 0.04 C ATOM 629 C GLN A 45 4.973 -6.174 -9.308 1.00 0.62 C ATOM 630 O GLN A 45 5.654 -5.992 -8.311 1.00 -0.50 O ATOM 631 CB GLN A 45 4.980 -8.109 -10.929 1.00 -0.10 C ATOM 632 CG GLN A 45 5.014 -9.663 -11.038 1.00 -0.10 C ATOM 633 CD GLN A 45 3.677 -10.365 -11.020 1.00 0.68 C ATOM 634 OE1 GLN A 45 2.698 -9.813 -10.551 1.00 -0.47 O ATOM 635 NE2 GLN A 45 3.597 -11.617 -11.513 1.00 -0.87 N ATOM 0 H GLN A 45 2.483 -7.886 -10.345 1.00 -0.46 H new ATOM 0 HA GLN A 45 4.761 -8.256 -8.810 1.00 0.04 H new ATOM 0 HB2 GLN A 45 4.372 -7.714 -11.743 1.00 -0.10 H new ATOM 0 HB3 GLN A 45 5.991 -7.726 -11.071 1.00 -0.10 H new ATOM 0 HG2 GLN A 45 5.528 -9.930 -11.961 1.00 -0.10 H new ATOM 0 HG3 GLN A 45 5.615 -10.051 -10.215 1.00 -0.10 H new ATOM 0 HE21 GLN A 45 4.426 -12.066 -11.903 1.00 -0.87 H new ATOM 0 HE22 GLN A 45 2.707 -12.116 -11.497 1.00 -0.87 H new ATOM 644 N SER A 46 4.709 -5.170 -10.172 1.00 -0.46 N ATOM 645 CA SER A 46 5.357 -3.867 -9.995 1.00 0.04 C ATOM 646 C SER A 46 5.007 -3.238 -8.663 1.00 0.62 C ATOM 647 O SER A 46 5.895 -2.966 -7.867 1.00 -0.50 O ATOM 648 CB SER A 46 4.990 -2.884 -11.140 1.00 0.02 C ATOM 649 OG SER A 46 5.636 -3.243 -12.373 1.00 -0.55 O ATOM 0 H SER A 46 4.075 -5.237 -10.968 1.00 -0.46 H new ATOM 0 HA SER A 46 6.430 -4.055 -10.021 1.00 0.04 H new ATOM 0 HB2 SER A 46 3.909 -2.878 -11.283 1.00 0.02 H new ATOM 0 HB3 SER A 46 5.280 -1.872 -10.858 1.00 0.02 H new ATOM 0 HG SER A 46 5.383 -2.606 -13.073 1.00 -0.55 H new ATOM 655 N ALA A 47 3.707 -2.991 -8.401 1.00 -0.46 N ATOM 656 CA ALA A 47 3.318 -2.337 -7.156 1.00 0.04 C ATOM 657 C ALA A 47 3.840 -3.132 -5.980 1.00 0.62 C ATOM 658 O ALA A 47 4.481 -2.558 -5.111 1.00 -0.50 O ATOM 659 CB ALA A 47 1.775 -2.176 -7.047 1.00 -0.10 C ATOM 0 H ALA A 47 2.935 -3.231 -9.023 1.00 -0.46 H new ATOM 0 HA ALA A 47 3.755 -1.338 -7.150 1.00 0.04 H new ATOM 0 HB1 ALA A 47 1.526 -1.685 -6.106 1.00 -0.10 H new ATOM 0 HB2 ALA A 47 1.413 -1.572 -7.879 1.00 -0.10 H new ATOM 0 HB3 ALA A 47 1.303 -3.158 -7.079 1.00 -0.10 H new ATOM 665 N CYS A 48 3.587 -4.463 -5.919 1.00 -0.46 N ATOM 666 CA CYS A 48 4.026 -5.208 -4.743 1.00 0.04 C ATOM 667 C CYS A 48 5.539 -5.305 -4.669 1.00 0.62 C ATOM 668 O CYS A 48 6.043 -5.468 -3.570 1.00 -0.50 O ATOM 669 CB CYS A 48 3.371 -6.600 -4.539 1.00 -0.10 C ATOM 670 SG CYS A 48 3.672 -7.130 -2.816 1.00 0.82 S ATOM 0 H CYS A 48 3.107 -5.007 -6.635 1.00 -0.46 H new ATOM 0 HA CYS A 48 3.661 -4.608 -3.910 1.00 0.04 H new ATOM 0 HB2 CYS A 48 2.301 -6.549 -4.739 1.00 -0.10 H new ATOM 0 HB3 CYS A 48 3.791 -7.323 -5.238 1.00 -0.10 H new ATOM 675 N ASN A 49 6.302 -5.218 -5.783 1.00 -0.46 N ATOM 676 CA ASN A 49 7.764 -5.234 -5.662 1.00 0.04 C ATOM 677 C ASN A 49 8.195 -3.965 -4.956 1.00 0.62 C ATOM 678 O ASN A 49 8.933 -4.052 -3.987 1.00 -0.50 O ATOM 679 CB ASN A 49 8.515 -5.386 -7.017 1.00 -0.09 C ATOM 680 CG ASN A 49 8.671 -6.832 -7.439 1.00 0.68 C ATOM 681 OD1 ASN A 49 9.789 -7.271 -7.650 1.00 -0.47 O ATOM 682 ND2 ASN A 49 7.587 -7.620 -7.575 1.00 -0.87 N ATOM 0 H ASN A 49 5.942 -5.139 -6.734 1.00 -0.46 H new ATOM 0 HA ASN A 49 8.035 -6.120 -5.088 1.00 0.04 H new ATOM 0 HB2 ASN A 49 7.973 -4.842 -7.791 1.00 -0.09 H new ATOM 0 HB3 ASN A 49 9.500 -4.927 -6.935 1.00 -0.09 H new ATOM 0 HD21 ASN A 49 7.697 -8.594 -7.857 1.00 -0.87 H new ATOM 0 HD22 ASN A 49 6.656 -7.243 -7.396 1.00 -0.87 H new ATOM 689 N CYS A 50 7.740 -2.771 -5.406 1.00 -0.46 N ATOM 690 CA CYS A 50 8.045 -1.551 -4.648 1.00 0.04 C ATOM 691 C CYS A 50 7.741 -1.804 -3.184 1.00 0.62 C ATOM 692 O CYS A 50 8.609 -1.627 -2.343 1.00 -0.50 O ATOM 693 CB CYS A 50 7.241 -0.310 -5.145 1.00 -0.10 C ATOM 694 SG CYS A 50 8.232 0.765 -6.236 1.00 0.82 S ATOM 0 H CYS A 50 7.186 -2.635 -6.252 1.00 -0.46 H new ATOM 0 HA CYS A 50 9.100 -1.320 -4.797 1.00 0.04 H new ATOM 0 HB2 CYS A 50 6.352 -0.646 -5.679 1.00 -0.10 H new ATOM 0 HB3 CYS A 50 6.898 0.266 -4.286 1.00 -0.10 H new ATOM 699 N LEU A 51 6.505 -2.237 -2.867 1.00 -0.46 N ATOM 700 CA LEU A 51 6.155 -2.501 -1.467 1.00 0.04 C ATOM 701 C LEU A 51 7.179 -3.366 -0.774 1.00 0.62 C ATOM 702 O LEU A 51 7.644 -2.980 0.288 1.00 -0.50 O ATOM 703 CB LEU A 51 4.752 -3.159 -1.433 1.00 -0.06 C ATOM 704 CG LEU A 51 4.177 -3.676 -0.087 1.00 -0.01 C ATOM 705 CD1 LEU A 51 2.692 -4.056 -0.327 1.00 -0.11 C ATOM 706 CD2 LEU A 51 4.953 -4.905 0.469 1.00 -0.11 C ATOM 0 H LEU A 51 5.757 -2.406 -3.540 1.00 -0.46 H new ATOM 0 HA LEU A 51 6.141 -1.558 -0.921 1.00 0.04 H new ATOM 0 HB2 LEU A 51 4.043 -2.434 -1.833 1.00 -0.06 H new ATOM 0 HB3 LEU A 51 4.771 -4.002 -2.124 1.00 -0.06 H new ATOM 0 HG LEU A 51 4.276 -2.888 0.659 1.00 -0.01 H new ATOM 0 HD11 LEU A 51 2.256 -4.424 0.602 1.00 -0.11 H new ATOM 0 HD12 LEU A 51 2.141 -3.177 -0.663 1.00 -0.11 H new ATOM 0 HD13 LEU A 51 2.634 -4.834 -1.089 1.00 -0.11 H new ATOM 0 HD21 LEU A 51 4.506 -5.222 1.411 1.00 -0.11 H new ATOM 0 HD22 LEU A 51 4.903 -5.723 -0.250 1.00 -0.11 H new ATOM 0 HD23 LEU A 51 5.995 -4.632 0.636 1.00 -0.11 H new ATOM 718 N LYS A 52 7.542 -4.539 -1.344 1.00 -0.46 N ATOM 719 CA LYS A 52 8.518 -5.402 -0.673 1.00 0.04 C ATOM 720 C LYS A 52 9.722 -4.561 -0.300 1.00 0.62 C ATOM 721 O LYS A 52 10.179 -4.628 0.831 1.00 -0.50 O ATOM 722 CB LYS A 52 8.988 -6.593 -1.557 1.00 -0.10 C ATOM 723 CG LYS A 52 7.913 -7.693 -1.810 1.00 -0.16 C ATOM 724 CD LYS A 52 7.673 -8.641 -0.599 1.00 -0.18 C ATOM 725 CE LYS A 52 6.729 -9.814 -0.993 1.00 -0.04 C ATOM 726 NZ LYS A 52 6.553 -10.791 0.108 1.00 -0.14 N ATOM 0 H LYS A 52 7.185 -4.892 -2.232 1.00 -0.46 H new ATOM 0 HA LYS A 52 8.033 -5.828 0.205 1.00 0.04 H new ATOM 0 HB2 LYS A 52 9.319 -6.203 -2.519 1.00 -0.10 H new ATOM 0 HB3 LYS A 52 9.855 -7.056 -1.085 1.00 -0.10 H new ATOM 0 HG2 LYS A 52 6.971 -7.211 -2.072 1.00 -0.16 H new ATOM 0 HG3 LYS A 52 8.216 -8.290 -2.670 1.00 -0.16 H new ATOM 0 HD2 LYS A 52 8.626 -9.037 -0.248 1.00 -0.18 H new ATOM 0 HD3 LYS A 52 7.237 -8.079 0.227 1.00 -0.18 H new ATOM 0 HE2 LYS A 52 5.756 -9.414 -1.279 1.00 -0.04 H new ATOM 0 HE3 LYS A 52 7.133 -10.324 -1.867 1.00 -0.04 H new ATOM 0 HZ1 LYS A 52 6.121 -11.660 -0.265 1.00 -0.14 H new ATOM 0 HZ2 LYS A 52 7.479 -11.016 0.524 1.00 -0.14 H new ATOM 0 HZ3 LYS A 52 5.935 -10.383 0.839 1.00 -0.14 H new ATOM 740 N GLY A 53 10.237 -3.750 -1.251 1.00 -0.46 N ATOM 741 CA GLY A 53 11.394 -2.914 -0.946 1.00 0.04 C ATOM 742 C GLY A 53 11.102 -1.875 0.113 1.00 0.62 C ATOM 743 O GLY A 53 11.917 -1.712 1.007 1.00 -0.50 O ATOM 0 H GLY A 53 9.877 -3.665 -2.202 1.00 -0.46 H new ATOM 0 HA2 GLY A 53 12.216 -3.547 -0.611 1.00 0.04 H new ATOM 0 HA3 GLY A 53 11.726 -2.415 -1.856 1.00 0.04 H new ATOM 747 N ILE A 54 9.968 -1.141 0.024 1.00 -0.46 N ATOM 748 CA ILE A 54 9.722 -0.051 0.971 1.00 0.04 C ATOM 749 C ILE A 54 9.126 -0.616 2.243 1.00 0.62 C ATOM 750 O ILE A 54 9.815 -0.683 3.248 1.00 -0.50 O ATOM 751 CB ILE A 54 8.878 1.125 0.376 1.00 -0.01 C ATOM 752 CG1 ILE A 54 9.682 1.960 -0.671 1.00 -0.05 C ATOM 753 CG2 ILE A 54 8.393 2.085 1.506 1.00 -0.09 C ATOM 754 CD1 ILE A 54 9.983 1.226 -2.004 1.00 -0.09 C ATOM 0 H ILE A 54 9.237 -1.283 -0.673 1.00 -0.46 H new ATOM 0 HA ILE A 54 10.682 0.408 1.205 1.00 0.04 H new ATOM 0 HB ILE A 54 8.024 0.667 -0.123 1.00 -0.01 H new ATOM 0 HG12 ILE A 54 9.125 2.870 -0.893 1.00 -0.05 H new ATOM 0 HG13 ILE A 54 10.626 2.266 -0.221 1.00 -0.05 H new ATOM 0 HG21 ILE A 54 7.808 2.895 1.069 1.00 -0.09 H new ATOM 0 HG22 ILE A 54 7.775 1.532 2.213 1.00 -0.09 H new ATOM 0 HG23 ILE A 54 9.256 2.500 2.026 1.00 -0.09 H new ATOM 0 HD11 ILE A 54 10.544 1.887 -2.665 1.00 -0.09 H new ATOM 0 HD12 ILE A 54 10.571 0.331 -1.802 1.00 -0.09 H new ATOM 0 HD13 ILE A 54 9.046 0.944 -2.484 1.00 -0.09 H new ATOM 766 N ALA A 55 7.837 -1.017 2.257 1.00 -0.46 N ATOM 767 CA ALA A 55 7.205 -1.341 3.535 1.00 0.04 C ATOM 768 C ALA A 55 7.806 -2.563 4.181 1.00 0.62 C ATOM 769 O ALA A 55 8.202 -2.476 5.331 1.00 -0.50 O ATOM 770 CB ALA A 55 5.685 -1.582 3.392 1.00 -0.10 C ATOM 0 H ALA A 55 7.243 -1.118 1.434 1.00 -0.46 H new ATOM 0 HA ALA A 55 7.383 -0.469 4.165 1.00 0.04 H new ATOM 0 HB1 ALA A 55 5.261 -1.819 4.368 1.00 -0.10 H new ATOM 0 HB2 ALA A 55 5.210 -0.684 2.998 1.00 -0.10 H new ATOM 0 HB3 ALA A 55 5.511 -2.413 2.709 1.00 -0.10 H new ATOM 776 N ARG A 56 7.870 -3.721 3.489 1.00 -0.46 N ATOM 777 CA ARG A 56 8.347 -4.922 4.179 1.00 0.04 C ATOM 778 C ARG A 56 9.807 -4.717 4.530 1.00 0.62 C ATOM 779 O ARG A 56 10.234 -5.124 5.599 1.00 -0.50 O ATOM 780 CB ARG A 56 8.096 -6.253 3.405 1.00 -0.08 C ATOM 781 CG ARG A 56 7.498 -7.390 4.289 1.00 -0.10 C ATOM 782 CD ARG A 56 8.391 -7.826 5.483 1.00 -0.23 C ATOM 783 NE ARG A 56 7.616 -8.736 6.339 1.00 -0.32 N ATOM 784 CZ ARG A 56 7.476 -10.029 6.140 1.00 0.76 C ATOM 785 NH1 ARG A 56 8.013 -10.667 5.130 1.00 -0.62 N ATOM 786 NH2 ARG A 56 6.759 -10.722 6.992 1.00 -0.62 N ATOM 0 H ARG A 56 7.612 -3.842 2.510 1.00 -0.46 H new ATOM 0 HA ARG A 56 7.758 -5.048 5.088 1.00 0.04 H new ATOM 0 HB2 ARG A 56 7.419 -6.057 2.574 1.00 -0.08 H new ATOM 0 HB3 ARG A 56 9.037 -6.596 2.975 1.00 -0.08 H new ATOM 0 HG2 ARG A 56 6.534 -7.061 4.676 1.00 -0.10 H new ATOM 0 HG3 ARG A 56 7.309 -8.259 3.659 1.00 -0.10 H new ATOM 0 HD2 ARG A 56 9.291 -8.322 5.121 1.00 -0.23 H new ATOM 0 HD3 ARG A 56 8.714 -6.954 6.052 1.00 -0.23 H new ATOM 0 HE ARG A 56 7.150 -8.333 7.152 1.00 -0.32 H new ATOM 0 HH11 ARG A 56 8.574 -10.159 4.446 1.00 -0.62 H new ATOM 0 HH12 ARG A 56 7.870 -11.672 5.027 1.00 -0.62 H new ATOM 0 HH21 ARG A 56 6.324 -10.257 7.789 1.00 -0.62 H new ATOM 0 HH22 ARG A 56 6.637 -11.726 6.858 1.00 -0.62 H new ATOM 800 N GLY A 57 10.600 -4.061 3.650 1.00 -0.46 N ATOM 801 CA GLY A 57 11.964 -3.700 4.035 1.00 0.04 C ATOM 802 C GLY A 57 11.965 -2.892 5.315 1.00 0.62 C ATOM 803 O GLY A 57 12.769 -3.161 6.195 1.00 -0.50 O ATOM 0 H GLY A 57 10.324 -3.785 2.708 1.00 -0.46 H new ATOM 0 HA2 GLY A 57 12.560 -4.603 4.169 1.00 0.04 H new ATOM 0 HA3 GLY A 57 12.432 -3.125 3.236 1.00 0.04 H new ATOM 807 N ILE A 58 11.067 -1.890 5.448 1.00 -0.46 N ATOM 808 CA ILE A 58 10.966 -1.153 6.712 1.00 0.04 C ATOM 809 C ILE A 58 10.445 -2.095 7.780 1.00 0.62 C ATOM 810 O ILE A 58 9.725 -3.025 7.456 1.00 -0.50 O ATOM 811 CB ILE A 58 10.094 0.138 6.566 1.00 -0.01 C ATOM 812 CG1 ILE A 58 10.846 1.175 5.674 1.00 -0.05 C ATOM 813 CG2 ILE A 58 9.695 0.759 7.938 1.00 -0.09 C ATOM 814 CD1 ILE A 58 9.954 2.356 5.209 1.00 -0.09 C ATOM 0 H ILE A 58 10.424 -1.586 4.717 1.00 -0.46 H new ATOM 0 HA ILE A 58 11.953 -0.799 7.010 1.00 0.04 H new ATOM 0 HB ILE A 58 9.158 -0.146 6.085 1.00 -0.01 H new ATOM 0 HG12 ILE A 58 11.697 1.570 6.229 1.00 -0.05 H new ATOM 0 HG13 ILE A 58 11.246 0.665 4.797 1.00 -0.05 H new ATOM 0 HG21 ILE A 58 9.091 1.651 7.772 1.00 -0.09 H new ATOM 0 HG22 ILE A 58 9.119 0.033 8.512 1.00 -0.09 H new ATOM 0 HG23 ILE A 58 10.595 1.028 8.491 1.00 -0.09 H new ATOM 0 HD11 ILE A 58 10.543 3.036 4.594 1.00 -0.09 H new ATOM 0 HD12 ILE A 58 9.117 1.972 4.626 1.00 -0.09 H new ATOM 0 HD13 ILE A 58 9.575 2.891 6.080 1.00 -0.09 H new ATOM 826 N HIS A 59 10.811 -1.884 9.066 1.00 -0.46 N ATOM 827 CA HIS A 59 10.312 -2.727 10.154 1.00 0.04 C ATOM 828 C HIS A 59 9.790 -1.835 11.261 1.00 0.62 C ATOM 829 O HIS A 59 9.850 -0.628 11.091 1.00 -0.50 O ATOM 830 CB HIS A 59 11.454 -3.691 10.569 1.00 -0.10 C ATOM 831 CG HIS A 59 11.635 -4.723 9.485 1.00 0.06 C ATOM 832 ND1 HIS A 59 12.259 -4.558 8.355 1.00 -0.06 N ATOM 833 CD2 HIS A 59 11.182 -5.981 9.485 1.00 -0.04 C ATOM 834 CE1 HIS A 59 12.234 -5.635 7.628 1.00 0.11 C ATOM 835 NE2 HIS A 59 11.566 -6.487 8.348 1.00 -0.06 N ATOM 0 H HIS A 59 11.444 -1.142 9.364 1.00 -0.46 H new ATOM 0 HA HIS A 59 9.469 -3.352 9.860 1.00 0.04 H new ATOM 0 HB2 HIS A 59 12.380 -3.136 10.721 1.00 -0.10 H new ATOM 0 HB3 HIS A 59 11.214 -4.176 11.515 1.00 -0.10 H new ATOM 0 HD1 HIS A 59 12.713 -3.689 8.074 1.00 -0.06 H new ATOM 0 HD2 HIS A 59 10.617 -6.473 10.263 1.00 -0.04 H new ATOM 0 HE1 HIS A 59 12.668 -5.787 6.651 1.00 0.11 H new ATOM 844 N ASN A 60 9.246 -2.387 12.373 1.00 -0.46 N ATOM 845 CA ASN A 60 8.556 -1.540 13.351 1.00 0.04 C ATOM 846 C ASN A 60 7.464 -0.814 12.597 1.00 0.62 C ATOM 847 O ASN A 60 7.438 0.406 12.582 1.00 -0.50 O ATOM 848 CB ASN A 60 9.543 -0.612 14.112 1.00 -0.09 C ATOM 849 CG ASN A 60 8.835 0.209 15.165 1.00 0.68 C ATOM 850 OD1 ASN A 60 8.699 1.410 15.001 1.00 -0.47 O ATOM 851 ND2 ASN A 60 8.367 -0.408 16.269 1.00 -0.87 N ATOM 0 H ASN A 60 9.273 -3.381 12.602 1.00 -0.46 H new ATOM 0 HA ASN A 60 8.103 -2.129 14.148 1.00 0.04 H new ATOM 0 HB2 ASN A 60 10.321 -1.214 14.581 1.00 -0.09 H new ATOM 0 HB3 ASN A 60 10.038 0.052 13.404 1.00 -0.09 H new ATOM 0 HD21 ASN A 60 7.887 0.131 16.990 1.00 -0.87 H new ATOM 0 HD22 ASN A 60 8.493 -1.414 16.383 1.00 -0.87 H new ATOM 858 N LEU A 61 6.573 -1.601 11.945 1.00 -0.46 N ATOM 859 CA LEU A 61 5.561 -1.045 11.045 1.00 0.04 C ATOM 860 C LEU A 61 4.200 -1.537 11.491 1.00 0.62 C ATOM 861 O LEU A 61 4.049 -2.739 11.640 1.00 -0.50 O ATOM 862 CB LEU A 61 5.970 -1.493 9.612 1.00 -0.06 C ATOM 863 CG LEU A 61 5.131 -0.887 8.448 1.00 -0.01 C ATOM 864 CD1 LEU A 61 5.857 -1.110 7.093 1.00 -0.11 C ATOM 865 CD2 LEU A 61 3.698 -1.483 8.371 1.00 -0.11 C ATOM 0 H LEU A 61 6.543 -2.617 12.032 1.00 -0.46 H new ATOM 0 HA LEU A 61 5.500 0.043 11.058 1.00 0.04 H new ATOM 0 HB2 LEU A 61 7.017 -1.232 9.455 1.00 -0.06 H new ATOM 0 HB3 LEU A 61 5.901 -2.579 9.558 1.00 -0.06 H new ATOM 0 HG LEU A 61 5.033 0.179 8.651 1.00 -0.01 H new ATOM 0 HD11 LEU A 61 5.261 -0.682 6.286 1.00 -0.11 H new ATOM 0 HD12 LEU A 61 6.833 -0.626 7.119 1.00 -0.11 H new ATOM 0 HD13 LEU A 61 5.987 -2.179 6.921 1.00 -0.11 H new ATOM 0 HD21 LEU A 61 3.158 -1.025 7.542 1.00 -0.11 H new ATOM 0 HD22 LEU A 61 3.760 -2.560 8.213 1.00 -0.11 H new ATOM 0 HD23 LEU A 61 3.170 -1.283 9.303 1.00 -0.11 H new ATOM 877 N ASN A 62 3.202 -0.651 11.726 1.00 -0.46 N ATOM 878 CA ASN A 62 1.915 -1.103 12.259 1.00 0.04 C ATOM 879 C ASN A 62 1.077 -1.723 11.159 1.00 0.62 C ATOM 880 O ASN A 62 0.117 -1.116 10.711 1.00 -0.50 O ATOM 881 CB ASN A 62 1.214 0.091 12.967 1.00 -0.09 C ATOM 882 CG ASN A 62 -0.018 -0.321 13.734 1.00 0.68 C ATOM 883 OD1 ASN A 62 -0.546 -1.398 13.511 1.00 -0.47 O ATOM 884 ND2 ASN A 62 -0.515 0.532 14.653 1.00 -0.87 N ATOM 0 H ASN A 62 3.269 0.353 11.557 1.00 -0.46 H new ATOM 0 HA ASN A 62 2.062 -1.886 13.003 1.00 0.04 H new ATOM 0 HB2 ASN A 62 1.919 0.566 13.650 1.00 -0.09 H new ATOM 0 HB3 ASN A 62 0.939 0.838 12.222 1.00 -0.09 H new ATOM 0 HD21 ASN A 62 -1.351 0.283 15.181 1.00 -0.87 H new ATOM 0 HD22 ASN A 62 -0.054 1.427 14.820 1.00 -0.87 H new ATOM 891 N GLU A 63 1.432 -2.948 10.704 1.00 -0.46 N ATOM 892 CA GLU A 63 0.666 -3.587 9.634 1.00 0.04 C ATOM 893 C GLU A 63 -0.821 -3.613 9.925 1.00 0.62 C ATOM 894 O GLU A 63 -1.601 -3.456 8.997 1.00 -0.50 O ATOM 895 CB GLU A 63 1.137 -5.031 9.292 1.00 -0.18 C ATOM 896 CG GLU A 63 0.793 -6.105 10.360 1.00 -0.40 C ATOM 897 CD GLU A 63 1.594 -5.886 11.613 1.00 0.71 C ATOM 898 OE1 GLU A 63 1.132 -5.092 12.477 1.00 -0.72 O ATOM 899 OE2 GLU A 63 2.692 -6.499 11.721 1.00 -0.72 O ATOM 0 H GLU A 63 2.221 -3.491 11.055 1.00 -0.46 H new ATOM 0 HA GLU A 63 0.858 -2.959 8.764 1.00 0.04 H new ATOM 0 HB2 GLU A 63 0.690 -5.328 8.343 1.00 -0.18 H new ATOM 0 HB3 GLU A 63 2.217 -5.019 9.145 1.00 -0.18 H new ATOM 0 HG2 GLU A 63 -0.271 -6.066 10.592 1.00 -0.40 H new ATOM 0 HG3 GLU A 63 0.997 -7.099 9.962 1.00 -0.40 H new ATOM 906 N ASP A 64 -1.246 -3.829 11.190 1.00 -0.46 N ATOM 907 CA ASP A 64 -2.680 -3.913 11.469 1.00 0.04 C ATOM 908 C ASP A 64 -3.342 -2.586 11.163 1.00 0.62 C ATOM 909 O ASP A 64 -4.248 -2.541 10.345 1.00 -0.50 O ATOM 910 CB ASP A 64 -2.947 -4.354 12.932 1.00 -0.40 C ATOM 911 CG ASP A 64 -4.431 -4.408 13.179 1.00 0.71 C ATOM 912 OD1 ASP A 64 -5.041 -5.477 12.912 1.00 -0.72 O ATOM 913 OD2 ASP A 64 -4.993 -3.375 13.632 1.00 -0.72 O ATOM 0 H ASP A 64 -0.636 -3.943 12.000 1.00 -0.46 H new ATOM 0 HA ASP A 64 -3.115 -4.675 10.823 1.00 0.04 H new ATOM 0 HB2 ASP A 64 -2.502 -5.332 13.115 1.00 -0.40 H new ATOM 0 HB3 ASP A 64 -2.478 -3.655 13.625 1.00 -0.40 H new ATOM 918 N ASN A 65 -2.892 -1.476 11.788 1.00 -0.46 N ATOM 919 CA ASN A 65 -3.482 -0.177 11.465 1.00 0.04 C ATOM 920 C ASN A 65 -3.349 0.090 9.982 1.00 0.62 C ATOM 921 O ASN A 65 -4.277 0.608 9.381 1.00 -0.50 O ATOM 922 CB ASN A 65 -2.820 0.966 12.275 1.00 -0.09 C ATOM 923 CG ASN A 65 -3.396 2.298 11.870 1.00 0.68 C ATOM 924 OD1 ASN A 65 -4.359 2.746 12.473 1.00 -0.47 O ATOM 925 ND2 ASN A 65 -2.833 2.960 10.841 1.00 -0.87 N ATOM 0 H ASN A 65 -2.152 -1.458 12.490 1.00 -0.46 H new ATOM 0 HA ASN A 65 -4.537 -0.207 11.737 1.00 0.04 H new ATOM 0 HB2 ASN A 65 -2.978 0.803 13.341 1.00 -0.09 H new ATOM 0 HB3 ASN A 65 -1.743 0.962 12.108 1.00 -0.09 H new ATOM 0 HD21 ASN A 65 -3.210 3.861 10.546 1.00 -0.87 H new ATOM 0 HD22 ASN A 65 -2.029 2.561 10.356 1.00 -0.87 H new ATOM 932 N ALA A 66 -2.208 -0.269 9.355 1.00 -0.46 N ATOM 933 CA ALA A 66 -2.098 -0.087 7.909 1.00 0.04 C ATOM 934 C ALA A 66 -3.210 -0.807 7.171 1.00 0.62 C ATOM 935 O ALA A 66 -3.566 -0.344 6.100 1.00 -0.50 O ATOM 936 CB ALA A 66 -0.737 -0.576 7.366 1.00 -0.10 C ATOM 0 H ALA A 66 -1.388 -0.669 9.811 1.00 -0.46 H new ATOM 0 HA ALA A 66 -2.183 0.985 7.732 1.00 0.04 H new ATOM 0 HB1 ALA A 66 -0.699 -0.422 6.288 1.00 -0.10 H new ATOM 0 HB2 ALA A 66 0.067 -0.015 7.842 1.00 -0.10 H new ATOM 0 HB3 ALA A 66 -0.618 -1.637 7.585 1.00 -0.10 H new ATOM 942 N ARG A 67 -3.776 -1.919 7.700 1.00 -0.46 N ATOM 943 CA ARG A 67 -4.974 -2.505 7.085 1.00 0.04 C ATOM 944 C ARG A 67 -6.138 -1.544 7.234 1.00 0.62 C ATOM 945 O ARG A 67 -6.902 -1.373 6.298 1.00 -0.50 O ATOM 946 CB ARG A 67 -5.408 -3.873 7.711 1.00 -0.08 C ATOM 947 CG ARG A 67 -5.992 -4.871 6.662 1.00 -0.10 C ATOM 948 CD ARG A 67 -4.942 -5.669 5.819 1.00 -0.23 C ATOM 949 NE ARG A 67 -3.704 -4.911 5.603 1.00 -0.32 N ATOM 950 CZ ARG A 67 -2.678 -4.891 6.430 1.00 0.76 C ATOM 951 NH1 ARG A 67 -2.600 -5.602 7.529 1.00 -0.62 N ATOM 952 NH2 ARG A 67 -1.668 -4.106 6.146 1.00 -0.62 N ATOM 0 H ARG A 67 -3.430 -2.409 8.525 1.00 -0.46 H new ATOM 0 HA ARG A 67 -4.714 -2.686 6.042 1.00 0.04 H new ATOM 0 HB2 ARG A 67 -4.548 -4.331 8.199 1.00 -0.08 H new ATOM 0 HB3 ARG A 67 -6.154 -3.691 8.485 1.00 -0.08 H new ATOM 0 HG2 ARG A 67 -6.629 -5.585 7.184 1.00 -0.10 H new ATOM 0 HG3 ARG A 67 -6.632 -4.315 5.977 1.00 -0.10 H new ATOM 0 HD2 ARG A 67 -4.708 -6.605 6.327 1.00 -0.23 H new ATOM 0 HD3 ARG A 67 -5.378 -5.930 4.855 1.00 -0.23 H new ATOM 0 HE ARG A 67 -3.632 -4.358 4.749 1.00 -0.32 H new ATOM 0 HH11 ARG A 67 -3.367 -6.222 7.791 1.00 -0.62 H new ATOM 0 HH12 ARG A 67 -1.773 -5.535 8.122 1.00 -0.62 H new ATOM 0 HH21 ARG A 67 -1.690 -3.531 5.303 1.00 -0.62 H new ATOM 0 HH22 ARG A 67 -0.860 -4.069 6.767 1.00 -0.62 H new ATOM 966 N SER A 68 -6.302 -0.919 8.423 1.00 -0.46 N ATOM 967 CA SER A 68 -7.409 0.016 8.631 1.00 0.04 C ATOM 968 C SER A 68 -7.283 1.277 7.803 1.00 0.62 C ATOM 969 O SER A 68 -8.307 1.831 7.437 1.00 -0.50 O ATOM 970 CB SER A 68 -7.486 0.440 10.123 1.00 0.02 C ATOM 971 OG SER A 68 -7.429 -0.710 10.981 1.00 -0.55 O ATOM 0 H SER A 68 -5.692 -1.047 9.230 1.00 -0.46 H new ATOM 0 HA SER A 68 -8.309 -0.516 8.322 1.00 0.04 H new ATOM 0 HB2 SER A 68 -6.663 1.116 10.357 1.00 0.02 H new ATOM 0 HB3 SER A 68 -8.410 0.989 10.303 1.00 0.02 H new ATOM 0 HG SER A 68 -7.477 -0.423 11.917 1.00 -0.55 H new ATOM 977 N ILE A 69 -6.060 1.770 7.503 1.00 -0.46 N ATOM 978 CA ILE A 69 -5.935 3.019 6.741 1.00 0.04 C ATOM 979 C ILE A 69 -6.863 3.062 5.536 1.00 0.62 C ATOM 980 O ILE A 69 -7.690 3.962 5.495 1.00 -0.50 O ATOM 981 CB ILE A 69 -4.463 3.398 6.376 1.00 -0.01 C ATOM 982 CG1 ILE A 69 -3.694 3.850 7.653 1.00 -0.05 C ATOM 983 CG2 ILE A 69 -4.415 4.490 5.267 1.00 -0.09 C ATOM 984 CD1 ILE A 69 -2.183 4.103 7.418 1.00 -0.09 C ATOM 0 H ILE A 69 -5.177 1.335 7.769 1.00 -0.46 H new ATOM 0 HA ILE A 69 -6.267 3.801 7.424 1.00 0.04 H new ATOM 0 HB ILE A 69 -3.970 2.513 5.973 1.00 -0.01 H new ATOM 0 HG12 ILE A 69 -4.150 4.763 8.036 1.00 -0.05 H new ATOM 0 HG13 ILE A 69 -3.809 3.088 8.424 1.00 -0.05 H new ATOM 0 HG21 ILE A 69 -3.377 4.730 5.037 1.00 -0.09 H new ATOM 0 HG22 ILE A 69 -4.909 4.119 4.369 1.00 -0.09 H new ATOM 0 HG23 ILE A 69 -4.926 5.387 5.617 1.00 -0.09 H new ATOM 0 HD11 ILE A 69 -1.717 4.414 8.353 1.00 -0.09 H new ATOM 0 HD12 ILE A 69 -1.711 3.186 7.065 1.00 -0.09 H new ATOM 0 HD13 ILE A 69 -2.057 4.887 6.671 1.00 -0.09 H new ATOM 996 N PRO A 70 -6.780 2.166 4.520 1.00 -0.23 N ATOM 997 CA PRO A 70 -7.594 2.335 3.333 1.00 0.04 C ATOM 998 C PRO A 70 -9.069 2.586 3.578 1.00 0.53 C ATOM 999 O PRO A 70 -9.521 3.631 3.133 1.00 -0.50 O ATOM 1000 CB PRO A 70 -7.218 1.096 2.476 1.00 -0.12 C ATOM 1001 CG PRO A 70 -6.346 0.194 3.383 1.00 -0.12 C ATOM 1002 CD PRO A 70 -5.777 1.123 4.473 1.00 -0.01 C ATOM 0 HA PRO A 70 -7.385 3.263 2.802 1.00 0.04 H new ATOM 0 HB2 PRO A 70 -8.111 0.567 2.143 1.00 -0.12 H new ATOM 0 HB3 PRO A 70 -6.671 1.393 1.581 1.00 -0.12 H new ATOM 0 HG2 PRO A 70 -6.938 -0.608 3.823 1.00 -0.12 H new ATOM 0 HG3 PRO A 70 -5.545 -0.277 2.813 1.00 -0.12 H new ATOM 0 HD2 PRO A 70 -5.671 0.614 5.431 1.00 -0.01 H new ATOM 0 HD3 PRO A 70 -4.794 1.512 4.208 1.00 -0.01 H new ATOM 1010 N PRO A 71 -9.883 1.740 4.258 1.00 -0.23 N ATOM 1011 CA PRO A 71 -11.272 2.114 4.477 1.00 0.04 C ATOM 1012 C PRO A 71 -11.369 3.254 5.470 1.00 0.53 C ATOM 1013 O PRO A 71 -12.305 4.030 5.362 1.00 -0.50 O ATOM 1014 CB PRO A 71 -11.832 0.776 5.020 1.00 -0.12 C ATOM 1015 CG PRO A 71 -10.629 0.115 5.731 1.00 -0.12 C ATOM 1016 CD PRO A 71 -9.437 0.468 4.809 1.00 -0.01 C ATOM 0 HA PRO A 71 -11.810 2.489 3.606 1.00 0.04 H new ATOM 0 HB2 PRO A 71 -12.659 0.942 5.710 1.00 -0.12 H new ATOM 0 HB3 PRO A 71 -12.211 0.148 4.214 1.00 -0.12 H new ATOM 0 HG2 PRO A 71 -10.490 0.509 6.738 1.00 -0.12 H new ATOM 0 HG3 PRO A 71 -10.760 -0.963 5.826 1.00 -0.12 H new ATOM 0 HD2 PRO A 71 -8.502 0.562 5.361 1.00 -0.01 H new ATOM 0 HD3 PRO A 71 -9.276 -0.283 4.036 1.00 -0.01 H new ATOM 1024 N LYS A 72 -10.433 3.405 6.438 1.00 -0.46 N ATOM 1025 CA LYS A 72 -10.544 4.507 7.397 1.00 0.04 C ATOM 1026 C LYS A 72 -10.519 5.835 6.674 1.00 0.62 C ATOM 1027 O LYS A 72 -11.231 6.729 7.103 1.00 -0.50 O ATOM 1028 CB LYS A 72 -9.407 4.457 8.455 1.00 -0.10 C ATOM 1029 CG LYS A 72 -9.490 5.575 9.531 1.00 -0.16 C ATOM 1030 CD LYS A 72 -8.343 5.409 10.570 1.00 -0.18 C ATOM 1031 CE LYS A 72 -8.287 6.553 11.623 1.00 -0.04 C ATOM 1032 NZ LYS A 72 -9.502 6.632 12.469 1.00 -0.14 N ATOM 0 H LYS A 72 -9.624 2.797 6.566 1.00 -0.46 H new ATOM 0 HA LYS A 72 -11.495 4.399 7.918 1.00 0.04 H new ATOM 0 HB2 LYS A 72 -9.431 3.487 8.952 1.00 -0.10 H new ATOM 0 HB3 LYS A 72 -8.447 4.530 7.944 1.00 -0.10 H new ATOM 0 HG2 LYS A 72 -9.421 6.553 9.055 1.00 -0.16 H new ATOM 0 HG3 LYS A 72 -10.456 5.534 10.035 1.00 -0.16 H new ATOM 0 HD2 LYS A 72 -8.466 4.457 11.086 1.00 -0.18 H new ATOM 0 HD3 LYS A 72 -7.390 5.365 10.043 1.00 -0.18 H new ATOM 0 HE2 LYS A 72 -7.417 6.406 12.262 1.00 -0.04 H new ATOM 0 HE3 LYS A 72 -8.148 7.504 11.109 1.00 -0.04 H new ATOM 0 HZ1 LYS A 72 -9.402 7.413 13.148 1.00 -0.14 H new ATOM 0 HZ2 LYS A 72 -10.333 6.801 11.868 1.00 -0.14 H new ATOM 0 HZ3 LYS A 72 -9.624 5.738 12.985 1.00 -0.14 H new ATOM 1046 N CYS A 73 -9.718 5.994 5.591 1.00 -0.46 N ATOM 1047 CA CYS A 73 -9.695 7.268 4.866 1.00 0.04 C ATOM 1048 C CYS A 73 -9.834 7.079 3.371 1.00 0.62 C ATOM 1049 O CYS A 73 -9.105 7.729 2.637 1.00 -0.50 O ATOM 1050 CB CYS A 73 -8.407 8.052 5.238 1.00 -0.10 C ATOM 1051 SG CYS A 73 -8.635 9.827 4.854 1.00 0.82 S ATOM 0 H CYS A 73 -9.100 5.274 5.217 1.00 -0.46 H new ATOM 0 HA CYS A 73 -10.561 7.855 5.171 1.00 0.04 H new ATOM 0 HB2 CYS A 73 -8.185 7.925 6.298 1.00 -0.10 H new ATOM 0 HB3 CYS A 73 -7.556 7.656 4.684 1.00 -0.10 H new ATOM 1056 N GLY A 74 -10.771 6.224 2.901 1.00 -0.46 N ATOM 1057 CA GLY A 74 -11.014 6.140 1.461 1.00 0.04 C ATOM 1058 C GLY A 74 -11.807 4.921 1.039 1.00 0.62 C ATOM 1059 O GLY A 74 -12.995 5.043 0.790 1.00 -0.50 O ATOM 0 H GLY A 74 -11.345 5.610 3.478 1.00 -0.46 H new ATOM 0 HA2 GLY A 74 -11.546 7.036 1.140 1.00 0.04 H new ATOM 0 HA3 GLY A 74 -10.056 6.135 0.941 1.00 0.04 H new ATOM 1063 N VAL A 75 -11.155 3.740 0.936 1.00 -0.46 N ATOM 1064 CA VAL A 75 -11.794 2.569 0.327 1.00 0.04 C ATOM 1065 C VAL A 75 -10.905 1.353 0.503 1.00 0.62 C ATOM 1066 O VAL A 75 -9.701 1.537 0.576 1.00 -0.50 O ATOM 1067 CB VAL A 75 -12.070 2.841 -1.183 1.00 -0.01 C ATOM 1068 CG1 VAL A 75 -10.809 3.403 -1.895 1.00 -0.09 C ATOM 1069 CG2 VAL A 75 -12.594 1.584 -1.930 1.00 -0.09 C ATOM 0 H VAL A 75 -10.202 3.581 1.263 1.00 -0.46 H new ATOM 0 HA VAL A 75 -12.747 2.376 0.820 1.00 0.04 H new ATOM 0 HB VAL A 75 -12.858 3.593 -1.218 1.00 -0.01 H new ATOM 0 HG11 VAL A 75 -11.034 3.582 -2.946 1.00 -0.09 H new ATOM 0 HG12 VAL A 75 -10.512 4.339 -1.423 1.00 -0.09 H new ATOM 0 HG13 VAL A 75 -9.995 2.682 -1.816 1.00 -0.09 H new ATOM 0 HG21 VAL A 75 -12.770 1.830 -2.977 1.00 -0.09 H new ATOM 0 HG22 VAL A 75 -11.854 0.786 -1.864 1.00 -0.09 H new ATOM 0 HG23 VAL A 75 -13.527 1.252 -1.474 1.00 -0.09 H new ATOM 1079 N ASN A 76 -11.456 0.120 0.591 1.00 -0.46 N ATOM 1080 CA ASN A 76 -10.620 -1.048 0.884 1.00 0.04 C ATOM 1081 C ASN A 76 -9.557 -1.342 -0.159 1.00 0.62 C ATOM 1082 O ASN A 76 -9.681 -0.888 -1.284 1.00 -0.50 O ATOM 1083 CB ASN A 76 -11.499 -2.315 1.065 1.00 -0.09 C ATOM 1084 CG ASN A 76 -12.202 -2.615 -0.236 1.00 0.68 C ATOM 1085 OD1 ASN A 76 -13.251 -2.042 -0.480 1.00 -0.47 O ATOM 1086 ND2 ASN A 76 -11.655 -3.490 -1.104 1.00 -0.87 N ATOM 0 H ASN A 76 -12.448 -0.081 0.466 1.00 -0.46 H new ATOM 0 HA ASN A 76 -10.098 -0.793 1.806 1.00 0.04 H new ATOM 0 HB2 ASN A 76 -10.881 -3.162 1.363 1.00 -0.09 H new ATOM 0 HB3 ASN A 76 -12.228 -2.157 1.859 1.00 -0.09 H new ATOM 0 HD21 ASN A 76 -12.120 -3.687 -1.990 1.00 -0.87 H new ATOM 0 HD22 ASN A 76 -10.777 -3.955 -0.874 1.00 -0.87 H new ATOM 1093 N LEU A 77 -8.516 -2.130 0.210 1.00 -0.46 N ATOM 1094 CA LEU A 77 -7.542 -2.635 -0.765 1.00 0.04 C ATOM 1095 C LEU A 77 -8.137 -3.788 -1.558 1.00 0.62 C ATOM 1096 O LEU A 77 -9.017 -4.430 -1.005 1.00 -0.50 O ATOM 1097 CB LEU A 77 -6.138 -3.008 -0.176 1.00 -0.06 C ATOM 1098 CG LEU A 77 -6.020 -3.965 1.061 1.00 -0.01 C ATOM 1099 CD1 LEU A 77 -5.892 -3.220 2.418 1.00 -0.11 C ATOM 1100 CD2 LEU A 77 -7.097 -5.082 1.129 1.00 -0.11 C ATOM 0 H LEU A 77 -8.338 -2.423 1.171 1.00 -0.46 H new ATOM 0 HA LEU A 77 -7.337 -1.797 -1.431 1.00 0.04 H new ATOM 0 HB2 LEU A 77 -5.559 -3.455 -0.984 1.00 -0.06 H new ATOM 0 HB3 LEU A 77 -5.644 -2.074 0.092 1.00 -0.06 H new ATOM 0 HG LEU A 77 -5.074 -4.476 0.884 1.00 -0.01 H new ATOM 0 HD11 LEU A 77 -5.815 -3.947 3.226 1.00 -0.11 H new ATOM 0 HD12 LEU A 77 -5.000 -2.594 2.407 1.00 -0.11 H new ATOM 0 HD13 LEU A 77 -6.771 -2.595 2.575 1.00 -0.11 H new ATOM 0 HD21 LEU A 77 -6.933 -5.692 2.018 1.00 -0.11 H new ATOM 0 HD22 LEU A 77 -8.088 -4.630 1.177 1.00 -0.11 H new ATOM 0 HD23 LEU A 77 -7.027 -5.709 0.240 1.00 -0.11 H new ATOM 1112 N PRO A 78 -7.751 -4.125 -2.821 1.00 -0.23 N ATOM 1113 CA PRO A 78 -8.298 -5.327 -3.449 1.00 0.04 C ATOM 1114 C PRO A 78 -7.842 -6.621 -2.797 1.00 0.53 C ATOM 1115 O PRO A 78 -8.620 -7.561 -2.812 1.00 -0.50 O ATOM 1116 CB PRO A 78 -7.767 -5.159 -4.897 1.00 -0.12 C ATOM 1117 CG PRO A 78 -6.492 -4.298 -4.743 1.00 -0.12 C ATOM 1118 CD PRO A 78 -6.889 -3.284 -3.647 1.00 -0.01 C ATOM 0 HA PRO A 78 -9.382 -5.411 -3.369 1.00 0.04 H new ATOM 0 HB2 PRO A 78 -7.542 -6.124 -5.352 1.00 -0.12 H new ATOM 0 HB3 PRO A 78 -8.502 -4.669 -5.535 1.00 -0.12 H new ATOM 0 HG2 PRO A 78 -5.633 -4.899 -4.445 1.00 -0.12 H new ATOM 0 HG3 PRO A 78 -6.225 -3.801 -5.676 1.00 -0.12 H new ATOM 0 HD2 PRO A 78 -6.027 -2.905 -3.098 1.00 -0.01 H new ATOM 0 HD3 PRO A 78 -7.415 -2.419 -4.051 1.00 -0.01 H new ATOM 1126 N TYR A 79 -6.623 -6.720 -2.215 1.00 -0.46 N ATOM 1127 CA TYR A 79 -6.210 -7.951 -1.521 1.00 0.04 C ATOM 1128 C TYR A 79 -5.268 -7.590 -0.390 1.00 0.62 C ATOM 1129 O TYR A 79 -4.824 -6.458 -0.387 1.00 -0.50 O ATOM 1130 CB TYR A 79 -5.602 -8.984 -2.508 1.00 -0.10 C ATOM 1131 CG TYR A 79 -4.351 -8.407 -3.182 1.00 -0.03 C ATOM 1132 CD1 TYR A 79 -4.484 -7.499 -4.237 1.00 0.00 C ATOM 1133 CD2 TYR A 79 -3.068 -8.771 -2.762 1.00 0.00 C ATOM 1134 CE1 TYR A 79 -3.370 -6.810 -4.721 1.00 -0.26 C ATOM 1135 CE2 TYR A 79 -1.951 -8.085 -3.246 1.00 -0.26 C ATOM 1136 CZ TYR A 79 -2.104 -7.054 -4.175 1.00 0.46 C ATOM 1137 OH TYR A 79 -0.989 -6.296 -4.543 1.00 -0.53 O ATOM 0 H TYR A 79 -5.925 -5.976 -2.214 1.00 -0.46 H new ATOM 0 HA TYR A 79 -7.084 -8.439 -1.090 1.00 0.04 H new ATOM 0 HB2 TYR A 79 -5.346 -9.899 -1.974 1.00 -0.10 H new ATOM 0 HB3 TYR A 79 -6.340 -9.252 -3.264 1.00 -0.10 H new ATOM 0 HD1 TYR A 79 -5.454 -7.330 -4.680 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -2.940 -9.584 -2.062 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -3.485 -6.089 -5.517 1.00 -0.26 H new ATOM 0 HE2 TYR A 79 -0.964 -8.354 -2.900 1.00 -0.26 H new ATOM 0 HH TYR A 79 -1.256 -5.362 -4.671 1.00 -0.53 H new ATOM 1147 N THR A 80 -4.954 -8.467 0.590 1.00 -0.46 N ATOM 1148 CA THR A 80 -4.279 -8.008 1.817 1.00 0.04 C ATOM 1149 C THR A 80 -2.834 -7.552 1.704 1.00 0.62 C ATOM 1150 O THR A 80 -2.313 -7.127 2.723 1.00 -0.50 O ATOM 1151 CB THR A 80 -4.417 -9.093 2.924 1.00 0.17 C ATOM 1152 OG1 THR A 80 -4.094 -10.376 2.366 1.00 -0.55 O ATOM 1153 CG2 THR A 80 -5.869 -9.183 3.460 1.00 -0.19 C ATOM 0 H THR A 80 -5.151 -9.467 0.556 1.00 -0.46 H new ATOM 0 HA THR A 80 -4.804 -7.087 2.071 1.00 0.04 H new ATOM 0 HB THR A 80 -3.745 -8.819 3.737 1.00 0.17 H new ATOM 0 HG1 THR A 80 -3.418 -10.267 1.665 1.00 -0.55 H new ATOM 0 HG21 THR A 80 -5.925 -9.951 4.231 1.00 -0.19 H new ATOM 0 HG22 THR A 80 -6.161 -8.222 3.883 1.00 -0.19 H new ATOM 0 HG23 THR A 80 -6.543 -9.439 2.643 1.00 -0.19 H new ATOM 1161 N ILE A 81 -2.175 -7.596 0.526 1.00 -0.46 N ATOM 1162 CA ILE A 81 -0.820 -7.046 0.352 1.00 0.04 C ATOM 1163 C ILE A 81 0.248 -7.600 1.286 1.00 0.62 C ATOM 1164 O ILE A 81 -0.071 -8.240 2.274 1.00 -0.50 O ATOM 1165 CB ILE A 81 -0.835 -5.489 0.221 1.00 -0.01 C ATOM 1166 CG1 ILE A 81 -1.103 -4.757 1.569 1.00 -0.05 C ATOM 1167 CG2 ILE A 81 -1.842 -5.041 -0.871 1.00 -0.09 C ATOM 1168 CD1 ILE A 81 -0.830 -3.231 1.503 1.00 -0.09 C ATOM 0 H ILE A 81 -2.565 -8.010 -0.321 1.00 -0.46 H new ATOM 0 HA ILE A 81 -0.481 -7.431 -0.610 1.00 0.04 H new ATOM 0 HB ILE A 81 0.170 -5.195 -0.083 1.00 -0.01 H new ATOM 0 HG12 ILE A 81 -2.139 -4.921 1.864 1.00 -0.05 H new ATOM 0 HG13 ILE A 81 -0.477 -5.198 2.345 1.00 -0.05 H new ATOM 0 HG21 ILE A 81 -1.837 -3.954 -0.946 1.00 -0.09 H new ATOM 0 HG22 ILE A 81 -1.555 -5.472 -1.830 1.00 -0.09 H new ATOM 0 HG23 ILE A 81 -2.843 -5.382 -0.605 1.00 -0.09 H new ATOM 0 HD11 ILE A 81 -1.036 -2.782 2.475 1.00 -0.09 H new ATOM 0 HD12 ILE A 81 0.213 -3.059 1.238 1.00 -0.09 H new ATOM 0 HD13 ILE A 81 -1.475 -2.778 0.750 1.00 -0.09 H new ATOM 1180 N SER A 82 1.558 -7.401 0.984 1.00 -0.46 N ATOM 1181 CA SER A 82 2.626 -8.044 1.762 1.00 0.04 C ATOM 1182 C SER A 82 3.132 -7.214 2.926 1.00 0.62 C ATOM 1183 O SER A 82 4.336 -7.168 3.123 1.00 -0.50 O ATOM 1184 CB SER A 82 3.779 -8.529 0.834 1.00 0.02 C ATOM 1185 OG SER A 82 4.860 -9.137 1.565 1.00 -0.55 O ATOM 0 H SER A 82 1.886 -6.810 0.220 1.00 -0.46 H new ATOM 0 HA SER A 82 2.174 -8.920 2.227 1.00 0.04 H new ATOM 0 HB2 SER A 82 3.384 -9.246 0.114 1.00 0.02 H new ATOM 0 HB3 SER A 82 4.162 -7.683 0.264 1.00 0.02 H new ATOM 0 HG SER A 82 5.023 -8.631 2.388 1.00 -0.55 H new ATOM 1191 N LEU A 83 2.257 -6.592 3.748 1.00 -0.46 N ATOM 1192 CA LEU A 83 2.706 -6.036 5.032 1.00 0.04 C ATOM 1193 C LEU A 83 2.527 -7.174 6.015 1.00 0.62 C ATOM 1194 O LEU A 83 1.672 -7.095 6.880 1.00 -0.50 O ATOM 1195 CB LEU A 83 1.904 -4.765 5.439 1.00 -0.06 C ATOM 1196 CG LEU A 83 2.437 -3.448 4.803 1.00 -0.01 C ATOM 1197 CD1 LEU A 83 2.580 -3.574 3.269 1.00 -0.11 C ATOM 1198 CD2 LEU A 83 1.500 -2.258 5.142 1.00 -0.11 C ATOM 0 H LEU A 83 1.265 -6.467 3.548 1.00 -0.46 H new ATOM 0 HA LEU A 83 3.739 -5.691 4.992 1.00 0.04 H new ATOM 0 HB2 LEU A 83 0.861 -4.899 5.152 1.00 -0.06 H new ATOM 0 HB3 LEU A 83 1.925 -4.667 6.524 1.00 -0.06 H new ATOM 0 HG LEU A 83 3.424 -3.262 5.226 1.00 -0.01 H new ATOM 0 HD11 LEU A 83 2.954 -2.635 2.860 1.00 -0.11 H new ATOM 0 HD12 LEU A 83 3.279 -4.377 3.033 1.00 -0.11 H new ATOM 0 HD13 LEU A 83 1.608 -3.799 2.830 1.00 -0.11 H new ATOM 0 HD21 LEU A 83 1.890 -1.347 4.688 1.00 -0.11 H new ATOM 0 HD22 LEU A 83 0.502 -2.459 4.753 1.00 -0.11 H new ATOM 0 HD23 LEU A 83 1.449 -2.132 6.223 1.00 -0.11 H new ATOM 1210 N ASN A 84 3.325 -8.256 5.868 1.00 -0.46 N ATOM 1211 CA ASN A 84 3.142 -9.456 6.690 1.00 0.04 C ATOM 1212 C ASN A 84 1.893 -10.246 6.337 1.00 0.62 C ATOM 1213 O ASN A 84 1.422 -10.954 7.213 1.00 -0.50 O ATOM 1214 CB ASN A 84 3.248 -9.146 8.212 1.00 -0.09 C ATOM 1215 CG ASN A 84 4.427 -8.254 8.522 1.00 0.68 C ATOM 1216 OD1 ASN A 84 5.411 -8.307 7.800 1.00 -0.47 O ATOM 1217 ND2 ASN A 84 4.390 -7.433 9.591 1.00 -0.87 N ATOM 0 H ASN A 84 4.089 -8.316 5.195 1.00 -0.46 H new ATOM 0 HA ASN A 84 3.975 -10.115 6.446 1.00 0.04 H new ATOM 0 HB2 ASN A 84 2.330 -8.665 8.550 1.00 -0.09 H new ATOM 0 HB3 ASN A 84 3.342 -10.079 8.767 1.00 -0.09 H new ATOM 0 HD21 ASN A 84 5.193 -6.842 9.808 1.00 -0.87 H new ATOM 0 HD22 ASN A 84 3.559 -7.403 10.182 1.00 -0.87 H new ATOM 1224 N ILE A 85 1.360 -10.178 5.086 1.00 -0.46 N ATOM 1225 CA ILE A 85 0.269 -11.071 4.664 1.00 0.04 C ATOM 1226 C ILE A 85 0.606 -11.726 3.328 1.00 0.62 C ATOM 1227 O ILE A 85 1.024 -12.874 3.365 1.00 -0.50 O ATOM 1228 CB ILE A 85 -1.186 -10.494 4.712 1.00 -0.01 C ATOM 1229 CG1 ILE A 85 -1.458 -9.646 5.993 1.00 -0.05 C ATOM 1230 CG2 ILE A 85 -2.212 -11.664 4.624 1.00 -0.09 C ATOM 1231 CD1 ILE A 85 -1.017 -8.166 5.832 1.00 -0.09 C ATOM 0 H ILE A 85 1.669 -9.521 4.369 1.00 -0.46 H new ATOM 0 HA ILE A 85 0.223 -11.832 5.443 1.00 0.04 H new ATOM 0 HB ILE A 85 -1.298 -9.825 3.859 1.00 -0.01 H new ATOM 0 HG12 ILE A 85 -2.522 -9.681 6.229 1.00 -0.05 H new ATOM 0 HG13 ILE A 85 -0.930 -10.089 6.837 1.00 -0.05 H new ATOM 0 HG21 ILE A 85 -3.225 -11.263 4.657 1.00 -0.09 H new ATOM 0 HG22 ILE A 85 -2.067 -12.206 3.689 1.00 -0.09 H new ATOM 0 HG23 ILE A 85 -2.063 -12.343 5.464 1.00 -0.09 H new ATOM 0 HD11 ILE A 85 -1.229 -7.621 6.752 1.00 -0.09 H new ATOM 0 HD12 ILE A 85 0.052 -8.125 5.624 1.00 -0.09 H new ATOM 0 HD13 ILE A 85 -1.564 -7.711 5.007 1.00 -0.09 H new ATOM 1243 N ASP A 86 0.460 -11.085 2.137 1.00 -0.46 N ATOM 1244 CA ASP A 86 0.690 -11.814 0.883 1.00 0.04 C ATOM 1245 C ASP A 86 0.983 -10.975 -0.352 1.00 0.62 C ATOM 1246 O ASP A 86 0.856 -9.763 -0.319 1.00 -0.50 O ATOM 1247 CB ASP A 86 -0.619 -12.598 0.590 1.00 -0.40 C ATOM 1248 CG ASP A 86 -1.665 -11.636 0.090 1.00 0.71 C ATOM 1249 OD1 ASP A 86 -1.960 -10.648 0.816 1.00 -0.72 O ATOM 1250 OD2 ASP A 86 -2.176 -11.845 -1.042 1.00 -0.72 O ATOM 0 H ASP A 86 0.195 -10.106 2.030 1.00 -0.46 H new ATOM 0 HA ASP A 86 1.584 -12.416 1.045 1.00 0.04 H new ATOM 0 HB2 ASP A 86 -0.435 -13.374 -0.153 1.00 -0.40 H new ATOM 0 HB3 ASP A 86 -0.968 -13.098 1.493 1.00 -0.40 H new ATOM 1255 N CYS A 87 1.354 -11.636 -1.477 1.00 -0.46 N ATOM 1256 CA CYS A 87 1.432 -10.977 -2.787 1.00 0.04 C ATOM 1257 C CYS A 87 1.523 -12.059 -3.851 1.00 0.62 C ATOM 1258 O CYS A 87 2.606 -12.319 -4.351 1.00 -0.50 O ATOM 1259 CB CYS A 87 2.605 -9.962 -2.889 1.00 -0.10 C ATOM 1260 SG CYS A 87 2.069 -8.297 -2.375 1.00 0.82 S ATOM 0 H CYS A 87 1.602 -12.625 -1.494 1.00 -0.46 H new ATOM 0 HA CYS A 87 0.534 -10.378 -2.936 1.00 0.04 H new ATOM 0 HB2 CYS A 87 3.433 -10.292 -2.261 1.00 -0.10 H new ATOM 0 HB3 CYS A 87 2.975 -9.929 -3.914 1.00 -0.10 H new ATOM 1265 N SER A 88 0.382 -12.709 -4.184 1.00 -0.46 N ATOM 1266 CA SER A 88 0.396 -13.829 -5.127 1.00 0.04 C ATOM 1267 C SER A 88 1.216 -13.577 -6.373 1.00 0.62 C ATOM 1268 O SER A 88 1.966 -14.459 -6.758 1.00 -0.50 O ATOM 1269 CB SER A 88 -1.051 -14.181 -5.559 1.00 0.02 C ATOM 1270 OG SER A 88 -1.825 -14.409 -4.369 1.00 -0.55 O ATOM 0 H SER A 88 -0.540 -12.475 -3.815 1.00 -0.46 H new ATOM 0 HA SER A 88 0.865 -14.654 -4.591 1.00 0.04 H new ATOM 0 HB2 SER A 88 -1.482 -13.369 -6.145 1.00 0.02 H new ATOM 0 HB3 SER A 88 -1.055 -15.068 -6.192 1.00 0.02 H new ATOM 0 HG SER A 88 -2.747 -14.632 -4.616 1.00 -0.55 H new ATOM 1276 N ARG A 89 1.084 -12.397 -7.023 1.00 -0.46 N ATOM 1277 CA ARG A 89 1.869 -12.136 -8.232 1.00 0.04 C ATOM 1278 C ARG A 89 1.664 -13.252 -9.233 1.00 0.62 C ATOM 1279 O ARG A 89 2.614 -13.904 -9.636 1.00 -0.50 O ATOM 1280 CB ARG A 89 3.357 -11.904 -7.850 1.00 -0.08 C ATOM 1281 CG ARG A 89 3.513 -10.585 -7.043 1.00 -0.10 C ATOM 1282 CD ARG A 89 4.924 -10.463 -6.404 1.00 -0.23 C ATOM 1283 NE ARG A 89 5.109 -11.441 -5.324 1.00 -0.32 N ATOM 1284 CZ ARG A 89 6.251 -11.641 -4.703 1.00 0.76 C ATOM 1285 NH1 ARG A 89 7.332 -10.947 -4.964 1.00 -0.62 N ATOM 1286 NH2 ARG A 89 6.319 -12.570 -3.780 1.00 -0.62 N ATOM 0 H ARG A 89 0.462 -11.641 -6.737 1.00 -0.46 H new ATOM 0 HA ARG A 89 1.528 -11.223 -8.720 1.00 0.04 H new ATOM 0 HB2 ARG A 89 3.722 -12.744 -7.259 1.00 -0.08 H new ATOM 0 HB3 ARG A 89 3.967 -11.860 -8.752 1.00 -0.08 H new ATOM 0 HG2 ARG A 89 3.337 -9.734 -7.700 1.00 -0.10 H new ATOM 0 HG3 ARG A 89 2.755 -10.546 -6.261 1.00 -0.10 H new ATOM 0 HD2 ARG A 89 5.686 -10.615 -7.169 1.00 -0.23 H new ATOM 0 HD3 ARG A 89 5.062 -9.455 -6.012 1.00 -0.23 H new ATOM 0 HE ARG A 89 4.304 -11.998 -5.039 1.00 -0.32 H new ATOM 0 HH11 ARG A 89 7.309 -10.216 -5.675 1.00 -0.62 H new ATOM 0 HH12 ARG A 89 8.196 -11.138 -4.456 1.00 -0.62 H new ATOM 0 HH21 ARG A 89 5.494 -13.125 -3.553 1.00 -0.62 H new ATOM 0 HH22 ARG A 89 7.197 -12.738 -3.289 1.00 -0.62 H new ATOM 1300 N VAL A 90 0.395 -13.470 -9.649 1.00 -0.46 N ATOM 1301 CA VAL A 90 0.110 -14.517 -10.633 1.00 0.04 C ATOM 1302 C VAL A 90 0.683 -14.124 -11.976 1.00 0.62 C ATOM 1303 O VAL A 90 1.297 -13.078 -12.127 1.00 -0.50 O ATOM 1304 CB VAL A 90 -1.407 -14.869 -10.740 1.00 -0.01 C ATOM 1305 CG1 VAL A 90 -1.991 -15.293 -9.363 1.00 -0.09 C ATOM 1306 CG2 VAL A 90 -2.248 -13.720 -11.366 1.00 -0.09 C ATOM 1307 OXT VAL A 90 0.473 -14.993 -12.970 1.00 0.00 O ATOM 0 H VAL A 90 -0.419 -12.948 -9.325 1.00 -0.46 H new ATOM 0 HA VAL A 90 0.595 -15.429 -10.286 1.00 0.04 H new ATOM 0 HB VAL A 90 -1.475 -15.719 -11.419 1.00 -0.01 H new ATOM 0 HG11 VAL A 90 -3.049 -15.531 -9.474 1.00 -0.09 H new ATOM 0 HG12 VAL A 90 -1.458 -16.170 -8.996 1.00 -0.09 H new ATOM 0 HG13 VAL A 90 -1.876 -14.475 -8.652 1.00 -0.09 H new ATOM 0 HG21 VAL A 90 -3.295 -14.020 -11.416 1.00 -0.09 H new ATOM 0 HG22 VAL A 90 -2.156 -12.825 -10.751 1.00 -0.09 H new ATOM 0 HG23 VAL A 90 -1.883 -13.508 -12.371 1.00 -0.09 H new TER 1318 VAL A 90 HETATM 1319 C1 E2P A 91 -4.696 0.745 -0.955 1.00 -0.12 C HETATM 1320 C2 E2P A 91 -4.052 1.535 0.213 1.00 -0.07 C HETATM 1321 C3 E2P A 91 -2.559 1.847 -0.077 1.00 -0.07 C HETATM 1322 C4 E2P A 91 -1.857 2.680 1.035 1.00 -0.07 C HETATM 1323 C5 E2P A 91 -1.898 2.096 2.481 1.00 -0.06 C HETATM 1324 C6 E2P A 91 -1.197 0.721 2.699 1.00 0.16 C HETATM 1325 O6 E2P A 91 -2.011 -0.418 2.376 1.00 -0.46 O HETATM 1326 C7 E2P A 91 0.187 0.742 2.090 1.00 0.02 C HETATM 1327 C8 E2P A 91 0.577 0.132 0.963 1.00 -0.14 C HETATM 1328 C9 E2P A 91 1.959 0.251 0.444 1.00 0.02 C HETATM 1329 C10 E2P A 91 3.110 0.539 1.376 1.00 -0.01 C HETATM 1330 C11 E2P A 91 4.396 0.311 0.541 1.00 -0.02 C HETATM 1331 C12 E2P A 91 3.824 0.261 -0.840 1.00 0.21 C HETATM 1332 O12 E2P A 91 4.504 0.320 -1.852 1.00 -0.34 O HETATM 1333 C13 E2P A 91 2.362 0.156 -0.830 1.00 -0.11 C HETATM 1334 C14 E2P A 91 1.513 0.012 -2.071 1.00 0.04 C HETATM 1335 C15 E2P A 91 2.009 -1.075 -2.995 1.00 -0.12 C HETATM 1336 C16 E2P A 91 1.323 -2.160 -3.379 1.00 -0.11 C HETATM 1337 C17 E2P A 91 -0.088 -2.482 -2.960 1.00 -0.01 C HETATM 1338 C18 E2P A 91 -1.091 -1.667 -3.823 1.00 -0.07 C HETATM 1339 C19 E2P A 91 -2.558 -2.020 -3.460 1.00 -0.01 C HETATM 1340 C20 E2P A 91 -2.871 -3.445 -3.827 1.00 0.35 C HETATM 1341 O21 E2P A 91 -3.708 -4.097 -3.025 1.00 -0.38 O HETATM 1342 O20 E2P A 91 -2.383 -3.980 -4.809 1.00 -0.35 O HETATM 0 H192 E2P A 91 -2.719 -1.871 -2.392 1.00 -0.01 H new HETATM 0 H191 E2P A 91 -3.239 -1.347 -3.982 1.00 -0.01 H new HETATM 0 H182 E2P A 91 -0.922 -0.601 -3.672 1.00 -0.07 H new HETATM 0 H181 E2P A 91 -0.916 -1.871 -4.879 1.00 -0.07 H new HETATM 0 H172 E2P A 91 -0.277 -3.549 -3.076 1.00 -0.01 H new HETATM 0 H171 E2P A 91 -0.227 -2.247 -1.905 1.00 -0.01 H new HETATM 0 H142 E2P A 91 0.485 -0.206 -1.780 1.00 0.04 H new HETATM 0 H141 E2P A 91 1.498 0.960 -2.608 1.00 0.04 H new HETATM 0 H102 E2P A 91 3.063 1.561 1.751 1.00 -0.01 H new HETATM 0 H101 E2P A 91 3.085 -0.120 2.244 1.00 -0.01 H new HETATM 0 HO6 E2P A 91 -2.120 -0.979 3.172 1.00 -0.46 H new HETATM 0 H8 E2P A 91 -0.145 -0.470 0.411 1.00 -0.14 H new HETATM 0 H79 E2P A 91 5.117 1.120 0.661 1.00 -0.02 H new HETATM 0 H78 E2P A 91 4.906 -0.613 0.811 1.00 -0.02 H new HETATM 0 H7 E2P A 91 0.947 1.313 2.624 1.00 0.02 H new HETATM 0 H6 E2P A 91 -1.056 0.577 3.770 1.00 0.16 H new HETATM 0 H52 E2P A 91 -1.442 2.822 3.154 1.00 -0.06 H new HETATM 0 H51 E2P A 91 -2.942 1.997 2.779 1.00 -0.06 H new HETATM 0 H42 E2P A 91 -0.813 2.814 0.752 1.00 -0.07 H new HETATM 0 H41 E2P A 91 -2.311 3.671 1.055 1.00 -0.07 H new HETATM 0 H32 E2P A 91 -2.021 0.908 -0.207 1.00 -0.07 H new HETATM 0 H31 E2P A 91 -2.488 2.388 -1.021 1.00 -0.07 H new HETATM 0 H22 E2P A 91 -4.597 2.466 0.370 1.00 -0.07 H new HETATM 0 H21 E2P A 91 -4.134 0.958 1.134 1.00 -0.07 H new HETATM 0 H16 E2P A 91 1.824 -2.863 -4.045 1.00 -0.11 H new HETATM 0 H15 E2P A 91 3.021 -0.967 -3.386 1.00 -0.12 H new HETATM 0 H13 E2P A 91 -5.741 0.541 -0.723 1.00 -0.12 H new HETATM 0 H12 E2P A 91 -4.635 1.334 -1.870 1.00 -0.12 H new HETATM 0 H11 E2P A 91 -4.165 -0.197 -1.094 1.00 -0.12 H new