USER MOD reduce.3.24.130724 H: found=0, std=0, add=678, rem=0, adj=16 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 65:sc= 1.2 USER MOD Set 1.2: A 65 ASN : amide:sc= 0.332 K(o=1.5,f=-0.89) USER MOD Set 2.1: A 5 HIS : no HD1:sc= -1.1 K(o=-2.5,f=0.13) USER MOD Set 2.2: A 37 GLN : amide:sc= -1.42 K(o=-2.5,f=0.13) USER MOD Single : A 1 ILE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-1!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.256 X(o=-0.26,f=-0.12) USER MOD Single : A 32 LYS NZ :NH3+ -96:sc= 1.24 (180deg=-0.913) USER MOD Single : A 33 ASN : amide:sc= -0.378 X(o=-0.38,f=-0.29) USER MOD Single : A 35 HIS : no HE2:sc= -0.196 K(o=-0.2,f=-3.2!) USER MOD Single : A 36 ASN : amide:sc=-0.00286 K(o=-0.0029,f=-1.3) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.0539 K(o=-0.054,f=-0.93) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -1.29 K(o=-1.3,f=-4.5!) USER MOD Single : A 46 SER OG : rot 72:sc= 0.0887 USER MOD Single : A 49 ASN : amide:sc= 0.151 X(o=0.15,f=0) USER MOD Single : A 52 LYS NZ :NH3+ 172:sc= 0.268 (180deg=0.138) USER MOD Single : A 59 HIS : no HD1:sc= -0.451 X(o=-0.45,f=-0.15) USER MOD Single : A 60 ASN : amide:sc= -0.23 X(o=-0.23,f=-0.27) USER MOD Single : A 62 ASN : amide:sc= -0.577 K(o=-0.58,f=-6!) USER MOD Single : A 68 SER OG : rot -23:sc= 0.0701 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -0.273 X(o=-0.27,f=-0.41) USER MOD Single : A 79 TYR OH : rot -143:sc= 0.926 USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.332 USER MOD Single : A 82 SER OG : rot 18:sc= 1.12 USER MOD Single : A 84 ASN : amide:sc= -0.33 K(o=-0.33,f=-1.8) USER MOD Single : A 88 SER OG : rot -57:sc= 0.143 USER MOD Single : A 91 E2P O6 : rot -130:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -3.042 -8.656 10.296 1.00 -0.46 N ATOM 2 CA ILE A 1 -2.447 -8.495 8.962 1.00 0.04 C ATOM 3 C ILE A 1 -2.758 -9.709 8.095 1.00 0.62 C ATOM 4 O ILE A 1 -3.930 -9.847 7.780 1.00 -0.50 O ATOM 5 CB ILE A 1 -0.977 -7.947 8.975 1.00 -0.01 C ATOM 6 CG1 ILE A 1 -0.065 -8.668 10.020 1.00 -0.05 C ATOM 7 CG2 ILE A 1 -0.942 -6.408 9.239 1.00 -0.09 C ATOM 8 CD1 ILE A 1 1.440 -8.336 9.833 1.00 -0.09 C ATOM 0 H1 ILE A 1 -2.823 -7.822 10.877 1.00 -0.46 H new ATOM 0 H2 ILE A 1 -4.073 -8.754 10.207 1.00 -0.46 H new ATOM 0 H3 ILE A 1 -2.652 -9.506 10.750 1.00 -0.46 H new ATOM 0 HA ILE A 1 -2.934 -7.668 8.446 1.00 0.04 H new ATOM 0 HB ILE A 1 -0.580 -8.156 7.982 1.00 -0.01 H new ATOM 0 HG12 ILE A 1 -0.374 -8.381 11.025 1.00 -0.05 H new ATOM 0 HG13 ILE A 1 -0.208 -9.746 9.938 1.00 -0.05 H new ATOM 0 HG21 ILE A 1 0.092 -6.063 9.241 1.00 -0.09 H new ATOM 0 HG22 ILE A 1 -1.495 -5.892 8.455 1.00 -0.09 H new ATOM 0 HG23 ILE A 1 -1.398 -6.194 10.206 1.00 -0.09 H new ATOM 0 HD11 ILE A 1 2.025 -8.864 10.586 1.00 -0.09 H new ATOM 0 HD12 ILE A 1 1.761 -8.648 8.839 1.00 -0.09 H new ATOM 0 HD13 ILE A 1 1.592 -7.262 9.943 1.00 -0.09 H new ATOM 22 N ASP A 2 -1.815 -10.585 7.667 1.00 -0.46 N ATOM 23 CA ASP A 2 -2.186 -11.734 6.833 1.00 0.04 C ATOM 24 C ASP A 2 -3.146 -11.331 5.731 1.00 0.62 C ATOM 25 O ASP A 2 -4.180 -11.951 5.541 1.00 -0.50 O ATOM 26 CB ASP A 2 -2.733 -12.854 7.756 1.00 -0.40 C ATOM 27 CG ASP A 2 -3.028 -14.129 7.008 1.00 0.71 C ATOM 28 OD1 ASP A 2 -2.371 -14.380 5.962 1.00 -0.72 O ATOM 29 OD2 ASP A 2 -3.917 -14.895 7.468 1.00 -0.72 O ATOM 0 H ASP A 2 -0.821 -10.514 7.883 1.00 -0.46 H new ATOM 0 HA ASP A 2 -1.311 -12.124 6.312 1.00 0.04 H new ATOM 0 HB2 ASP A 2 -2.007 -13.058 8.543 1.00 -0.40 H new ATOM 0 HB3 ASP A 2 -3.643 -12.505 8.245 1.00 -0.40 H new ATOM 34 N CYS A 3 -2.805 -10.248 4.996 1.00 -0.46 N ATOM 35 CA CYS A 3 -3.707 -9.725 3.971 1.00 0.04 C ATOM 36 C CYS A 3 -5.145 -9.657 4.444 1.00 0.62 C ATOM 37 O CYS A 3 -6.025 -10.180 3.778 1.00 -0.50 O ATOM 38 CB CYS A 3 -3.559 -10.543 2.664 1.00 -0.10 C ATOM 39 SG CYS A 3 -4.356 -9.720 1.235 1.00 0.82 S ATOM 0 H CYS A 3 -1.929 -9.736 5.097 1.00 -0.46 H new ATOM 0 HA CYS A 3 -3.417 -8.695 3.763 1.00 0.04 H new ATOM 0 HB2 CYS A 3 -2.501 -10.693 2.450 1.00 -0.10 H new ATOM 0 HB3 CYS A 3 -3.999 -11.530 2.804 1.00 -0.10 H new ATOM 44 N GLY A 4 -5.377 -8.989 5.595 1.00 -0.46 N ATOM 45 CA GLY A 4 -6.735 -8.799 6.106 1.00 0.04 C ATOM 46 C GLY A 4 -6.847 -7.410 6.690 1.00 0.62 C ATOM 47 O GLY A 4 -7.545 -6.567 6.148 1.00 -0.50 O ATOM 0 H GLY A 4 -4.645 -8.580 6.176 1.00 -0.46 H new ATOM 0 HA2 GLY A 4 -7.462 -8.931 5.304 1.00 0.04 H new ATOM 0 HA3 GLY A 4 -6.960 -9.547 6.866 1.00 0.04 H new ATOM 51 N HIS A 5 -6.128 -7.134 7.801 1.00 -0.46 N ATOM 52 CA HIS A 5 -6.107 -5.768 8.325 1.00 0.04 C ATOM 53 C HIS A 5 -5.600 -4.837 7.237 1.00 0.62 C ATOM 54 O HIS A 5 -6.181 -3.779 7.050 1.00 -0.50 O ATOM 55 CB HIS A 5 -5.244 -5.700 9.613 1.00 -0.10 C ATOM 56 CG HIS A 5 -5.285 -4.404 10.379 1.00 0.06 C ATOM 57 ND1 HIS A 5 -6.034 -3.361 10.169 1.00 -0.06 N ATOM 58 CD2 HIS A 5 -4.529 -4.118 11.442 1.00 -0.04 C ATOM 59 CE1 HIS A 5 -5.800 -2.421 11.036 1.00 0.11 C ATOM 60 NE2 HIS A 5 -4.869 -2.915 11.798 1.00 -0.06 N ATOM 0 H HIS A 5 -5.579 -7.814 8.327 1.00 -0.46 H new ATOM 0 HA HIS A 5 -7.111 -5.450 8.605 1.00 0.04 H new ATOM 0 HB2 HIS A 5 -5.562 -6.501 10.280 1.00 -0.10 H new ATOM 0 HB3 HIS A 5 -4.208 -5.904 9.341 1.00 -0.10 H new ATOM 0 HD2 HIS A 5 -3.790 -4.753 11.908 1.00 -0.04 H new ATOM 0 HE1 HIS A 5 -6.271 -1.452 11.107 1.00 0.11 H new ATOM 0 HE2 HIS A 5 -4.453 -2.416 12.584 1.00 -0.06 H new ATOM 69 N VAL A 6 -4.537 -5.224 6.490 1.00 -0.46 N ATOM 70 CA VAL A 6 -4.108 -4.433 5.328 1.00 0.04 C ATOM 71 C VAL A 6 -5.298 -4.206 4.418 1.00 0.62 C ATOM 72 O VAL A 6 -5.599 -3.073 4.076 1.00 -0.50 O ATOM 73 CB VAL A 6 -2.981 -5.141 4.501 1.00 -0.01 C ATOM 74 CG1 VAL A 6 -2.796 -4.529 3.081 1.00 -0.09 C ATOM 75 CG2 VAL A 6 -1.618 -5.122 5.248 1.00 -0.09 C ATOM 0 H VAL A 6 -3.978 -6.058 6.671 1.00 -0.46 H new ATOM 0 HA VAL A 6 -3.707 -3.492 5.706 1.00 0.04 H new ATOM 0 HB VAL A 6 -3.314 -6.172 4.385 1.00 -0.01 H new ATOM 0 HG11 VAL A 6 -2.002 -5.061 2.556 1.00 -0.09 H new ATOM 0 HG12 VAL A 6 -3.726 -4.622 2.521 1.00 -0.09 H new ATOM 0 HG13 VAL A 6 -2.530 -3.476 3.171 1.00 -0.09 H new ATOM 0 HG21 VAL A 6 -0.864 -5.623 4.641 1.00 -0.09 H new ATOM 0 HG22 VAL A 6 -1.315 -4.090 5.426 1.00 -0.09 H new ATOM 0 HG23 VAL A 6 -1.719 -5.640 6.202 1.00 -0.09 H new ATOM 85 N ASP A 7 -5.973 -5.301 4.005 1.00 -0.46 N ATOM 86 CA ASP A 7 -7.053 -5.186 3.028 1.00 0.04 C ATOM 87 C ASP A 7 -8.060 -4.155 3.484 1.00 0.62 C ATOM 88 O ASP A 7 -8.410 -3.273 2.716 1.00 -0.50 O ATOM 89 CB ASP A 7 -7.733 -6.561 2.785 1.00 -0.40 C ATOM 90 CG ASP A 7 -6.712 -7.553 2.302 1.00 0.71 C ATOM 91 OD1 ASP A 7 -5.594 -7.558 2.881 1.00 -0.72 O ATOM 92 OD2 ASP A 7 -6.986 -8.318 1.341 1.00 -0.72 O ATOM 0 H ASP A 7 -5.788 -6.250 4.330 1.00 -0.46 H new ATOM 0 HA ASP A 7 -6.628 -4.857 2.080 1.00 0.04 H new ATOM 0 HB2 ASP A 7 -8.193 -6.918 3.706 1.00 -0.40 H new ATOM 0 HB3 ASP A 7 -8.531 -6.458 2.049 1.00 -0.40 H new ATOM 97 N SER A 8 -8.527 -4.247 4.748 1.00 -0.46 N ATOM 98 CA SER A 8 -9.488 -3.260 5.238 1.00 0.04 C ATOM 99 C SER A 8 -8.949 -1.854 5.086 1.00 0.62 C ATOM 100 O SER A 8 -9.644 -0.995 4.566 1.00 -0.50 O ATOM 101 CB SER A 8 -9.826 -3.498 6.733 1.00 0.02 C ATOM 102 OG SER A 8 -10.742 -2.477 7.164 1.00 -0.55 O ATOM 0 H SER A 8 -8.262 -4.969 5.418 1.00 -0.46 H new ATOM 0 HA SER A 8 -10.391 -3.374 4.638 1.00 0.04 H new ATOM 0 HB2 SER A 8 -10.268 -4.485 6.868 1.00 0.02 H new ATOM 0 HB3 SER A 8 -8.918 -3.470 7.335 1.00 0.02 H new ATOM 0 HG SER A 8 -10.966 -2.616 8.108 1.00 -0.55 H new ATOM 108 N LEU A 9 -7.701 -1.592 5.535 1.00 -0.46 N ATOM 109 CA LEU A 9 -7.189 -0.221 5.507 1.00 0.04 C ATOM 110 C LEU A 9 -7.059 0.328 4.102 1.00 0.62 C ATOM 111 O LEU A 9 -7.245 1.525 3.934 1.00 -0.50 O ATOM 112 CB LEU A 9 -5.804 -0.101 6.196 1.00 -0.06 C ATOM 113 CG LEU A 9 -5.805 -0.402 7.726 1.00 -0.01 C ATOM 114 CD1 LEU A 9 -4.345 -0.348 8.252 1.00 -0.11 C ATOM 115 CD2 LEU A 9 -6.711 0.579 8.524 1.00 -0.11 C ATOM 0 H LEU A 9 -7.057 -2.290 5.907 1.00 -0.46 H new ATOM 0 HA LEU A 9 -7.929 0.363 6.054 1.00 0.04 H new ATOM 0 HB2 LEU A 9 -5.110 -0.784 5.706 1.00 -0.06 H new ATOM 0 HB3 LEU A 9 -5.422 0.908 6.039 1.00 -0.06 H new ATOM 0 HG LEU A 9 -6.221 -1.398 7.876 1.00 -0.01 H new ATOM 0 HD11 LEU A 9 -4.336 -0.557 9.322 1.00 -0.11 H new ATOM 0 HD12 LEU A 9 -3.743 -1.093 7.731 1.00 -0.11 H new ATOM 0 HD13 LEU A 9 -3.930 0.644 8.073 1.00 -0.11 H new ATOM 0 HD21 LEU A 9 -6.676 0.326 9.584 1.00 -0.11 H new ATOM 0 HD22 LEU A 9 -6.355 1.600 8.383 1.00 -0.11 H new ATOM 0 HD23 LEU A 9 -7.737 0.500 8.166 1.00 -0.11 H new ATOM 127 N VAL A 10 -6.735 -0.485 3.070 1.00 -0.46 N ATOM 128 CA VAL A 10 -6.661 0.084 1.721 1.00 0.04 C ATOM 129 C VAL A 10 -8.038 0.381 1.167 1.00 0.62 C ATOM 130 O VAL A 10 -8.109 1.225 0.289 1.00 -0.50 O ATOM 131 CB VAL A 10 -5.827 -0.710 0.673 1.00 -0.01 C ATOM 132 CG1 VAL A 10 -4.388 -0.964 1.195 1.00 -0.09 C ATOM 133 CG2 VAL A 10 -6.499 -2.039 0.244 1.00 -0.09 C ATOM 0 H VAL A 10 -6.532 -1.482 3.143 1.00 -0.46 H new ATOM 0 HA VAL A 10 -6.103 1.007 1.877 1.00 0.04 H new ATOM 0 HB VAL A 10 -5.776 -0.087 -0.220 1.00 -0.01 H new ATOM 0 HG11 VAL A 10 -3.823 -1.520 0.447 1.00 -0.09 H new ATOM 0 HG12 VAL A 10 -3.897 -0.010 1.386 1.00 -0.09 H new ATOM 0 HG13 VAL A 10 -4.433 -1.541 2.119 1.00 -0.09 H new ATOM 0 HG21 VAL A 10 -5.869 -2.546 -0.487 1.00 -0.09 H new ATOM 0 HG22 VAL A 10 -6.629 -2.679 1.117 1.00 -0.09 H new ATOM 0 HG23 VAL A 10 -7.472 -1.828 -0.199 1.00 -0.09 H new ATOM 143 N ARG A 11 -9.141 -0.257 1.624 1.00 -0.46 N ATOM 144 CA ARG A 11 -10.450 0.016 1.019 1.00 0.04 C ATOM 145 C ARG A 11 -10.700 1.502 0.774 1.00 0.62 C ATOM 146 O ARG A 11 -10.908 1.841 -0.382 1.00 -0.50 O ATOM 147 CB ARG A 11 -11.646 -0.667 1.749 1.00 -0.08 C ATOM 148 CG ARG A 11 -11.653 -2.227 1.696 1.00 -0.10 C ATOM 149 CD ARG A 11 -11.964 -2.821 0.293 1.00 -0.23 C ATOM 150 NE ARG A 11 -11.881 -4.287 0.311 1.00 -0.32 N ATOM 151 CZ ARG A 11 -10.761 -4.972 0.202 1.00 0.76 C ATOM 152 NH1 ARG A 11 -9.577 -4.414 0.137 1.00 -0.62 N ATOM 153 NH2 ARG A 11 -10.824 -6.282 0.152 1.00 -0.62 N ATOM 0 H ARG A 11 -9.147 -0.939 2.382 1.00 -0.46 H new ATOM 0 HA ARG A 11 -10.397 -0.459 0.039 1.00 0.04 H new ATOM 0 HB2 ARG A 11 -11.640 -0.355 2.793 1.00 -0.08 H new ATOM 0 HB3 ARG A 11 -12.575 -0.300 1.312 1.00 -0.08 H new ATOM 0 HG2 ARG A 11 -10.681 -2.594 2.025 1.00 -0.10 H new ATOM 0 HG3 ARG A 11 -12.391 -2.599 2.406 1.00 -0.10 H new ATOM 0 HD2 ARG A 11 -12.961 -2.514 -0.023 1.00 -0.23 H new ATOM 0 HD3 ARG A 11 -11.261 -2.423 -0.438 1.00 -0.23 H new ATOM 0 HE ARG A 11 -12.750 -4.811 0.415 1.00 -0.32 H new ATOM 0 HH11 ARG A 11 -9.489 -3.398 0.170 1.00 -0.62 H new ATOM 0 HH12 ARG A 11 -8.743 -4.995 0.053 1.00 -0.62 H new ATOM 0 HH21 ARG A 11 -11.729 -6.751 0.197 1.00 -0.62 H new ATOM 0 HH22 ARG A 11 -9.968 -6.831 0.068 1.00 -0.62 H new ATOM 167 N PRO A 12 -10.678 2.451 1.747 1.00 -0.23 N ATOM 168 CA PRO A 12 -10.864 3.856 1.390 1.00 0.04 C ATOM 169 C PRO A 12 -9.761 4.378 0.492 1.00 0.53 C ATOM 170 O PRO A 12 -10.007 5.309 -0.259 1.00 -0.50 O ATOM 171 CB PRO A 12 -10.824 4.514 2.794 1.00 -0.12 C ATOM 172 CG PRO A 12 -9.989 3.531 3.647 1.00 -0.12 C ATOM 173 CD PRO A 12 -10.468 2.146 3.154 1.00 -0.01 C ATOM 0 HA PRO A 12 -11.770 4.054 0.817 1.00 0.04 H new ATOM 0 HB2 PRO A 12 -10.364 5.501 2.759 1.00 -0.12 H new ATOM 0 HB3 PRO A 12 -11.826 4.644 3.202 1.00 -0.12 H new ATOM 0 HG2 PRO A 12 -8.919 3.668 3.488 1.00 -0.12 H new ATOM 0 HG3 PRO A 12 -10.173 3.665 4.713 1.00 -0.12 H new ATOM 0 HD2 PRO A 12 -9.722 1.366 3.307 1.00 -0.01 H new ATOM 0 HD3 PRO A 12 -11.380 1.817 3.652 1.00 -0.01 H new ATOM 181 N CYS A 13 -8.534 3.811 0.533 1.00 -0.46 N ATOM 182 CA CYS A 13 -7.490 4.262 -0.386 1.00 0.04 C ATOM 183 C CYS A 13 -7.853 3.883 -1.810 1.00 0.62 C ATOM 184 O CYS A 13 -7.645 4.696 -2.697 1.00 -0.50 O ATOM 185 CB CYS A 13 -6.107 3.657 -0.024 1.00 -0.10 C ATOM 186 SG CYS A 13 -5.688 3.898 1.732 1.00 0.82 S ATOM 0 H CYS A 13 -8.258 3.066 1.173 1.00 -0.46 H new ATOM 0 HA CYS A 13 -7.419 5.346 -0.298 1.00 0.04 H new ATOM 0 HB2 CYS A 13 -6.108 2.591 -0.252 1.00 -0.10 H new ATOM 0 HB3 CYS A 13 -5.338 4.116 -0.645 1.00 -0.10 H new ATOM 191 N LEU A 14 -8.387 2.659 -2.039 1.00 -0.46 N ATOM 192 CA LEU A 14 -8.681 2.198 -3.400 1.00 0.04 C ATOM 193 C LEU A 14 -9.359 3.267 -4.233 1.00 0.62 C ATOM 194 O LEU A 14 -8.968 3.450 -5.374 1.00 -0.50 O ATOM 195 CB LEU A 14 -9.518 0.888 -3.456 1.00 -0.06 C ATOM 196 CG LEU A 14 -8.835 -0.373 -2.833 1.00 -0.01 C ATOM 197 CD1 LEU A 14 -9.736 -1.620 -3.061 1.00 -0.11 C ATOM 198 CD2 LEU A 14 -7.406 -0.649 -3.383 1.00 -0.11 C ATOM 0 H LEU A 14 -8.617 1.989 -1.305 1.00 -0.46 H new ATOM 0 HA LEU A 14 -7.703 1.977 -3.826 1.00 0.04 H new ATOM 0 HB2 LEU A 14 -10.464 1.059 -2.942 1.00 -0.06 H new ATOM 0 HB3 LEU A 14 -9.756 0.674 -4.498 1.00 -0.06 H new ATOM 0 HG LEU A 14 -8.719 -0.168 -1.769 1.00 -0.01 H new ATOM 0 HD11 LEU A 14 -9.259 -2.498 -2.626 1.00 -0.11 H new ATOM 0 HD12 LEU A 14 -10.704 -1.461 -2.586 1.00 -0.11 H new ATOM 0 HD13 LEU A 14 -9.877 -1.776 -4.130 1.00 -0.11 H new ATOM 0 HD21 LEU A 14 -6.997 -1.539 -2.904 1.00 -0.11 H new ATOM 0 HD22 LEU A 14 -7.455 -0.807 -4.460 1.00 -0.11 H new ATOM 0 HD23 LEU A 14 -6.763 0.205 -3.170 1.00 -0.11 H new ATOM 210 N SER A 15 -10.367 3.991 -3.700 1.00 -0.46 N ATOM 211 CA SER A 15 -11.042 5.007 -4.512 1.00 0.04 C ATOM 212 C SER A 15 -10.057 5.916 -5.223 1.00 0.62 C ATOM 213 O SER A 15 -10.137 6.068 -6.432 1.00 -0.50 O ATOM 214 CB SER A 15 -11.993 5.858 -3.627 1.00 0.02 C ATOM 215 OG SER A 15 -12.899 5.012 -2.899 1.00 -0.55 O ATOM 0 H SER A 15 -10.716 3.892 -2.747 1.00 -0.46 H new ATOM 0 HA SER A 15 -11.619 4.481 -5.272 1.00 0.04 H new ATOM 0 HB2 SER A 15 -11.409 6.459 -2.930 1.00 0.02 H new ATOM 0 HB3 SER A 15 -12.557 6.551 -4.252 1.00 0.02 H new ATOM 0 HG SER A 15 -13.489 5.565 -2.346 1.00 -0.55 H new ATOM 221 N TYR A 16 -9.109 6.529 -4.480 1.00 -0.46 N ATOM 222 CA TYR A 16 -8.128 7.417 -5.112 1.00 0.04 C ATOM 223 C TYR A 16 -7.039 6.601 -5.773 1.00 0.62 C ATOM 224 O TYR A 16 -6.694 6.854 -6.916 1.00 -0.50 O ATOM 225 CB TYR A 16 -7.511 8.335 -4.026 1.00 -0.10 C ATOM 226 CG TYR A 16 -6.522 9.390 -4.544 1.00 -0.03 C ATOM 227 CD1 TYR A 16 -5.213 9.040 -4.894 1.00 0.00 C ATOM 228 CD2 TYR A 16 -6.902 10.733 -4.628 1.00 0.00 C ATOM 229 CE1 TYR A 16 -4.254 10.033 -5.103 1.00 -0.26 C ATOM 230 CE2 TYR A 16 -5.947 11.729 -4.839 1.00 -0.26 C ATOM 231 CZ TYR A 16 -4.607 11.385 -5.026 1.00 0.46 C ATOM 232 OH TYR A 16 -3.649 12.394 -5.129 1.00 -0.53 O ATOM 0 H TYR A 16 -9.008 6.425 -3.470 1.00 -0.46 H new ATOM 0 HA TYR A 16 -8.620 8.023 -5.873 1.00 0.04 H new ATOM 0 HB2 TYR A 16 -8.320 8.845 -3.502 1.00 -0.10 H new ATOM 0 HB3 TYR A 16 -7.000 7.711 -3.293 1.00 -0.10 H new ATOM 0 HD1 TYR A 16 -4.944 8.000 -5.003 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -7.943 11.002 -4.529 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -3.234 9.756 -5.325 1.00 -0.26 H new ATOM 0 HE2 TYR A 16 -6.245 12.767 -4.858 1.00 -0.26 H new ATOM 0 HH TYR A 16 -3.257 12.383 -6.027 1.00 -0.53 H new ATOM 242 N VAL A 17 -6.482 5.617 -5.031 1.00 -0.46 N ATOM 243 CA VAL A 17 -5.356 4.820 -5.526 1.00 0.04 C ATOM 244 C VAL A 17 -5.638 4.247 -6.897 1.00 0.62 C ATOM 245 O VAL A 17 -4.801 4.348 -7.780 1.00 -0.50 O ATOM 246 CB VAL A 17 -5.012 3.698 -4.497 1.00 -0.01 C ATOM 247 CG1 VAL A 17 -4.264 2.488 -5.113 1.00 -0.09 C ATOM 248 CG2 VAL A 17 -4.235 4.280 -3.288 1.00 -0.09 C ATOM 0 H VAL A 17 -6.797 5.363 -4.095 1.00 -0.46 H new ATOM 0 HA VAL A 17 -4.490 5.473 -5.633 1.00 0.04 H new ATOM 0 HB VAL A 17 -5.968 3.305 -4.150 1.00 -0.01 H new ATOM 0 HG11 VAL A 17 -4.061 1.752 -4.335 1.00 -0.09 H new ATOM 0 HG12 VAL A 17 -4.881 2.035 -5.889 1.00 -0.09 H new ATOM 0 HG13 VAL A 17 -3.323 2.825 -5.548 1.00 -0.09 H new ATOM 0 HG21 VAL A 17 -4.006 3.480 -2.584 1.00 -0.09 H new ATOM 0 HG22 VAL A 17 -3.307 4.734 -3.636 1.00 -0.09 H new ATOM 0 HG23 VAL A 17 -4.845 5.036 -2.793 1.00 -0.09 H new ATOM 258 N GLN A 18 -6.823 3.636 -7.102 1.00 -0.46 N ATOM 259 CA GLN A 18 -7.145 3.126 -8.433 1.00 0.04 C ATOM 260 C GLN A 18 -7.140 4.292 -9.398 1.00 0.62 C ATOM 261 O GLN A 18 -6.483 4.217 -10.425 1.00 -0.50 O ATOM 262 CB GLN A 18 -8.508 2.383 -8.465 1.00 -0.10 C ATOM 263 CG GLN A 18 -8.448 1.053 -7.663 1.00 -0.10 C ATOM 264 CD GLN A 18 -9.781 0.350 -7.592 1.00 0.68 C ATOM 265 OE1 GLN A 18 -10.761 0.824 -8.145 1.00 -0.47 O ATOM 266 NE2 GLN A 18 -9.849 -0.806 -6.903 1.00 -0.87 N ATOM 0 H GLN A 18 -7.540 3.492 -6.391 1.00 -0.46 H new ATOM 0 HA GLN A 18 -6.394 2.391 -8.723 1.00 0.04 H new ATOM 0 HB2 GLN A 18 -9.284 3.026 -8.049 1.00 -0.10 H new ATOM 0 HB3 GLN A 18 -8.786 2.174 -9.498 1.00 -0.10 H new ATOM 0 HG2 GLN A 18 -7.717 0.389 -8.124 1.00 -0.10 H new ATOM 0 HG3 GLN A 18 -8.098 1.260 -6.652 1.00 -0.10 H new ATOM 0 HE21 GLN A 18 -9.015 -1.180 -6.450 1.00 -0.87 H new ATOM 0 HE22 GLN A 18 -10.735 -1.307 -6.834 1.00 -0.87 H new ATOM 275 N GLY A 19 -7.862 5.386 -9.064 1.00 -0.46 N ATOM 276 CA GLY A 19 -7.878 6.562 -9.932 1.00 0.04 C ATOM 277 C GLY A 19 -9.085 7.412 -9.608 1.00 0.62 C ATOM 278 O GLY A 19 -10.129 7.195 -10.203 1.00 -0.50 O ATOM 0 H GLY A 19 -8.425 5.469 -8.218 1.00 -0.46 H new ATOM 0 HA2 GLY A 19 -6.965 7.141 -9.794 1.00 0.04 H new ATOM 0 HA3 GLY A 19 -7.906 6.255 -10.977 1.00 0.04 H new ATOM 282 N GLY A 20 -8.989 8.364 -8.651 1.00 -0.46 N ATOM 283 CA GLY A 20 -10.190 9.090 -8.239 1.00 0.04 C ATOM 284 C GLY A 20 -9.920 10.192 -7.238 1.00 0.62 C ATOM 285 O GLY A 20 -8.755 10.431 -6.963 1.00 -0.50 O ATOM 0 H GLY A 20 -8.128 8.632 -8.174 1.00 -0.46 H new ATOM 0 HA2 GLY A 20 -10.664 9.520 -9.121 1.00 0.04 H new ATOM 0 HA3 GLY A 20 -10.900 8.385 -7.807 1.00 0.04 H new ATOM 289 N PRO A 21 -10.946 10.891 -6.685 1.00 -0.23 N ATOM 290 CA PRO A 21 -10.680 11.983 -5.755 1.00 0.04 C ATOM 291 C PRO A 21 -10.500 11.481 -4.341 1.00 0.53 C ATOM 292 O PRO A 21 -10.571 10.283 -4.114 1.00 -0.50 O ATOM 293 CB PRO A 21 -12.018 12.749 -5.904 1.00 -0.12 C ATOM 294 CG PRO A 21 -13.051 11.611 -6.069 1.00 -0.12 C ATOM 295 CD PRO A 21 -12.339 10.621 -7.022 1.00 -0.01 C ATOM 0 HA PRO A 21 -9.774 12.556 -5.952 1.00 0.04 H new ATOM 0 HB2 PRO A 21 -12.231 13.364 -5.030 1.00 -0.12 H new ATOM 0 HB3 PRO A 21 -12.009 13.414 -6.767 1.00 -0.12 H new ATOM 0 HG2 PRO A 21 -13.294 11.146 -5.113 1.00 -0.12 H new ATOM 0 HG3 PRO A 21 -13.987 11.975 -6.493 1.00 -0.12 H new ATOM 0 HD2 PRO A 21 -12.620 9.585 -6.830 1.00 -0.01 H new ATOM 0 HD3 PRO A 21 -12.559 10.822 -8.070 1.00 -0.01 H new ATOM 303 N GLY A 22 -10.256 12.396 -3.373 1.00 -0.46 N ATOM 304 CA GLY A 22 -10.048 11.977 -1.986 1.00 0.04 C ATOM 305 C GLY A 22 -8.600 11.583 -1.787 1.00 0.62 C ATOM 306 O GLY A 22 -7.770 12.371 -2.213 1.00 -0.50 O ATOM 0 H GLY A 22 -10.201 13.402 -3.530 1.00 -0.46 H new ATOM 0 HA2 GLY A 22 -10.311 12.788 -1.307 1.00 0.04 H new ATOM 0 HA3 GLY A 22 -10.700 11.137 -1.747 1.00 0.04 H new ATOM 310 N PRO A 23 -8.207 10.443 -1.160 1.00 -0.23 N ATOM 311 CA PRO A 23 -9.153 9.471 -0.621 1.00 0.04 C ATOM 312 C PRO A 23 -9.759 9.990 0.662 1.00 0.53 C ATOM 313 O PRO A 23 -9.438 11.097 1.064 1.00 -0.50 O ATOM 314 CB PRO A 23 -8.177 8.316 -0.289 1.00 -0.12 C ATOM 315 CG PRO A 23 -6.876 9.056 0.098 1.00 -0.12 C ATOM 316 CD PRO A 23 -6.788 10.188 -0.950 1.00 -0.01 C ATOM 0 HA PRO A 23 -9.985 9.221 -1.279 1.00 0.04 H new ATOM 0 HB2 PRO A 23 -8.547 7.698 0.529 1.00 -0.12 H new ATOM 0 HB3 PRO A 23 -8.027 7.657 -1.144 1.00 -0.12 H new ATOM 0 HG2 PRO A 23 -6.924 9.450 1.113 1.00 -0.12 H new ATOM 0 HG3 PRO A 23 -6.009 8.397 0.052 1.00 -0.12 H new ATOM 0 HD2 PRO A 23 -6.257 11.063 -0.575 1.00 -0.01 H new ATOM 0 HD3 PRO A 23 -6.281 9.874 -1.862 1.00 -0.01 H new ATOM 324 N SER A 24 -10.626 9.201 1.335 1.00 -0.46 N ATOM 325 CA SER A 24 -11.147 9.645 2.627 1.00 0.04 C ATOM 326 C SER A 24 -10.028 9.749 3.642 1.00 0.62 C ATOM 327 O SER A 24 -9.039 9.045 3.503 1.00 -0.50 O ATOM 328 CB SER A 24 -12.215 8.661 3.170 1.00 0.02 C ATOM 329 OG SER A 24 -13.223 8.487 2.159 1.00 -0.55 O ATOM 0 H SER A 24 -10.963 8.293 1.015 1.00 -0.46 H new ATOM 0 HA SER A 24 -11.604 10.623 2.473 1.00 0.04 H new ATOM 0 HB2 SER A 24 -11.758 7.703 3.419 1.00 0.02 H new ATOM 0 HB3 SER A 24 -12.659 9.050 4.086 1.00 0.02 H new ATOM 0 HG SER A 24 -13.908 7.866 2.483 1.00 -0.55 H new ATOM 335 N GLY A 25 -10.162 10.596 4.689 1.00 -0.46 N ATOM 336 CA GLY A 25 -9.117 10.661 5.713 1.00 0.04 C ATOM 337 C GLY A 25 -8.813 9.296 6.289 1.00 0.62 C ATOM 338 O GLY A 25 -7.667 9.037 6.626 1.00 -0.50 O ATOM 0 H GLY A 25 -10.956 11.219 4.837 1.00 -0.46 H new ATOM 0 HA2 GLY A 25 -8.210 11.084 5.281 1.00 0.04 H new ATOM 0 HA3 GLY A 25 -9.432 11.332 6.513 1.00 0.04 H new ATOM 342 N GLN A 26 -9.829 8.408 6.400 1.00 -0.46 N ATOM 343 CA GLN A 26 -9.577 7.050 6.883 1.00 0.04 C ATOM 344 C GLN A 26 -8.396 6.445 6.154 1.00 0.62 C ATOM 345 O GLN A 26 -7.593 5.777 6.783 1.00 -0.50 O ATOM 346 CB GLN A 26 -10.796 6.103 6.684 1.00 -0.10 C ATOM 347 CG GLN A 26 -12.043 6.473 7.536 1.00 -0.10 C ATOM 348 CD GLN A 26 -11.727 6.491 9.013 1.00 0.68 C ATOM 349 OE1 GLN A 26 -11.854 5.463 9.658 1.00 -0.47 O ATOM 350 NE2 GLN A 26 -11.306 7.637 9.587 1.00 -0.87 N ATOM 0 H GLN A 26 -10.801 8.609 6.166 1.00 -0.46 H new ATOM 0 HA GLN A 26 -9.378 7.141 7.951 1.00 0.04 H new ATOM 0 HB2 GLN A 26 -11.076 6.108 5.631 1.00 -0.10 H new ATOM 0 HB3 GLN A 26 -10.493 5.085 6.928 1.00 -0.10 H new ATOM 0 HG2 GLN A 26 -12.414 7.452 7.232 1.00 -0.10 H new ATOM 0 HG3 GLN A 26 -12.841 5.756 7.344 1.00 -0.10 H new ATOM 0 HE21 GLN A 26 -11.208 8.483 9.025 1.00 -0.87 H new ATOM 0 HE22 GLN A 26 -11.085 7.658 10.583 1.00 -0.87 H new ATOM 359 N CYS A 27 -8.248 6.664 4.829 1.00 -0.46 N ATOM 360 CA CYS A 27 -7.061 6.146 4.153 1.00 0.04 C ATOM 361 C CYS A 27 -5.810 6.784 4.711 1.00 0.62 C ATOM 362 O CYS A 27 -4.872 6.053 4.976 1.00 -0.50 O ATOM 363 CB CYS A 27 -7.080 6.432 2.632 1.00 -0.10 C ATOM 364 SG CYS A 27 -5.504 5.913 1.876 1.00 0.82 S ATOM 0 H CYS A 27 -8.906 7.172 4.238 1.00 -0.46 H new ATOM 0 HA CYS A 27 -7.064 5.069 4.322 1.00 0.04 H new ATOM 0 HB2 CYS A 27 -7.909 5.900 2.165 1.00 -0.10 H new ATOM 0 HB3 CYS A 27 -7.244 7.495 2.456 1.00 -0.10 H new ATOM 369 N CYS A 28 -5.742 8.125 4.870 1.00 -0.46 N ATOM 370 CA CYS A 28 -4.496 8.723 5.352 1.00 0.04 C ATOM 371 C CYS A 28 -4.144 8.162 6.713 1.00 0.62 C ATOM 372 O CYS A 28 -2.986 7.835 6.923 1.00 -0.50 O ATOM 373 CB CYS A 28 -4.535 10.271 5.393 1.00 -0.10 C ATOM 374 SG CYS A 28 -2.915 10.836 6.015 1.00 0.82 S ATOM 0 H CYS A 28 -6.501 8.780 4.680 1.00 -0.46 H new ATOM 0 HA CYS A 28 -3.720 8.458 4.634 1.00 0.04 H new ATOM 0 HB2 CYS A 28 -4.729 10.677 4.400 1.00 -0.10 H new ATOM 0 HB3 CYS A 28 -5.339 10.618 6.042 1.00 -0.10 H new ATOM 379 N ASP A 29 -5.115 8.022 7.641 1.00 -0.46 N ATOM 380 CA ASP A 29 -4.811 7.310 8.883 1.00 0.04 C ATOM 381 C ASP A 29 -4.340 5.915 8.520 1.00 0.62 C ATOM 382 O ASP A 29 -3.323 5.452 9.012 1.00 -0.50 O ATOM 383 CB ASP A 29 -6.053 7.237 9.810 1.00 -0.40 C ATOM 384 CG ASP A 29 -5.715 6.404 11.016 1.00 0.71 C ATOM 385 OD1 ASP A 29 -5.713 5.151 10.878 1.00 -0.72 O ATOM 386 OD2 ASP A 29 -5.436 6.991 12.095 1.00 -0.72 O ATOM 0 H ASP A 29 -6.068 8.376 7.556 1.00 -0.46 H new ATOM 0 HA ASP A 29 -4.034 7.845 9.429 1.00 0.04 H new ATOM 0 HB2 ASP A 29 -6.353 8.239 10.117 1.00 -0.40 H new ATOM 0 HB3 ASP A 29 -6.897 6.801 9.275 1.00 -0.40 H new ATOM 391 N GLY A 30 -5.074 5.233 7.616 1.00 -0.46 N ATOM 392 CA GLY A 30 -4.634 3.923 7.157 1.00 0.04 C ATOM 393 C GLY A 30 -3.206 3.955 6.672 1.00 0.62 C ATOM 394 O GLY A 30 -2.515 2.976 6.881 1.00 -0.50 O ATOM 0 H GLY A 30 -5.947 5.565 7.206 1.00 -0.46 H new ATOM 0 HA2 GLY A 30 -4.727 3.202 7.969 1.00 0.04 H new ATOM 0 HA3 GLY A 30 -5.285 3.582 6.352 1.00 0.04 H new ATOM 398 N VAL A 31 -2.710 5.033 6.025 1.00 -0.46 N ATOM 399 CA VAL A 31 -1.302 5.049 5.628 1.00 0.04 C ATOM 400 C VAL A 31 -0.435 5.046 6.869 1.00 0.62 C ATOM 401 O VAL A 31 0.531 4.296 6.916 1.00 -0.50 O ATOM 402 CB VAL A 31 -0.913 6.201 4.661 1.00 -0.01 C ATOM 403 CG1 VAL A 31 0.596 6.079 4.307 1.00 -0.09 C ATOM 404 CG2 VAL A 31 -1.750 6.143 3.351 1.00 -0.09 C ATOM 0 H VAL A 31 -3.244 5.866 5.779 1.00 -0.46 H new ATOM 0 HA VAL A 31 -1.129 4.144 5.046 1.00 0.04 H new ATOM 0 HB VAL A 31 -1.115 7.151 5.157 1.00 -0.01 H new ATOM 0 HG11 VAL A 31 0.877 6.884 3.628 1.00 -0.09 H new ATOM 0 HG12 VAL A 31 1.190 6.149 5.218 1.00 -0.09 H new ATOM 0 HG13 VAL A 31 0.780 5.118 3.826 1.00 -0.09 H new ATOM 0 HG21 VAL A 31 -1.455 6.962 2.694 1.00 -0.09 H new ATOM 0 HG22 VAL A 31 -1.573 5.192 2.848 1.00 -0.09 H new ATOM 0 HG23 VAL A 31 -2.809 6.234 3.592 1.00 -0.09 H new ATOM 414 N LYS A 32 -0.757 5.865 7.898 1.00 -0.46 N ATOM 415 CA LYS A 32 0.008 5.781 9.144 1.00 0.04 C ATOM 416 C LYS A 32 0.066 4.327 9.574 1.00 0.62 C ATOM 417 O LYS A 32 1.154 3.787 9.717 1.00 -0.50 O ATOM 418 CB LYS A 32 -0.541 6.644 10.324 1.00 -0.10 C ATOM 419 CG LYS A 32 0.177 8.012 10.502 1.00 -0.16 C ATOM 420 CD LYS A 32 -0.041 8.998 9.320 1.00 -0.18 C ATOM 421 CE LYS A 32 0.737 10.320 9.586 1.00 -0.04 C ATOM 422 NZ LYS A 32 0.501 11.341 8.539 1.00 -0.14 N ATOM 0 H LYS A 32 -1.506 6.557 7.887 1.00 -0.46 H new ATOM 0 HA LYS A 32 0.993 6.191 8.922 1.00 0.04 H new ATOM 0 HB2 LYS A 32 -1.604 6.823 10.164 1.00 -0.10 H new ATOM 0 HB3 LYS A 32 -0.449 6.075 11.249 1.00 -0.10 H new ATOM 0 HG2 LYS A 32 -0.176 8.479 11.421 1.00 -0.16 H new ATOM 0 HG3 LYS A 32 1.246 7.837 10.623 1.00 -0.16 H new ATOM 0 HD2 LYS A 32 0.300 8.545 8.389 1.00 -0.18 H new ATOM 0 HD3 LYS A 32 -1.104 9.208 9.201 1.00 -0.18 H new ATOM 0 HE2 LYS A 32 0.441 10.723 10.554 1.00 -0.04 H new ATOM 0 HE3 LYS A 32 1.804 10.104 9.644 1.00 -0.04 H new ATOM 0 HZ1 LYS A 32 1.266 11.301 7.836 1.00 -0.14 H new ATOM 0 HZ2 LYS A 32 -0.409 11.155 8.071 1.00 -0.14 H new ATOM 0 HZ3 LYS A 32 0.480 12.286 8.974 1.00 -0.14 H new ATOM 436 N ASN A 33 -1.097 3.674 9.781 1.00 -0.46 N ATOM 437 CA ASN A 33 -1.080 2.296 10.275 1.00 0.04 C ATOM 438 C ASN A 33 -0.438 1.340 9.282 1.00 0.62 C ATOM 439 O ASN A 33 0.501 0.657 9.657 1.00 -0.50 O ATOM 440 CB ASN A 33 -2.501 1.835 10.696 1.00 -0.09 C ATOM 441 CG ASN A 33 -2.946 2.587 11.928 1.00 0.68 C ATOM 442 OD1 ASN A 33 -2.538 2.209 13.014 1.00 -0.47 O ATOM 443 ND2 ASN A 33 -3.766 3.652 11.822 1.00 -0.87 N ATOM 0 H ASN A 33 -2.024 4.067 9.619 1.00 -0.46 H new ATOM 0 HA ASN A 33 -0.454 2.277 11.167 1.00 0.04 H new ATOM 0 HB2 ASN A 33 -3.204 2.007 9.881 1.00 -0.09 H new ATOM 0 HB3 ASN A 33 -2.500 0.763 10.895 1.00 -0.09 H new ATOM 0 HD21 ASN A 33 -4.056 4.158 12.659 1.00 -0.87 H new ATOM 0 HD22 ASN A 33 -4.096 3.952 10.905 1.00 -0.87 H new ATOM 450 N LEU A 34 -0.914 1.275 8.017 1.00 -0.46 N ATOM 451 CA LEU A 34 -0.339 0.374 7.009 1.00 0.04 C ATOM 452 C LEU A 34 1.167 0.272 7.150 1.00 0.62 C ATOM 453 O LEU A 34 1.679 -0.818 7.353 1.00 -0.50 O ATOM 454 CB LEU A 34 -0.665 0.828 5.550 1.00 -0.06 C ATOM 455 CG LEU A 34 -2.106 0.472 5.066 1.00 -0.01 C ATOM 456 CD1 LEU A 34 -2.568 1.388 3.898 1.00 -0.11 C ATOM 457 CD2 LEU A 34 -2.188 -1.009 4.602 1.00 -0.11 C ATOM 0 H LEU A 34 -1.694 1.838 7.677 1.00 -0.46 H new ATOM 0 HA LEU A 34 -0.796 -0.599 7.189 1.00 0.04 H new ATOM 0 HB2 LEU A 34 -0.529 1.907 5.480 1.00 -0.06 H new ATOM 0 HB3 LEU A 34 0.055 0.371 4.872 1.00 -0.06 H new ATOM 0 HG LEU A 34 -2.767 0.628 5.919 1.00 -0.01 H new ATOM 0 HD11 LEU A 34 -3.575 1.107 3.592 1.00 -0.11 H new ATOM 0 HD12 LEU A 34 -2.566 2.427 4.228 1.00 -0.11 H new ATOM 0 HD13 LEU A 34 -1.887 1.274 3.055 1.00 -0.11 H new ATOM 0 HD21 LEU A 34 -3.202 -1.231 4.270 1.00 -0.11 H new ATOM 0 HD22 LEU A 34 -1.493 -1.171 3.778 1.00 -0.11 H new ATOM 0 HD23 LEU A 34 -1.926 -1.665 5.432 1.00 -0.11 H new ATOM 469 N HIS A 35 1.906 1.401 7.043 1.00 -0.46 N ATOM 470 CA HIS A 35 3.364 1.311 7.127 1.00 0.04 C ATOM 471 C HIS A 35 3.824 0.895 8.507 1.00 0.62 C ATOM 472 O HIS A 35 4.779 0.140 8.611 1.00 -0.50 O ATOM 473 CB HIS A 35 4.088 2.595 6.641 1.00 -0.10 C ATOM 474 CG HIS A 35 4.270 3.628 7.721 1.00 0.06 C ATOM 475 ND1 HIS A 35 3.328 4.302 8.307 1.00 -0.06 N ATOM 476 CD2 HIS A 35 5.422 4.031 8.268 1.00 -0.04 C ATOM 477 CE1 HIS A 35 3.803 5.110 9.209 1.00 0.11 C ATOM 478 NE2 HIS A 35 5.089 4.921 9.156 1.00 -0.06 N ATOM 0 H HIS A 35 1.530 2.339 6.905 1.00 -0.46 H new ATOM 0 HA HIS A 35 3.654 0.523 6.432 1.00 0.04 H new ATOM 0 HB2 HIS A 35 5.065 2.322 6.242 1.00 -0.10 H new ATOM 0 HB3 HIS A 35 3.520 3.034 5.821 1.00 -0.10 H new ATOM 0 HD1 HIS A 35 2.336 4.209 8.087 1.00 -0.06 H new ATOM 0 HD2 HIS A 35 6.417 3.690 8.024 1.00 -0.04 H new ATOM 0 HE1 HIS A 35 3.256 5.782 9.853 1.00 0.11 H new ATOM 487 N ASN A 36 3.159 1.366 9.585 1.00 -0.46 N ATOM 488 CA ASN A 36 3.556 0.929 10.924 1.00 0.04 C ATOM 489 C ASN A 36 3.470 -0.582 11.031 1.00 0.62 C ATOM 490 O ASN A 36 4.332 -1.174 11.660 1.00 -0.50 O ATOM 491 CB ASN A 36 2.648 1.561 12.014 1.00 -0.09 C ATOM 492 CG ASN A 36 3.131 1.305 13.421 1.00 0.68 C ATOM 493 OD1 ASN A 36 4.252 0.865 13.613 1.00 -0.47 O ATOM 494 ND2 ASN A 36 2.298 1.587 14.444 1.00 -0.87 N ATOM 0 H ASN A 36 2.378 2.021 9.552 1.00 -0.46 H new ATOM 0 HA ASN A 36 4.583 1.256 11.085 1.00 0.04 H new ATOM 0 HB2 ASN A 36 2.589 2.637 11.848 1.00 -0.09 H new ATOM 0 HB3 ASN A 36 1.637 1.167 11.908 1.00 -0.09 H new ATOM 0 HD21 ASN A 36 2.601 1.433 15.406 1.00 -0.87 H new ATOM 0 HD22 ASN A 36 1.365 1.954 14.256 1.00 -0.87 H new ATOM 501 N GLN A 37 2.446 -1.223 10.417 1.00 -0.46 N ATOM 502 CA GLN A 37 2.303 -2.684 10.494 1.00 0.04 C ATOM 503 C GLN A 37 3.009 -3.421 9.372 1.00 0.62 C ATOM 504 O GLN A 37 2.526 -4.460 8.951 1.00 -0.50 O ATOM 505 CB GLN A 37 0.806 -3.095 10.645 1.00 -0.10 C ATOM 506 CG GLN A 37 -0.069 -2.836 9.384 1.00 -0.10 C ATOM 507 CD GLN A 37 -1.512 -3.227 9.579 1.00 0.68 C ATOM 508 OE1 GLN A 37 -1.926 -3.491 10.695 1.00 -0.47 O ATOM 509 NE2 GLN A 37 -2.321 -3.260 8.501 1.00 -0.87 N ATOM 0 H GLN A 37 1.722 -0.754 9.873 1.00 -0.46 H new ATOM 0 HA GLN A 37 2.820 -3.002 11.399 1.00 0.04 H new ATOM 0 HB2 GLN A 37 0.758 -4.155 10.893 1.00 -0.10 H new ATOM 0 HB3 GLN A 37 0.377 -2.551 11.486 1.00 -0.10 H new ATOM 0 HG2 GLN A 37 -0.017 -1.779 9.123 1.00 -0.10 H new ATOM 0 HG3 GLN A 37 0.342 -3.393 8.542 1.00 -0.10 H new ATOM 0 HE21 GLN A 37 -1.950 -3.035 7.578 1.00 -0.87 H new ATOM 0 HE22 GLN A 37 -3.304 -3.510 8.609 1.00 -0.87 H new ATOM 518 N ALA A 38 4.167 -2.924 8.879 1.00 -0.46 N ATOM 519 CA ALA A 38 4.887 -3.623 7.812 1.00 0.04 C ATOM 520 C ALA A 38 6.377 -3.411 7.939 1.00 0.62 C ATOM 521 O ALA A 38 7.021 -2.974 6.997 1.00 -0.50 O ATOM 522 CB ALA A 38 4.325 -3.127 6.472 1.00 -0.10 C ATOM 0 H ALA A 38 4.607 -2.062 9.200 1.00 -0.46 H new ATOM 0 HA ALA A 38 4.739 -4.701 7.881 1.00 0.04 H new ATOM 0 HB1 ALA A 38 4.841 -3.629 5.653 1.00 -0.10 H new ATOM 0 HB2 ALA A 38 3.259 -3.349 6.420 1.00 -0.10 H new ATOM 0 HB3 ALA A 38 4.476 -2.051 6.390 1.00 -0.10 H new ATOM 528 N ARG A 39 6.918 -3.725 9.136 1.00 -0.46 N ATOM 529 CA ARG A 39 8.341 -3.518 9.410 1.00 0.04 C ATOM 530 C ARG A 39 9.058 -4.843 9.582 1.00 0.62 C ATOM 531 O ARG A 39 10.088 -5.032 8.953 1.00 -0.50 O ATOM 532 CB ARG A 39 8.492 -2.622 10.670 1.00 -0.08 C ATOM 533 CG ARG A 39 7.629 -1.326 10.615 1.00 -0.10 C ATOM 534 CD ARG A 39 7.960 -0.385 9.421 1.00 -0.23 C ATOM 535 NE ARG A 39 9.402 -0.117 9.347 1.00 -0.32 N ATOM 536 CZ ARG A 39 10.044 0.743 10.109 1.00 0.76 C ATOM 537 NH1 ARG A 39 9.462 1.474 11.028 1.00 -0.62 N ATOM 538 NH2 ARG A 39 11.338 0.884 9.947 1.00 -0.62 N ATOM 0 H ARG A 39 6.390 -4.118 9.915 1.00 -0.46 H new ATOM 0 HA ARG A 39 8.804 -3.014 8.562 1.00 0.04 H new ATOM 0 HB2 ARG A 39 8.213 -3.198 11.552 1.00 -0.08 H new ATOM 0 HB3 ARG A 39 9.540 -2.347 10.788 1.00 -0.08 H new ATOM 0 HG2 ARG A 39 6.577 -1.606 10.560 1.00 -0.10 H new ATOM 0 HG3 ARG A 39 7.764 -0.774 11.545 1.00 -0.10 H new ATOM 0 HD2 ARG A 39 7.623 -0.840 8.490 1.00 -0.23 H new ATOM 0 HD3 ARG A 39 7.417 0.554 9.532 1.00 -0.23 H new ATOM 0 HE ARG A 39 9.945 -0.634 8.656 1.00 -0.32 H new ATOM 0 HH11 ARG A 39 8.457 1.393 11.183 1.00 -0.62 H new ATOM 0 HH12 ARG A 39 10.014 2.124 11.588 1.00 -0.62 H new ATOM 0 HH21 ARG A 39 11.827 0.333 9.241 1.00 -0.62 H new ATOM 0 HH22 ARG A 39 11.856 1.545 10.527 1.00 -0.62 H new ATOM 552 N SER A 40 8.558 -5.787 10.415 1.00 -0.46 N ATOM 553 CA SER A 40 9.263 -7.062 10.554 1.00 0.04 C ATOM 554 C SER A 40 9.244 -7.791 9.228 1.00 0.62 C ATOM 555 O SER A 40 8.339 -7.565 8.439 1.00 -0.50 O ATOM 556 CB SER A 40 8.678 -7.935 11.698 1.00 0.02 C ATOM 557 OG SER A 40 9.476 -9.100 11.969 1.00 -0.55 O ATOM 0 H SER A 40 7.709 -5.690 10.972 1.00 -0.46 H new ATOM 0 HA SER A 40 10.297 -6.857 10.833 1.00 0.04 H new ATOM 0 HB2 SER A 40 8.599 -7.334 12.604 1.00 0.02 H new ATOM 0 HB3 SER A 40 7.667 -8.245 11.433 1.00 0.02 H new ATOM 0 HG SER A 40 9.068 -9.614 12.696 1.00 -0.55 H new ATOM 563 N GLN A 41 10.235 -8.666 8.943 1.00 -0.46 N ATOM 564 CA GLN A 41 10.260 -9.335 7.642 1.00 0.04 C ATOM 565 C GLN A 41 8.945 -10.050 7.418 1.00 0.62 C ATOM 566 O GLN A 41 8.292 -9.788 6.419 1.00 -0.50 O ATOM 567 CB GLN A 41 11.470 -10.300 7.489 1.00 -0.10 C ATOM 568 CG GLN A 41 12.819 -9.529 7.442 1.00 -0.10 C ATOM 569 CD GLN A 41 14.015 -10.426 7.232 1.00 0.68 C ATOM 570 OE1 GLN A 41 13.868 -11.631 7.106 1.00 -0.47 O ATOM 571 NE2 GLN A 41 15.236 -9.855 7.189 1.00 -0.87 N ATOM 0 H GLN A 41 10.996 -8.913 9.575 1.00 -0.46 H new ATOM 0 HA GLN A 41 10.389 -8.574 6.872 1.00 0.04 H new ATOM 0 HB2 GLN A 41 11.482 -11.003 8.322 1.00 -0.10 H new ATOM 0 HB3 GLN A 41 11.354 -10.887 6.578 1.00 -0.10 H new ATOM 0 HG2 GLN A 41 12.781 -8.793 6.639 1.00 -0.10 H new ATOM 0 HG3 GLN A 41 12.947 -8.978 8.374 1.00 -0.10 H new ATOM 0 HE21 GLN A 41 15.331 -8.845 7.297 1.00 -0.87 H new ATOM 0 HE22 GLN A 41 16.065 -10.433 7.048 1.00 -0.87 H new ATOM 580 N SER A 42 8.518 -10.938 8.343 1.00 -0.46 N ATOM 581 CA SER A 42 7.226 -11.606 8.171 1.00 0.04 C ATOM 582 C SER A 42 6.144 -10.617 7.797 1.00 0.62 C ATOM 583 O SER A 42 5.407 -10.869 6.856 1.00 -0.50 O ATOM 584 CB SER A 42 6.775 -12.331 9.467 1.00 0.02 C ATOM 585 OG SER A 42 5.455 -12.881 9.313 1.00 -0.55 O ATOM 0 H SER A 42 9.033 -11.197 9.184 1.00 -0.46 H new ATOM 0 HA SER A 42 7.366 -12.334 7.372 1.00 0.04 H new ATOM 0 HB2 SER A 42 7.480 -13.127 9.707 1.00 0.02 H new ATOM 0 HB3 SER A 42 6.787 -11.632 10.303 1.00 0.02 H new ATOM 0 HG SER A 42 5.191 -13.335 10.141 1.00 -0.55 H new ATOM 591 N ASP A 43 6.037 -9.475 8.511 1.00 -0.46 N ATOM 592 CA ASP A 43 4.988 -8.512 8.183 1.00 0.04 C ATOM 593 C ASP A 43 5.116 -8.080 6.735 1.00 0.62 C ATOM 594 O ASP A 43 4.134 -8.035 6.009 1.00 -0.50 O ATOM 595 CB ASP A 43 5.054 -7.237 9.071 1.00 -0.40 C ATOM 596 CG ASP A 43 5.230 -7.472 10.544 1.00 0.71 C ATOM 597 OD1 ASP A 43 4.902 -8.588 11.024 1.00 -0.72 O ATOM 598 OD2 ASP A 43 5.723 -6.529 11.226 1.00 -0.72 O ATOM 0 H ASP A 43 6.644 -9.212 9.288 1.00 -0.46 H new ATOM 0 HA ASP A 43 4.037 -9.014 8.362 1.00 0.04 H new ATOM 0 HB2 ASP A 43 5.879 -6.616 8.721 1.00 -0.40 H new ATOM 0 HB3 ASP A 43 4.138 -6.665 8.921 1.00 -0.40 H new ATOM 603 N ARG A 44 6.353 -7.751 6.299 1.00 -0.46 N ATOM 604 CA ARG A 44 6.558 -7.300 4.922 1.00 0.04 C ATOM 605 C ARG A 44 6.221 -8.418 3.957 1.00 0.62 C ATOM 606 O ARG A 44 5.678 -8.129 2.902 1.00 -0.50 O ATOM 607 CB ARG A 44 8.017 -6.809 4.713 1.00 -0.08 C ATOM 608 CG ARG A 44 8.316 -5.528 5.547 1.00 -0.10 C ATOM 609 CD ARG A 44 9.843 -5.284 5.676 1.00 -0.23 C ATOM 610 NE ARG A 44 10.462 -5.167 4.350 1.00 -0.32 N ATOM 611 CZ ARG A 44 10.584 -4.043 3.678 1.00 0.76 C ATOM 612 NH1 ARG A 44 10.097 -2.896 4.085 1.00 -0.62 N ATOM 613 NH2 ARG A 44 11.225 -4.057 2.535 1.00 -0.62 N ATOM 0 H ARG A 44 7.197 -7.790 6.870 1.00 -0.46 H new ATOM 0 HA ARG A 44 5.893 -6.458 4.727 1.00 0.04 H new ATOM 0 HB2 ARG A 44 8.712 -7.599 4.997 1.00 -0.08 H new ATOM 0 HB3 ARG A 44 8.184 -6.603 3.656 1.00 -0.08 H new ATOM 0 HG2 ARG A 44 7.846 -4.666 5.074 1.00 -0.10 H new ATOM 0 HG3 ARG A 44 7.876 -5.626 6.539 1.00 -0.10 H new ATOM 0 HD2 ARG A 44 10.024 -4.375 6.249 1.00 -0.23 H new ATOM 0 HD3 ARG A 44 10.303 -6.105 6.227 1.00 -0.23 H new ATOM 0 HE ARG A 44 10.823 -6.018 3.919 1.00 -0.32 H new ATOM 0 HH11 ARG A 44 9.590 -2.842 4.969 1.00 -0.62 H new ATOM 0 HH12 ARG A 44 10.225 -2.058 3.518 1.00 -0.62 H new ATOM 0 HH21 ARG A 44 11.619 -4.929 2.182 1.00 -0.62 H new ATOM 0 HH22 ARG A 44 11.330 -3.196 1.999 1.00 -0.62 H new ATOM 627 N GLN A 45 6.511 -9.701 4.276 1.00 -0.46 N ATOM 628 CA GLN A 45 6.077 -10.781 3.387 1.00 0.04 C ATOM 629 C GLN A 45 4.562 -10.812 3.356 1.00 0.62 C ATOM 630 O GLN A 45 3.990 -10.821 2.277 1.00 -0.50 O ATOM 631 CB GLN A 45 6.596 -12.193 3.783 1.00 -0.10 C ATOM 632 CG GLN A 45 8.098 -12.430 3.460 1.00 -0.10 C ATOM 633 CD GLN A 45 9.032 -11.625 4.329 1.00 0.68 C ATOM 634 OE1 GLN A 45 9.463 -12.134 5.351 1.00 -0.47 O ATOM 635 NE2 GLN A 45 9.373 -10.372 3.965 1.00 -0.87 N ATOM 0 H GLN A 45 7.022 -9.997 5.108 1.00 -0.46 H new ATOM 0 HA GLN A 45 6.506 -10.559 2.410 1.00 0.04 H new ATOM 0 HB2 GLN A 45 6.437 -12.340 4.851 1.00 -0.10 H new ATOM 0 HB3 GLN A 45 6.001 -12.946 3.266 1.00 -0.10 H new ATOM 0 HG2 GLN A 45 8.325 -13.489 3.580 1.00 -0.10 H new ATOM 0 HG3 GLN A 45 8.281 -12.181 2.415 1.00 -0.10 H new ATOM 0 HE21 GLN A 45 8.998 -9.971 3.105 1.00 -0.87 H new ATOM 0 HE22 GLN A 45 10.006 -9.826 4.549 1.00 -0.87 H new ATOM 644 N SER A 46 3.885 -10.831 4.527 1.00 -0.46 N ATOM 645 CA SER A 46 2.422 -10.851 4.529 1.00 0.04 C ATOM 646 C SER A 46 1.887 -9.762 3.628 1.00 0.62 C ATOM 647 O SER A 46 1.046 -10.026 2.782 1.00 -0.50 O ATOM 648 CB SER A 46 1.858 -10.658 5.960 1.00 0.02 C ATOM 649 OG SER A 46 2.339 -11.731 6.788 1.00 -0.55 O ATOM 0 H SER A 46 4.320 -10.833 5.450 1.00 -0.46 H new ATOM 0 HA SER A 46 2.102 -11.825 4.160 1.00 0.04 H new ATOM 0 HB2 SER A 46 2.173 -9.696 6.365 1.00 0.02 H new ATOM 0 HB3 SER A 46 0.768 -10.654 5.940 1.00 0.02 H new ATOM 0 HG SER A 46 3.295 -11.606 6.963 1.00 -0.55 H new ATOM 655 N ALA A 47 2.382 -8.515 3.791 1.00 -0.46 N ATOM 656 CA ALA A 47 1.908 -7.442 2.924 1.00 0.04 C ATOM 657 C ALA A 47 2.274 -7.739 1.487 1.00 0.62 C ATOM 658 O ALA A 47 1.403 -7.634 0.640 1.00 -0.50 O ATOM 659 CB ALA A 47 2.477 -6.063 3.335 1.00 -0.10 C ATOM 0 H ALA A 47 3.078 -8.245 4.486 1.00 -0.46 H new ATOM 0 HA ALA A 47 0.824 -7.395 3.029 1.00 0.04 H new ATOM 0 HB1 ALA A 47 2.096 -5.296 2.660 1.00 -0.10 H new ATOM 0 HB2 ALA A 47 2.171 -5.833 4.356 1.00 -0.10 H new ATOM 0 HB3 ALA A 47 3.565 -6.087 3.279 1.00 -0.10 H new ATOM 665 N CYS A 48 3.535 -8.118 1.171 1.00 -0.46 N ATOM 666 CA CYS A 48 3.893 -8.396 -0.222 1.00 0.04 C ATOM 667 C CYS A 48 2.896 -9.330 -0.864 1.00 0.62 C ATOM 668 O CYS A 48 2.447 -9.045 -1.962 1.00 -0.50 O ATOM 669 CB CYS A 48 5.292 -9.049 -0.365 1.00 -0.10 C ATOM 670 SG CYS A 48 5.628 -9.546 -2.093 1.00 0.82 S ATOM 0 H CYS A 48 4.293 -8.233 1.844 1.00 -0.46 H new ATOM 0 HA CYS A 48 3.896 -7.425 -0.717 1.00 0.04 H new ATOM 0 HB2 CYS A 48 6.057 -8.348 -0.032 1.00 -0.10 H new ATOM 0 HB3 CYS A 48 5.355 -9.922 0.284 1.00 -0.10 H new ATOM 675 N ASN A 49 2.546 -10.455 -0.207 1.00 -0.46 N ATOM 676 CA ASN A 49 1.557 -11.350 -0.804 1.00 0.04 C ATOM 677 C ASN A 49 0.278 -10.573 -1.030 1.00 0.62 C ATOM 678 O ASN A 49 -0.304 -10.661 -2.100 1.00 -0.50 O ATOM 679 CB ASN A 49 1.293 -12.598 0.080 1.00 -0.09 C ATOM 680 CG ASN A 49 2.546 -13.439 0.155 1.00 0.68 C ATOM 681 OD1 ASN A 49 2.814 -14.170 -0.785 1.00 -0.47 O ATOM 682 ND2 ASN A 49 3.352 -13.366 1.233 1.00 -0.87 N ATOM 0 H ASN A 49 2.918 -10.749 0.696 1.00 -0.46 H new ATOM 0 HA ASN A 49 1.945 -11.719 -1.754 1.00 0.04 H new ATOM 0 HB2 ASN A 49 0.989 -12.290 1.080 1.00 -0.09 H new ATOM 0 HB3 ASN A 49 0.474 -13.184 -0.336 1.00 -0.09 H new ATOM 0 HD21 ASN A 49 4.203 -13.928 1.273 1.00 -0.87 H new ATOM 0 HD22 ASN A 49 3.111 -12.749 2.009 1.00 -0.87 H new ATOM 689 N CYS A 50 -0.165 -9.780 -0.029 1.00 -0.46 N ATOM 690 CA CYS A 50 -1.376 -8.984 -0.223 1.00 0.04 C ATOM 691 C CYS A 50 -1.222 -8.049 -1.404 1.00 0.62 C ATOM 692 O CYS A 50 -2.167 -7.900 -2.162 1.00 -0.50 O ATOM 693 CB CYS A 50 -1.736 -8.150 1.037 1.00 -0.10 C ATOM 694 SG CYS A 50 -3.532 -7.856 1.165 1.00 0.82 S ATOM 0 H CYS A 50 0.283 -9.681 0.882 1.00 -0.46 H new ATOM 0 HA CYS A 50 -2.184 -9.690 -0.413 1.00 0.04 H new ATOM 0 HB2 CYS A 50 -1.389 -8.671 1.929 1.00 -0.10 H new ATOM 0 HB3 CYS A 50 -1.213 -7.194 1.002 1.00 -0.10 H new ATOM 699 N LEU A 51 -0.042 -7.409 -1.577 1.00 -0.46 N ATOM 700 CA LEU A 51 0.156 -6.535 -2.731 1.00 0.04 C ATOM 701 C LEU A 51 -0.069 -7.350 -3.983 1.00 0.62 C ATOM 702 O LEU A 51 -0.735 -6.880 -4.890 1.00 -0.50 O ATOM 703 CB LEU A 51 1.593 -5.974 -2.916 1.00 -0.06 C ATOM 704 CG LEU A 51 2.176 -5.102 -1.772 1.00 -0.01 C ATOM 705 CD1 LEU A 51 3.651 -4.757 -2.127 1.00 -0.11 C ATOM 706 CD2 LEU A 51 1.361 -3.800 -1.539 1.00 -0.11 C ATOM 0 H LEU A 51 0.757 -7.484 -0.948 1.00 -0.46 H new ATOM 0 HA LEU A 51 -0.529 -5.704 -2.562 1.00 0.04 H new ATOM 0 HB2 LEU A 51 2.266 -6.817 -3.072 1.00 -0.06 H new ATOM 0 HB3 LEU A 51 1.607 -5.382 -3.831 1.00 -0.06 H new ATOM 0 HG LEU A 51 2.121 -5.669 -0.843 1.00 -0.01 H new ATOM 0 HD11 LEU A 51 4.082 -4.144 -1.336 1.00 -0.11 H new ATOM 0 HD12 LEU A 51 4.226 -5.678 -2.226 1.00 -0.11 H new ATOM 0 HD13 LEU A 51 3.680 -4.208 -3.068 1.00 -0.11 H new ATOM 0 HD21 LEU A 51 1.813 -3.228 -0.728 1.00 -0.11 H new ATOM 0 HD22 LEU A 51 1.363 -3.202 -2.450 1.00 -0.11 H new ATOM 0 HD23 LEU A 51 0.335 -4.055 -1.275 1.00 -0.11 H new ATOM 718 N LYS A 52 0.498 -8.574 -4.069 1.00 -0.46 N ATOM 719 CA LYS A 52 0.352 -9.325 -5.311 1.00 0.04 C ATOM 720 C LYS A 52 -1.119 -9.558 -5.567 1.00 0.62 C ATOM 721 O LYS A 52 -1.576 -9.335 -6.677 1.00 -0.50 O ATOM 722 CB LYS A 52 1.147 -10.658 -5.357 1.00 -0.10 C ATOM 723 CG LYS A 52 2.668 -10.436 -5.111 1.00 -0.16 C ATOM 724 CD LYS A 52 3.529 -11.549 -5.765 1.00 -0.18 C ATOM 725 CE LYS A 52 5.033 -11.376 -5.415 1.00 -0.04 C ATOM 726 NZ LYS A 52 5.884 -12.197 -6.309 1.00 -0.14 N ATOM 0 H LYS A 52 1.031 -9.034 -3.331 1.00 -0.46 H new ATOM 0 HA LYS A 52 0.791 -8.720 -6.104 1.00 0.04 H new ATOM 0 HB2 LYS A 52 0.754 -11.341 -4.604 1.00 -0.10 H new ATOM 0 HB3 LYS A 52 1.002 -11.134 -6.327 1.00 -0.10 H new ATOM 0 HG2 LYS A 52 2.963 -9.466 -5.512 1.00 -0.16 H new ATOM 0 HG3 LYS A 52 2.862 -10.410 -4.039 1.00 -0.16 H new ATOM 0 HD2 LYS A 52 3.184 -12.526 -5.425 1.00 -0.18 H new ATOM 0 HD3 LYS A 52 3.400 -11.524 -6.847 1.00 -0.18 H new ATOM 0 HE2 LYS A 52 5.312 -10.326 -5.504 1.00 -0.04 H new ATOM 0 HE3 LYS A 52 5.204 -11.665 -4.378 1.00 -0.04 H new ATOM 0 HZ1 LYS A 52 6.884 -11.963 -6.147 1.00 -0.14 H new ATOM 0 HZ2 LYS A 52 5.727 -13.205 -6.108 1.00 -0.14 H new ATOM 0 HZ3 LYS A 52 5.638 -11.999 -7.300 1.00 -0.14 H new ATOM 740 N GLY A 53 -1.881 -9.987 -4.537 1.00 -0.46 N ATOM 741 CA GLY A 53 -3.316 -10.170 -4.733 1.00 0.04 C ATOM 742 C GLY A 53 -4.005 -8.883 -5.132 1.00 0.62 C ATOM 743 O GLY A 53 -4.799 -8.908 -6.059 1.00 -0.50 O ATOM 0 H GLY A 53 -1.535 -10.203 -3.602 1.00 -0.46 H new ATOM 0 HA2 GLY A 53 -3.483 -10.924 -5.502 1.00 0.04 H new ATOM 0 HA3 GLY A 53 -3.762 -10.549 -3.813 1.00 0.04 H new ATOM 747 N ILE A 54 -3.735 -7.755 -4.433 1.00 -0.46 N ATOM 748 CA ILE A 54 -4.462 -6.513 -4.710 1.00 0.04 C ATOM 749 C ILE A 54 -3.707 -5.674 -5.723 1.00 0.62 C ATOM 750 O ILE A 54 -4.213 -5.452 -6.810 1.00 -0.50 O ATOM 751 CB ILE A 54 -4.758 -5.692 -3.414 1.00 -0.01 C ATOM 752 CG1 ILE A 54 -5.498 -6.556 -2.346 1.00 -0.05 C ATOM 753 CG2 ILE A 54 -5.576 -4.418 -3.778 1.00 -0.09 C ATOM 754 CD1 ILE A 54 -5.645 -5.843 -0.973 1.00 -0.09 C ATOM 0 H ILE A 54 -3.036 -7.688 -3.693 1.00 -0.46 H new ATOM 0 HA ILE A 54 -5.428 -6.791 -5.131 1.00 0.04 H new ATOM 0 HB ILE A 54 -3.810 -5.387 -2.971 1.00 -0.01 H new ATOM 0 HG12 ILE A 54 -6.488 -6.815 -2.721 1.00 -0.05 H new ATOM 0 HG13 ILE A 54 -4.956 -7.491 -2.206 1.00 -0.05 H new ATOM 0 HG21 ILE A 54 -5.782 -3.847 -2.873 1.00 -0.09 H new ATOM 0 HG22 ILE A 54 -5.003 -3.804 -4.473 1.00 -0.09 H new ATOM 0 HG23 ILE A 54 -6.517 -4.711 -4.244 1.00 -0.09 H new ATOM 0 HD11 ILE A 54 -6.168 -6.499 -0.277 1.00 -0.09 H new ATOM 0 HD12 ILE A 54 -4.657 -5.608 -0.577 1.00 -0.09 H new ATOM 0 HD13 ILE A 54 -6.213 -4.922 -1.100 1.00 -0.09 H new ATOM 766 N ALA A 55 -2.496 -5.172 -5.403 1.00 -0.46 N ATOM 767 CA ALA A 55 -1.824 -4.233 -6.299 1.00 0.04 C ATOM 768 C ALA A 55 -1.518 -4.868 -7.637 1.00 0.62 C ATOM 769 O ALA A 55 -2.000 -4.386 -8.649 1.00 -0.50 O ATOM 770 CB ALA A 55 -0.500 -3.689 -5.696 1.00 -0.10 C ATOM 0 H ALA A 55 -1.982 -5.399 -4.552 1.00 -0.46 H new ATOM 0 HA ALA A 55 -2.517 -3.403 -6.435 1.00 0.04 H new ATOM 0 HB1 ALA A 55 -0.038 -2.996 -6.399 1.00 -0.10 H new ATOM 0 HB2 ALA A 55 -0.712 -3.170 -4.761 1.00 -0.10 H new ATOM 0 HB3 ALA A 55 0.181 -4.519 -5.505 1.00 -0.10 H new ATOM 776 N ARG A 56 -0.702 -5.946 -7.679 1.00 -0.46 N ATOM 777 CA ARG A 56 -0.269 -6.467 -8.977 1.00 0.04 C ATOM 778 C ARG A 56 -1.446 -7.128 -9.659 1.00 0.62 C ATOM 779 O ARG A 56 -1.627 -6.937 -10.851 1.00 -0.50 O ATOM 780 CB ARG A 56 0.944 -7.430 -8.836 1.00 -0.08 C ATOM 781 CG ARG A 56 1.708 -7.640 -10.173 1.00 -0.10 C ATOM 782 CD ARG A 56 3.041 -8.411 -9.955 1.00 -0.23 C ATOM 783 NE ARG A 56 3.750 -8.634 -11.221 1.00 -0.32 N ATOM 784 CZ ARG A 56 4.935 -9.199 -11.310 1.00 0.76 C ATOM 785 NH1 ARG A 56 5.603 -9.628 -10.267 1.00 -0.62 N ATOM 786 NH2 ARG A 56 5.483 -9.344 -12.492 1.00 -0.62 N ATOM 0 H ARG A 56 -0.348 -6.447 -6.864 1.00 -0.46 H new ATOM 0 HA ARG A 56 0.078 -5.641 -9.598 1.00 0.04 H new ATOM 0 HB2 ARG A 56 1.631 -7.033 -8.089 1.00 -0.08 H new ATOM 0 HB3 ARG A 56 0.595 -8.395 -8.468 1.00 -0.08 H new ATOM 0 HG2 ARG A 56 1.078 -8.192 -10.870 1.00 -0.10 H new ATOM 0 HG3 ARG A 56 1.917 -6.672 -10.629 1.00 -0.10 H new ATOM 0 HD2 ARG A 56 3.680 -7.849 -9.274 1.00 -0.23 H new ATOM 0 HD3 ARG A 56 2.834 -9.370 -9.480 1.00 -0.23 H new ATOM 0 HE ARG A 56 3.297 -8.333 -12.084 1.00 -0.32 H new ATOM 0 HH11 ARG A 56 5.207 -9.531 -9.332 1.00 -0.62 H new ATOM 0 HH12 ARG A 56 6.519 -10.059 -10.390 1.00 -0.62 H new ATOM 0 HH21 ARG A 56 4.991 -9.021 -13.325 1.00 -0.62 H new ATOM 0 HH22 ARG A 56 6.401 -9.780 -12.578 1.00 -0.62 H new ATOM 800 N GLY A 57 -2.270 -7.896 -8.909 1.00 -0.46 N ATOM 801 CA GLY A 57 -3.478 -8.467 -9.500 1.00 0.04 C ATOM 802 C GLY A 57 -4.294 -7.387 -10.172 1.00 0.62 C ATOM 803 O GLY A 57 -4.700 -7.569 -11.310 1.00 -0.50 O ATOM 0 H GLY A 57 -2.119 -8.123 -7.926 1.00 -0.46 H new ATOM 0 HA2 GLY A 57 -3.208 -9.234 -10.226 1.00 0.04 H new ATOM 0 HA3 GLY A 57 -4.073 -8.955 -8.728 1.00 0.04 H new ATOM 807 N ILE A 58 -4.533 -6.241 -9.492 1.00 -0.46 N ATOM 808 CA ILE A 58 -5.205 -5.122 -10.155 1.00 0.04 C ATOM 809 C ILE A 58 -4.145 -4.471 -11.017 1.00 0.62 C ATOM 810 O ILE A 58 -3.631 -3.422 -10.658 1.00 -0.50 O ATOM 811 CB ILE A 58 -5.877 -4.133 -9.149 1.00 -0.01 C ATOM 812 CG1 ILE A 58 -6.923 -4.892 -8.271 1.00 -0.05 C ATOM 813 CG2 ILE A 58 -6.556 -2.943 -9.893 1.00 -0.09 C ATOM 814 CD1 ILE A 58 -7.510 -4.023 -7.128 1.00 -0.09 C ATOM 0 H ILE A 58 -4.277 -6.078 -8.518 1.00 -0.46 H new ATOM 0 HA ILE A 58 -6.043 -5.465 -10.761 1.00 0.04 H new ATOM 0 HB ILE A 58 -5.099 -3.723 -8.505 1.00 -0.01 H new ATOM 0 HG12 ILE A 58 -7.736 -5.241 -8.907 1.00 -0.05 H new ATOM 0 HG13 ILE A 58 -6.453 -5.776 -7.841 1.00 -0.05 H new ATOM 0 HG21 ILE A 58 -7.014 -2.273 -9.166 1.00 -0.09 H new ATOM 0 HG22 ILE A 58 -5.807 -2.398 -10.467 1.00 -0.09 H new ATOM 0 HG23 ILE A 58 -7.322 -3.325 -10.567 1.00 -0.09 H new ATOM 0 HD11 ILE A 58 -8.229 -4.610 -6.557 1.00 -0.09 H new ATOM 0 HD12 ILE A 58 -6.705 -3.695 -6.470 1.00 -0.09 H new ATOM 0 HD13 ILE A 58 -8.009 -3.152 -7.553 1.00 -0.09 H new ATOM 826 N HIS A 59 -3.793 -5.065 -12.182 1.00 -0.46 N ATOM 827 CA HIS A 59 -2.838 -4.412 -13.083 1.00 0.04 C ATOM 828 C HIS A 59 -3.567 -3.288 -13.794 1.00 0.62 C ATOM 829 O HIS A 59 -3.738 -3.341 -15.002 1.00 -0.50 O ATOM 830 CB HIS A 59 -2.232 -5.442 -14.076 1.00 -0.10 C ATOM 831 CG HIS A 59 -1.197 -4.856 -15.005 1.00 0.06 C ATOM 832 ND1 HIS A 59 -0.629 -5.519 -15.970 1.00 -0.06 N ATOM 833 CD2 HIS A 59 -0.678 -3.624 -15.038 1.00 -0.04 C ATOM 834 CE1 HIS A 59 0.224 -4.788 -16.624 1.00 0.11 C ATOM 835 NE2 HIS A 59 0.169 -3.634 -16.027 1.00 -0.06 N ATOM 0 H HIS A 59 -4.147 -5.965 -12.505 1.00 -0.46 H new ATOM 0 HA HIS A 59 -1.999 -3.997 -12.525 1.00 0.04 H new ATOM 0 HB2 HIS A 59 -1.779 -6.256 -13.510 1.00 -0.10 H new ATOM 0 HB3 HIS A 59 -3.036 -5.876 -14.670 1.00 -0.10 H new ATOM 0 HD2 HIS A 59 -0.912 -2.797 -14.384 1.00 -0.04 H new ATOM 0 HE1 HIS A 59 0.836 -5.073 -17.467 1.00 0.11 H new ATOM 0 HE2 HIS A 59 0.727 -2.826 -16.303 1.00 -0.06 H new ATOM 844 N ASN A 60 -4.013 -2.262 -13.035 1.00 -0.46 N ATOM 845 CA ASN A 60 -4.893 -1.224 -13.578 1.00 0.04 C ATOM 846 C ASN A 60 -5.079 -0.185 -12.489 1.00 0.62 C ATOM 847 O ASN A 60 -6.169 -0.031 -11.964 1.00 -0.50 O ATOM 848 CB ASN A 60 -6.251 -1.861 -13.988 1.00 -0.09 C ATOM 849 CG ASN A 60 -7.241 -0.829 -14.474 1.00 0.68 C ATOM 850 OD1 ASN A 60 -8.254 -0.614 -13.828 1.00 -0.47 O ATOM 851 ND2 ASN A 60 -6.984 -0.166 -15.620 1.00 -0.87 N ATOM 0 H ASN A 60 -3.775 -2.138 -12.051 1.00 -0.46 H new ATOM 0 HA ASN A 60 -4.467 -0.758 -14.466 1.00 0.04 H new ATOM 0 HB2 ASN A 60 -6.082 -2.598 -14.773 1.00 -0.09 H new ATOM 0 HB3 ASN A 60 -6.673 -2.394 -13.136 1.00 -0.09 H new ATOM 0 HD21 ASN A 60 -7.643 0.532 -15.964 1.00 -0.87 H new ATOM 0 HD22 ASN A 60 -6.131 -0.363 -16.143 1.00 -0.87 H new ATOM 858 N LEU A 61 -3.974 0.498 -12.111 1.00 -0.46 N ATOM 859 CA LEU A 61 -3.968 1.303 -10.889 1.00 0.04 C ATOM 860 C LEU A 61 -3.107 2.524 -11.125 1.00 0.62 C ATOM 861 O LEU A 61 -2.073 2.376 -11.757 1.00 -0.50 O ATOM 862 CB LEU A 61 -3.471 0.324 -9.785 1.00 -0.06 C ATOM 863 CG LEU A 61 -3.282 0.916 -8.356 1.00 -0.01 C ATOM 864 CD1 LEU A 61 -3.254 -0.239 -7.312 1.00 -0.11 C ATOM 865 CD2 LEU A 61 -1.979 1.756 -8.239 1.00 -0.11 C ATOM 0 H LEU A 61 -3.096 0.503 -12.630 1.00 -0.46 H new ATOM 0 HA LEU A 61 -4.932 1.708 -10.582 1.00 0.04 H new ATOM 0 HB2 LEU A 61 -4.179 -0.502 -9.720 1.00 -0.06 H new ATOM 0 HB3 LEU A 61 -2.519 -0.097 -10.107 1.00 -0.06 H new ATOM 0 HG LEU A 61 -4.123 1.581 -8.160 1.00 -0.01 H new ATOM 0 HD11 LEU A 61 -3.122 0.177 -6.313 1.00 -0.11 H new ATOM 0 HD12 LEU A 61 -4.193 -0.790 -7.354 1.00 -0.11 H new ATOM 0 HD13 LEU A 61 -2.427 -0.913 -7.537 1.00 -0.11 H new ATOM 0 HD21 LEU A 61 -1.889 2.149 -7.226 1.00 -0.11 H new ATOM 0 HD22 LEU A 61 -1.118 1.125 -8.462 1.00 -0.11 H new ATOM 0 HD23 LEU A 61 -2.015 2.584 -8.947 1.00 -0.11 H new ATOM 877 N ASN A 62 -3.499 3.734 -10.658 1.00 -0.46 N ATOM 878 CA ASN A 62 -2.724 4.935 -10.981 1.00 0.04 C ATOM 879 C ASN A 62 -1.464 4.968 -10.140 1.00 0.62 C ATOM 880 O ASN A 62 -1.395 5.738 -9.197 1.00 -0.50 O ATOM 881 CB ASN A 62 -3.617 6.196 -10.806 1.00 -0.09 C ATOM 882 CG ASN A 62 -2.954 7.449 -11.326 1.00 0.68 C ATOM 883 OD1 ASN A 62 -1.741 7.490 -11.456 1.00 -0.47 O ATOM 884 ND2 ASN A 62 -3.733 8.508 -11.630 1.00 -0.87 N ATOM 0 H ASN A 62 -4.321 3.893 -10.076 1.00 -0.46 H new ATOM 0 HA ASN A 62 -2.405 4.920 -12.023 1.00 0.04 H new ATOM 0 HB2 ASN A 62 -4.561 6.044 -11.329 1.00 -0.09 H new ATOM 0 HB3 ASN A 62 -3.855 6.326 -9.750 1.00 -0.09 H new ATOM 0 HD21 ASN A 62 -3.310 9.369 -11.978 1.00 -0.87 H new ATOM 0 HD22 ASN A 62 -4.744 8.448 -11.512 1.00 -0.87 H new ATOM 891 N GLU A 63 -0.460 4.120 -10.467 1.00 -0.46 N ATOM 892 CA GLU A 63 0.726 3.984 -9.615 1.00 0.04 C ATOM 893 C GLU A 63 1.273 5.325 -9.171 1.00 0.62 C ATOM 894 O GLU A 63 1.481 5.515 -7.983 1.00 -0.50 O ATOM 895 CB GLU A 63 1.827 3.149 -10.335 1.00 -0.18 C ATOM 896 CG GLU A 63 2.950 2.657 -9.379 1.00 -0.40 C ATOM 897 CD GLU A 63 3.823 3.723 -8.774 1.00 0.71 C ATOM 898 OE1 GLU A 63 4.049 4.772 -9.430 1.00 -0.72 O ATOM 899 OE2 GLU A 63 4.318 3.498 -7.634 1.00 -0.72 O ATOM 0 H GLU A 63 -0.454 3.533 -11.301 1.00 -0.46 H new ATOM 0 HA GLU A 63 0.415 3.453 -8.715 1.00 0.04 H new ATOM 0 HB2 GLU A 63 1.364 2.287 -10.814 1.00 -0.18 H new ATOM 0 HB3 GLU A 63 2.272 3.753 -11.126 1.00 -0.18 H new ATOM 0 HG2 GLU A 63 2.487 2.093 -8.569 1.00 -0.40 H new ATOM 0 HG3 GLU A 63 3.587 1.963 -9.928 1.00 -0.40 H new ATOM 906 N ASP A 64 1.511 6.276 -10.100 1.00 -0.46 N ATOM 907 CA ASP A 64 2.107 7.551 -9.698 1.00 0.04 C ATOM 908 C ASP A 64 1.199 8.313 -8.754 1.00 0.62 C ATOM 909 O ASP A 64 1.609 8.622 -7.645 1.00 -0.50 O ATOM 910 CB ASP A 64 2.457 8.417 -10.938 1.00 -0.40 C ATOM 911 CG ASP A 64 3.033 9.737 -10.499 1.00 0.71 C ATOM 912 OD1 ASP A 64 2.228 10.645 -10.156 1.00 -0.72 O ATOM 913 OD2 ASP A 64 4.285 9.874 -10.491 1.00 -0.72 O ATOM 0 H ASP A 64 1.306 6.185 -11.095 1.00 -0.46 H new ATOM 0 HA ASP A 64 3.031 7.327 -9.165 1.00 0.04 H new ATOM 0 HB2 ASP A 64 3.173 7.890 -11.569 1.00 -0.40 H new ATOM 0 HB3 ASP A 64 1.563 8.583 -11.540 1.00 -0.40 H new ATOM 918 N ASN A 65 -0.049 8.638 -9.164 1.00 -0.46 N ATOM 919 CA ASN A 65 -0.907 9.429 -8.280 1.00 0.04 C ATOM 920 C ASN A 65 -1.054 8.688 -6.972 1.00 0.62 C ATOM 921 O ASN A 65 -0.872 9.267 -5.913 1.00 -0.50 O ATOM 922 CB ASN A 65 -2.307 9.678 -8.901 1.00 -0.09 C ATOM 923 CG ASN A 65 -3.156 10.634 -8.103 1.00 0.68 C ATOM 924 OD1 ASN A 65 -2.623 11.394 -7.311 1.00 -0.47 O ATOM 925 ND2 ASN A 65 -4.491 10.632 -8.296 1.00 -0.87 N ATOM 0 H ASN A 65 -0.461 8.376 -10.059 1.00 -0.46 H new ATOM 0 HA ASN A 65 -0.444 10.404 -8.125 1.00 0.04 H new ATOM 0 HB2 ASN A 65 -2.184 10.070 -9.911 1.00 -0.09 H new ATOM 0 HB3 ASN A 65 -2.831 8.726 -8.990 1.00 -0.09 H new ATOM 0 HD21 ASN A 65 -5.083 11.277 -7.773 1.00 -0.87 H new ATOM 0 HD22 ASN A 65 -4.909 9.985 -8.965 1.00 -0.87 H new ATOM 932 N ALA A 66 -1.361 7.376 -7.036 1.00 -0.46 N ATOM 933 CA ALA A 66 -1.445 6.575 -5.818 1.00 0.04 C ATOM 934 C ALA A 66 -0.220 6.798 -4.954 1.00 0.62 C ATOM 935 O ALA A 66 -0.350 7.116 -3.781 1.00 -0.50 O ATOM 936 CB ALA A 66 -1.554 5.075 -6.202 1.00 -0.10 C ATOM 0 H ALA A 66 -1.549 6.867 -7.900 1.00 -0.46 H new ATOM 0 HA ALA A 66 -2.327 6.875 -5.251 1.00 0.04 H new ATOM 0 HB1 ALA A 66 -1.617 4.471 -5.297 1.00 -0.10 H new ATOM 0 HB2 ALA A 66 -2.448 4.918 -6.806 1.00 -0.10 H new ATOM 0 HB3 ALA A 66 -0.674 4.781 -6.774 1.00 -0.10 H new ATOM 942 N ARG A 67 0.990 6.647 -5.535 1.00 -0.46 N ATOM 943 CA ARG A 67 2.218 6.832 -4.761 1.00 0.04 C ATOM 944 C ARG A 67 2.277 8.227 -4.177 1.00 0.62 C ATOM 945 O ARG A 67 2.848 8.389 -3.112 1.00 -0.50 O ATOM 946 CB ARG A 67 3.465 6.562 -5.650 1.00 -0.08 C ATOM 947 CG ARG A 67 4.789 6.501 -4.836 1.00 -0.10 C ATOM 948 CD ARG A 67 6.034 6.272 -5.742 1.00 -0.23 C ATOM 949 NE ARG A 67 6.043 4.961 -6.404 1.00 -0.32 N ATOM 950 CZ ARG A 67 7.002 4.543 -7.202 1.00 0.76 C ATOM 951 NH1 ARG A 67 8.062 5.262 -7.473 1.00 -0.62 N ATOM 952 NH2 ARG A 67 6.901 3.358 -7.753 1.00 -0.62 N ATOM 0 H ARG A 67 1.133 6.403 -6.515 1.00 -0.46 H new ATOM 0 HA ARG A 67 2.216 6.117 -3.939 1.00 0.04 H new ATOM 0 HB2 ARG A 67 3.328 5.621 -6.182 1.00 -0.08 H new ATOM 0 HB3 ARG A 67 3.544 7.346 -6.404 1.00 -0.08 H new ATOM 0 HG2 ARG A 67 4.914 7.430 -4.280 1.00 -0.10 H new ATOM 0 HG3 ARG A 67 4.724 5.697 -4.102 1.00 -0.10 H new ATOM 0 HD2 ARG A 67 6.070 7.054 -6.501 1.00 -0.23 H new ATOM 0 HD3 ARG A 67 6.936 6.372 -5.138 1.00 -0.23 H new ATOM 0 HE ARG A 67 5.256 4.335 -6.234 1.00 -0.32 H new ATOM 0 HH11 ARG A 67 8.170 6.188 -7.059 1.00 -0.62 H new ATOM 0 HH12 ARG A 67 8.780 4.896 -8.098 1.00 -0.62 H new ATOM 0 HH21 ARG A 67 6.087 2.774 -7.561 1.00 -0.62 H new ATOM 0 HH22 ARG A 67 7.636 3.020 -8.374 1.00 -0.62 H new ATOM 966 N SER A 68 1.701 9.258 -4.836 1.00 -0.46 N ATOM 967 CA SER A 68 1.734 10.605 -4.264 1.00 0.04 C ATOM 968 C SER A 68 1.058 10.714 -2.911 1.00 0.62 C ATOM 969 O SER A 68 1.419 11.625 -2.183 1.00 -0.50 O ATOM 970 CB SER A 68 1.084 11.658 -5.205 1.00 0.02 C ATOM 971 OG SER A 68 1.350 12.999 -4.758 1.00 -0.55 O ATOM 0 H SER A 68 1.225 9.180 -5.735 1.00 -0.46 H new ATOM 0 HA SER A 68 2.797 10.810 -4.139 1.00 0.04 H new ATOM 0 HB2 SER A 68 1.466 11.528 -6.217 1.00 0.02 H new ATOM 0 HB3 SER A 68 0.007 11.494 -5.247 1.00 0.02 H new ATOM 0 HG SER A 68 1.553 12.990 -3.799 1.00 -0.55 H new ATOM 977 N ILE A 69 0.082 9.858 -2.522 1.00 -0.46 N ATOM 978 CA ILE A 69 -0.588 10.059 -1.228 1.00 0.04 C ATOM 979 C ILE A 69 0.419 10.228 -0.093 1.00 0.62 C ATOM 980 O ILE A 69 0.393 11.279 0.532 1.00 -0.50 O ATOM 981 CB ILE A 69 -1.689 8.998 -0.896 1.00 -0.01 C ATOM 982 CG1 ILE A 69 -2.915 9.094 -1.857 1.00 -0.05 C ATOM 983 CG2 ILE A 69 -2.151 9.134 0.587 1.00 -0.09 C ATOM 984 CD1 ILE A 69 -3.693 7.751 -1.943 1.00 -0.09 C ATOM 0 H ILE A 69 -0.244 9.057 -3.063 1.00 -0.46 H new ATOM 0 HA ILE A 69 -1.136 10.996 -1.329 1.00 0.04 H new ATOM 0 HB ILE A 69 -1.240 8.016 -1.042 1.00 -0.01 H new ATOM 0 HG12 ILE A 69 -3.586 9.880 -1.511 1.00 -0.05 H new ATOM 0 HG13 ILE A 69 -2.574 9.380 -2.852 1.00 -0.05 H new ATOM 0 HG21 ILE A 69 -2.917 8.388 0.799 1.00 -0.09 H new ATOM 0 HG22 ILE A 69 -1.299 8.978 1.249 1.00 -0.09 H new ATOM 0 HG23 ILE A 69 -2.560 10.131 0.751 1.00 -0.09 H new ATOM 0 HD11 ILE A 69 -4.538 7.863 -2.622 1.00 -0.09 H new ATOM 0 HD12 ILE A 69 -3.030 6.970 -2.314 1.00 -0.09 H new ATOM 0 HD13 ILE A 69 -4.057 7.478 -0.953 1.00 -0.09 H new ATOM 996 N PRO A 70 1.308 9.263 0.258 1.00 -0.23 N ATOM 997 CA PRO A 70 2.214 9.472 1.380 1.00 0.04 C ATOM 998 C PRO A 70 2.991 10.780 1.401 1.00 0.53 C ATOM 999 O PRO A 70 2.815 11.490 2.382 1.00 -0.50 O ATOM 1000 CB PRO A 70 3.052 8.161 1.371 1.00 -0.12 C ATOM 1001 CG PRO A 70 2.687 7.424 0.054 1.00 -0.12 C ATOM 1002 CD PRO A 70 1.280 7.930 -0.315 1.00 -0.01 C ATOM 0 HA PRO A 70 1.686 9.628 2.321 1.00 0.04 H new ATOM 0 HB2 PRO A 70 4.119 8.380 1.412 1.00 -0.12 H new ATOM 0 HB3 PRO A 70 2.820 7.545 2.239 1.00 -0.12 H new ATOM 0 HG2 PRO A 70 3.405 7.648 -0.735 1.00 -0.12 H new ATOM 0 HG3 PRO A 70 2.693 6.343 0.193 1.00 -0.12 H new ATOM 0 HD2 PRO A 70 1.117 7.947 -1.393 1.00 -0.01 H new ATOM 0 HD3 PRO A 70 0.493 7.312 0.116 1.00 -0.01 H new ATOM 1010 N PRO A 71 3.830 11.196 0.414 1.00 -0.23 N ATOM 1011 CA PRO A 71 4.501 12.494 0.502 1.00 0.04 C ATOM 1012 C PRO A 71 3.542 13.603 0.117 1.00 0.53 C ATOM 1013 O PRO A 71 3.785 14.325 -0.836 1.00 -0.50 O ATOM 1014 CB PRO A 71 5.607 12.270 -0.561 1.00 -0.12 C ATOM 1015 CG PRO A 71 4.883 11.417 -1.628 1.00 -0.12 C ATOM 1016 CD PRO A 71 4.110 10.394 -0.764 1.00 -0.01 C ATOM 0 HA PRO A 71 4.872 12.788 1.484 1.00 0.04 H new ATOM 0 HB2 PRO A 71 5.970 13.212 -0.973 1.00 -0.12 H new ATOM 0 HB3 PRO A 71 6.470 11.751 -0.144 1.00 -0.12 H new ATOM 0 HG2 PRO A 71 4.213 12.018 -2.243 1.00 -0.12 H new ATOM 0 HG3 PRO A 71 5.585 10.930 -2.304 1.00 -0.12 H new ATOM 0 HD2 PRO A 71 3.201 10.043 -1.252 1.00 -0.01 H new ATOM 0 HD3 PRO A 71 4.708 9.512 -0.532 1.00 -0.01 H new ATOM 1024 N LYS A 72 2.430 13.743 0.871 1.00 -0.46 N ATOM 1025 CA LYS A 72 1.382 14.713 0.535 1.00 0.04 C ATOM 1026 C LYS A 72 0.447 14.785 1.726 1.00 0.62 C ATOM 1027 O LYS A 72 0.304 15.851 2.304 1.00 -0.50 O ATOM 1028 CB LYS A 72 0.663 14.325 -0.792 1.00 -0.10 C ATOM 1029 CG LYS A 72 -0.166 15.459 -1.459 1.00 -0.16 C ATOM 1030 CD LYS A 72 -1.398 15.912 -0.629 1.00 -0.18 C ATOM 1031 CE LYS A 72 -2.317 16.842 -1.470 1.00 -0.04 C ATOM 1032 NZ LYS A 72 -3.458 17.352 -0.672 1.00 -0.14 N ATOM 0 H LYS A 72 2.242 13.196 1.711 1.00 -0.46 H new ATOM 0 HA LYS A 72 1.799 15.702 0.348 1.00 0.04 H new ATOM 0 HB2 LYS A 72 1.413 13.980 -1.504 1.00 -0.10 H new ATOM 0 HB3 LYS A 72 0.000 13.483 -0.593 1.00 -0.10 H new ATOM 0 HG2 LYS A 72 0.483 16.319 -1.627 1.00 -0.16 H new ATOM 0 HG3 LYS A 72 -0.505 15.120 -2.438 1.00 -0.16 H new ATOM 0 HD2 LYS A 72 -1.961 15.039 -0.299 1.00 -0.18 H new ATOM 0 HD3 LYS A 72 -1.066 16.435 0.268 1.00 -0.18 H new ATOM 0 HE2 LYS A 72 -1.735 17.681 -1.851 1.00 -0.04 H new ATOM 0 HE3 LYS A 72 -2.693 16.296 -2.335 1.00 -0.04 H new ATOM 0 HZ1 LYS A 72 -4.049 17.968 -1.266 1.00 -0.14 H new ATOM 0 HZ2 LYS A 72 -4.027 16.552 -0.330 1.00 -0.14 H new ATOM 0 HZ3 LYS A 72 -3.099 17.894 0.140 1.00 -0.14 H new ATOM 1046 N CYS A 73 -0.172 13.656 2.155 1.00 -0.46 N ATOM 1047 CA CYS A 73 -0.877 13.678 3.435 1.00 0.04 C ATOM 1048 C CYS A 73 0.145 13.870 4.541 1.00 0.62 C ATOM 1049 O CYS A 73 -0.105 14.686 5.414 1.00 -0.50 O ATOM 1050 CB CYS A 73 -1.706 12.396 3.709 1.00 -0.10 C ATOM 1051 SG CYS A 73 -2.691 12.691 5.221 1.00 0.82 S ATOM 0 H CYS A 73 -0.192 12.768 1.654 1.00 -0.46 H new ATOM 0 HA CYS A 73 -1.591 14.501 3.401 1.00 0.04 H new ATOM 0 HB2 CYS A 73 -2.358 12.173 2.864 1.00 -0.10 H new ATOM 0 HB3 CYS A 73 -1.050 11.536 3.841 1.00 -0.10 H new ATOM 1056 N GLY A 74 1.285 13.132 4.522 1.00 -0.46 N ATOM 1057 CA GLY A 74 2.383 13.398 5.459 1.00 0.04 C ATOM 1058 C GLY A 74 2.930 12.136 6.094 1.00 0.62 C ATOM 1059 O GLY A 74 2.677 11.930 7.271 1.00 -0.50 O ATOM 0 H GLY A 74 1.457 12.362 3.875 1.00 -0.46 H new ATOM 0 HA2 GLY A 74 3.187 13.913 4.933 1.00 0.04 H new ATOM 0 HA3 GLY A 74 2.032 14.071 6.242 1.00 0.04 H new ATOM 1063 N VAL A 75 3.659 11.281 5.336 1.00 -0.46 N ATOM 1064 CA VAL A 75 4.201 10.027 5.886 1.00 0.04 C ATOM 1065 C VAL A 75 5.081 9.358 4.842 1.00 0.62 C ATOM 1066 O VAL A 75 4.862 9.638 3.675 1.00 -0.50 O ATOM 1067 CB VAL A 75 3.052 9.100 6.396 1.00 -0.01 C ATOM 1068 CG1 VAL A 75 1.880 9.075 5.381 1.00 -0.09 C ATOM 1069 CG2 VAL A 75 3.513 7.653 6.734 1.00 -0.09 C ATOM 0 H VAL A 75 3.880 11.440 4.353 1.00 -0.46 H new ATOM 0 HA VAL A 75 4.823 10.243 6.755 1.00 0.04 H new ATOM 0 HB VAL A 75 2.712 9.534 7.336 1.00 -0.01 H new ATOM 0 HG11 VAL A 75 1.089 8.424 5.754 1.00 -0.09 H new ATOM 0 HG12 VAL A 75 1.489 10.084 5.252 1.00 -0.09 H new ATOM 0 HG13 VAL A 75 2.237 8.699 4.422 1.00 -0.09 H new ATOM 0 HG21 VAL A 75 2.659 7.071 7.081 1.00 -0.09 H new ATOM 0 HG22 VAL A 75 3.932 7.187 5.842 1.00 -0.09 H new ATOM 0 HG23 VAL A 75 4.272 7.686 7.516 1.00 -0.09 H new ATOM 1079 N ASN A 76 6.077 8.511 5.212 1.00 -0.46 N ATOM 1080 CA ASN A 76 7.032 7.989 4.227 1.00 0.04 C ATOM 1081 C ASN A 76 7.366 6.520 4.442 1.00 0.62 C ATOM 1082 O ASN A 76 8.448 6.202 4.907 1.00 -0.50 O ATOM 1083 CB ASN A 76 8.294 8.896 4.230 1.00 -0.09 C ATOM 1084 CG ASN A 76 8.878 9.062 5.612 1.00 0.68 C ATOM 1085 OD1 ASN A 76 9.826 8.373 5.953 1.00 -0.47 O ATOM 1086 ND2 ASN A 76 8.340 9.974 6.449 1.00 -0.87 N ATOM 0 H ASN A 76 6.230 8.187 6.167 1.00 -0.46 H new ATOM 0 HA ASN A 76 6.570 8.021 3.240 1.00 0.04 H new ATOM 0 HB2 ASN A 76 9.048 8.468 3.569 1.00 -0.09 H new ATOM 0 HB3 ASN A 76 8.036 9.875 3.827 1.00 -0.09 H new ATOM 0 HD21 ASN A 76 8.726 10.097 7.385 1.00 -0.87 H new ATOM 0 HD22 ASN A 76 7.548 10.540 6.145 1.00 -0.87 H new ATOM 1093 N LEU A 77 6.424 5.617 4.084 1.00 -0.46 N ATOM 1094 CA LEU A 77 6.671 4.169 4.048 1.00 0.04 C ATOM 1095 C LEU A 77 8.078 3.657 3.765 1.00 0.62 C ATOM 1096 O LEU A 77 8.840 4.384 3.148 1.00 -0.50 O ATOM 1097 CB LEU A 77 5.706 3.507 3.011 1.00 -0.06 C ATOM 1098 CG LEU A 77 5.733 4.013 1.527 1.00 -0.01 C ATOM 1099 CD1 LEU A 77 5.047 5.383 1.290 1.00 -0.11 C ATOM 1100 CD2 LEU A 77 7.135 4.055 0.860 1.00 -0.11 C ATOM 0 H LEU A 77 5.476 5.878 3.814 1.00 -0.46 H new ATOM 0 HA LEU A 77 6.497 3.884 5.086 1.00 0.04 H new ATOM 0 HB2 LEU A 77 5.917 2.438 2.999 1.00 -0.06 H new ATOM 0 HB3 LEU A 77 4.688 3.627 3.383 1.00 -0.06 H new ATOM 0 HG LEU A 77 5.145 3.233 1.044 1.00 -0.01 H new ATOM 0 HD11 LEU A 77 5.117 5.647 0.235 1.00 -0.11 H new ATOM 0 HD12 LEU A 77 3.998 5.319 1.579 1.00 -0.11 H new ATOM 0 HD13 LEU A 77 5.543 6.147 1.889 1.00 -0.11 H new ATOM 0 HD21 LEU A 77 7.040 4.419 -0.163 1.00 -0.11 H new ATOM 0 HD22 LEU A 77 7.786 4.723 1.424 1.00 -0.11 H new ATOM 0 HD23 LEU A 77 7.564 3.053 0.850 1.00 -0.11 H new ATOM 1112 N PRO A 78 8.496 2.418 4.157 1.00 -0.23 N ATOM 1113 CA PRO A 78 9.798 1.922 3.722 1.00 0.04 C ATOM 1114 C PRO A 78 9.784 1.383 2.299 1.00 0.53 C ATOM 1115 O PRO A 78 10.846 1.402 1.696 1.00 -0.50 O ATOM 1116 CB PRO A 78 10.029 0.834 4.800 1.00 -0.12 C ATOM 1117 CG PRO A 78 8.613 0.282 5.076 1.00 -0.12 C ATOM 1118 CD PRO A 78 7.741 1.562 5.072 1.00 -0.01 C ATOM 0 HA PRO A 78 10.586 2.673 3.660 1.00 0.04 H new ATOM 0 HB2 PRO A 78 10.700 0.053 4.443 1.00 -0.12 H new ATOM 0 HB3 PRO A 78 10.478 1.252 5.701 1.00 -0.12 H new ATOM 0 HG2 PRO A 78 8.298 -0.425 4.309 1.00 -0.12 H new ATOM 0 HG3 PRO A 78 8.561 -0.240 6.031 1.00 -0.12 H new ATOM 0 HD2 PRO A 78 6.729 1.369 4.715 1.00 -0.01 H new ATOM 0 HD3 PRO A 78 7.650 2.001 6.066 1.00 -0.01 H new ATOM 1126 N TYR A 79 8.649 0.918 1.712 1.00 -0.46 N ATOM 1127 CA TYR A 79 8.623 0.581 0.277 1.00 0.04 C ATOM 1128 C TYR A 79 7.281 0.952 -0.337 1.00 0.62 C ATOM 1129 O TYR A 79 6.333 1.109 0.416 1.00 -0.50 O ATOM 1130 CB TYR A 79 8.978 -0.911 0.024 1.00 -0.10 C ATOM 1131 CG TYR A 79 7.722 -1.763 0.244 1.00 -0.03 C ATOM 1132 CD1 TYR A 79 6.744 -1.815 -0.754 1.00 0.00 C ATOM 1133 CD2 TYR A 79 7.518 -2.471 1.433 1.00 0.00 C ATOM 1134 CE1 TYR A 79 5.474 -2.306 -0.452 1.00 -0.26 C ATOM 1135 CE2 TYR A 79 6.293 -3.098 1.678 1.00 -0.26 C ATOM 1136 CZ TYR A 79 5.246 -2.971 0.756 1.00 0.46 C ATOM 1137 OH TYR A 79 3.981 -3.497 1.022 1.00 -0.53 O ATOM 0 H TYR A 79 7.766 0.773 2.201 1.00 -0.46 H new ATOM 0 HA TYR A 79 9.394 1.172 -0.217 1.00 0.04 H new ATOM 0 HB2 TYR A 79 9.350 -1.043 -0.992 1.00 -0.10 H new ATOM 0 HB3 TYR A 79 9.773 -1.229 0.699 1.00 -0.10 H new ATOM 0 HD1 TYR A 79 6.971 -1.476 -1.754 1.00 0.00 H new ATOM 0 HD2 TYR A 79 8.310 -2.533 2.165 1.00 0.00 H new ATOM 0 HE1 TYR A 79 4.664 -2.172 -1.154 1.00 -0.26 H new ATOM 0 HE2 TYR A 79 6.154 -3.680 2.577 1.00 -0.26 H new ATOM 0 HH TYR A 79 3.773 -3.385 1.973 1.00 -0.53 H new ATOM 1147 N THR A 80 7.172 1.105 -1.680 1.00 -0.46 N ATOM 1148 CA THR A 80 5.965 1.694 -2.279 1.00 0.04 C ATOM 1149 C THR A 80 4.849 0.726 -2.637 1.00 0.62 C ATOM 1150 O THR A 80 3.824 0.773 -1.977 1.00 -0.50 O ATOM 1151 CB THR A 80 6.353 2.469 -3.569 1.00 0.17 C ATOM 1152 OG1 THR A 80 6.995 1.520 -4.440 1.00 -0.55 O ATOM 1153 CG2 THR A 80 7.304 3.658 -3.269 1.00 -0.19 C ATOM 0 H THR A 80 7.892 0.833 -2.350 1.00 -0.46 H new ATOM 0 HA THR A 80 5.564 2.336 -1.495 1.00 0.04 H new ATOM 0 HB THR A 80 5.463 2.900 -4.029 1.00 0.17 H new ATOM 0 HG1 THR A 80 7.258 1.966 -5.272 1.00 -0.55 H new ATOM 0 HG21 THR A 80 7.549 4.171 -4.199 1.00 -0.19 H new ATOM 0 HG22 THR A 80 6.813 4.354 -2.589 1.00 -0.19 H new ATOM 0 HG23 THR A 80 8.219 3.285 -2.808 1.00 -0.19 H new ATOM 1161 N ILE A 81 4.974 -0.119 -3.690 1.00 -0.46 N ATOM 1162 CA ILE A 81 3.803 -0.843 -4.220 1.00 0.04 C ATOM 1163 C ILE A 81 4.221 -1.881 -5.247 1.00 0.62 C ATOM 1164 O ILE A 81 5.286 -1.689 -5.809 1.00 -0.50 O ATOM 1165 CB ILE A 81 2.825 0.190 -4.870 1.00 -0.01 C ATOM 1166 CG1 ILE A 81 1.534 -0.473 -5.436 1.00 -0.05 C ATOM 1167 CG2 ILE A 81 3.528 1.030 -5.971 1.00 -0.09 C ATOM 1168 CD1 ILE A 81 0.534 0.549 -6.046 1.00 -0.09 C ATOM 0 H ILE A 81 5.851 -0.310 -4.175 1.00 -0.46 H new ATOM 0 HA ILE A 81 3.307 -1.366 -3.402 1.00 0.04 H new ATOM 0 HB ILE A 81 2.519 0.858 -4.065 1.00 -0.01 H new ATOM 0 HG12 ILE A 81 1.812 -1.199 -6.200 1.00 -0.05 H new ATOM 0 HG13 ILE A 81 1.037 -1.025 -4.638 1.00 -0.05 H new ATOM 0 HG21 ILE A 81 2.817 1.736 -6.399 1.00 -0.09 H new ATOM 0 HG22 ILE A 81 4.364 1.576 -5.534 1.00 -0.09 H new ATOM 0 HG23 ILE A 81 3.898 0.368 -6.754 1.00 -0.09 H new ATOM 0 HD11 ILE A 81 -0.342 0.021 -6.422 1.00 -0.09 H new ATOM 0 HD12 ILE A 81 0.228 1.261 -5.279 1.00 -0.09 H new ATOM 0 HD13 ILE A 81 1.014 1.083 -6.866 1.00 -0.09 H new ATOM 1180 N SER A 82 3.446 -2.964 -5.523 1.00 -0.46 N ATOM 1181 CA SER A 82 3.847 -3.947 -6.544 1.00 0.04 C ATOM 1182 C SER A 82 3.241 -3.678 -7.912 1.00 0.62 C ATOM 1183 O SER A 82 2.644 -4.574 -8.488 1.00 -0.50 O ATOM 1184 CB SER A 82 3.516 -5.385 -6.062 1.00 0.02 C ATOM 1185 OG SER A 82 4.121 -6.361 -6.927 1.00 -0.55 O ATOM 0 H SER A 82 2.561 -3.169 -5.060 1.00 -0.46 H new ATOM 0 HA SER A 82 4.925 -3.847 -6.671 1.00 0.04 H new ATOM 0 HB2 SER A 82 3.874 -5.524 -5.042 1.00 0.02 H new ATOM 0 HB3 SER A 82 2.436 -5.528 -6.043 1.00 0.02 H new ATOM 0 HG SER A 82 4.827 -5.936 -7.457 1.00 -0.55 H new ATOM 1191 N LEU A 83 3.406 -2.452 -8.465 1.00 -0.46 N ATOM 1192 CA LEU A 83 3.085 -2.182 -9.875 1.00 0.04 C ATOM 1193 C LEU A 83 4.432 -1.927 -10.521 1.00 0.62 C ATOM 1194 O LEU A 83 5.156 -1.112 -9.978 1.00 -0.50 O ATOM 1195 CB LEU A 83 2.182 -0.930 -10.089 1.00 -0.06 C ATOM 1196 CG LEU A 83 0.658 -1.198 -10.284 1.00 -0.01 C ATOM 1197 CD1 LEU A 83 0.316 -1.932 -11.611 1.00 -0.11 C ATOM 1198 CD2 LEU A 83 0.047 -1.951 -9.078 1.00 -0.11 C ATOM 0 H LEU A 83 3.758 -1.643 -7.954 1.00 -0.46 H new ATOM 0 HA LEU A 83 2.525 -3.018 -10.294 1.00 0.04 H new ATOM 0 HB2 LEU A 83 2.305 -0.269 -9.231 1.00 -0.06 H new ATOM 0 HB3 LEU A 83 2.548 -0.390 -10.962 1.00 -0.06 H new ATOM 0 HG LEU A 83 0.203 -0.210 -10.348 1.00 -0.01 H new ATOM 0 HD11 LEU A 83 -0.762 -2.083 -11.676 1.00 -0.11 H new ATOM 0 HD12 LEU A 83 0.650 -1.330 -12.456 1.00 -0.11 H new ATOM 0 HD13 LEU A 83 0.820 -2.898 -11.633 1.00 -0.11 H new ATOM 0 HD21 LEU A 83 -1.016 -2.118 -9.254 1.00 -0.11 H new ATOM 0 HD22 LEU A 83 0.550 -2.910 -8.956 1.00 -0.11 H new ATOM 0 HD23 LEU A 83 0.176 -1.356 -8.174 1.00 -0.11 H new ATOM 1210 N ASN A 84 4.808 -2.606 -11.631 1.00 -0.46 N ATOM 1211 CA ASN A 84 6.161 -2.452 -12.185 1.00 0.04 C ATOM 1212 C ASN A 84 7.265 -2.873 -11.226 1.00 0.62 C ATOM 1213 O ASN A 84 8.416 -2.568 -11.490 1.00 -0.50 O ATOM 1214 CB ASN A 84 6.353 -1.009 -12.734 1.00 -0.09 C ATOM 1215 CG ASN A 84 7.533 -0.843 -13.663 1.00 0.68 C ATOM 1216 OD1 ASN A 84 8.104 -1.821 -14.117 1.00 -0.47 O ATOM 1217 ND2 ASN A 84 7.922 0.408 -13.986 1.00 -0.87 N ATOM 0 H ASN A 84 4.205 -3.249 -12.145 1.00 -0.46 H new ATOM 0 HA ASN A 84 6.252 -3.148 -13.019 1.00 0.04 H new ATOM 0 HB2 ASN A 84 5.447 -0.711 -13.262 1.00 -0.09 H new ATOM 0 HB3 ASN A 84 6.471 -0.326 -11.892 1.00 -0.09 H new ATOM 0 HD21 ASN A 84 8.707 0.550 -14.621 1.00 -0.87 H new ATOM 0 HD22 ASN A 84 7.431 1.212 -13.595 1.00 -0.87 H new ATOM 1224 N ILE A 85 6.955 -3.586 -10.116 1.00 -0.46 N ATOM 1225 CA ILE A 85 7.985 -4.102 -9.204 1.00 0.04 C ATOM 1226 C ILE A 85 7.385 -5.299 -8.485 1.00 0.62 C ATOM 1227 O ILE A 85 6.175 -5.443 -8.560 1.00 -0.50 O ATOM 1228 CB ILE A 85 8.547 -3.072 -8.161 1.00 -0.01 C ATOM 1229 CG1 ILE A 85 7.564 -1.910 -7.807 1.00 -0.05 C ATOM 1230 CG2 ILE A 85 9.966 -2.560 -8.538 1.00 -0.09 C ATOM 1231 CD1 ILE A 85 7.729 -0.604 -8.633 1.00 -0.09 C ATOM 0 H ILE A 85 6.000 -3.812 -9.838 1.00 -0.46 H new ATOM 0 HA ILE A 85 8.852 -4.360 -9.812 1.00 0.04 H new ATOM 0 HB ILE A 85 8.648 -3.639 -7.236 1.00 -0.01 H new ATOM 0 HG12 ILE A 85 6.544 -2.272 -7.936 1.00 -0.05 H new ATOM 0 HG13 ILE A 85 7.685 -1.667 -6.751 1.00 -0.05 H new ATOM 0 HG21 ILE A 85 10.309 -1.851 -7.785 1.00 -0.09 H new ATOM 0 HG22 ILE A 85 10.656 -3.402 -8.584 1.00 -0.09 H new ATOM 0 HG23 ILE A 85 9.929 -2.068 -9.510 1.00 -0.09 H new ATOM 0 HD11 ILE A 85 6.996 0.131 -8.302 1.00 -0.09 H new ATOM 0 HD12 ILE A 85 8.733 -0.206 -8.487 1.00 -0.09 H new ATOM 0 HD13 ILE A 85 7.574 -0.820 -9.690 1.00 -0.09 H new ATOM 1243 N ASP A 86 8.182 -6.156 -7.801 1.00 -0.46 N ATOM 1244 CA ASP A 86 7.626 -7.322 -7.108 1.00 0.04 C ATOM 1245 C ASP A 86 7.919 -7.227 -5.624 1.00 0.62 C ATOM 1246 O ASP A 86 8.543 -8.120 -5.075 1.00 -0.50 O ATOM 1247 CB ASP A 86 8.204 -8.598 -7.778 1.00 -0.40 C ATOM 1248 CG ASP A 86 7.479 -9.832 -7.310 1.00 0.71 C ATOM 1249 OD1 ASP A 86 6.389 -10.135 -7.871 1.00 -0.72 O ATOM 1250 OD2 ASP A 86 7.960 -10.534 -6.375 1.00 -0.72 O ATOM 0 H ASP A 86 9.194 -6.057 -7.720 1.00 -0.46 H new ATOM 0 HA ASP A 86 6.540 -7.364 -7.194 1.00 0.04 H new ATOM 0 HB2 ASP A 86 8.121 -8.513 -8.862 1.00 -0.40 H new ATOM 0 HB3 ASP A 86 9.265 -8.686 -7.545 1.00 -0.40 H new ATOM 1255 N CYS A 87 7.461 -6.138 -4.960 1.00 -0.46 N ATOM 1256 CA CYS A 87 7.744 -5.931 -3.535 1.00 0.04 C ATOM 1257 C CYS A 87 9.220 -5.703 -3.272 1.00 0.62 C ATOM 1258 O CYS A 87 10.019 -5.864 -4.180 1.00 -0.50 O ATOM 1259 CB CYS A 87 7.314 -7.144 -2.665 1.00 -0.10 C ATOM 1260 SG CYS A 87 5.687 -7.798 -3.124 1.00 0.82 S ATOM 0 H CYS A 87 6.901 -5.402 -5.390 1.00 -0.46 H new ATOM 0 HA CYS A 87 7.167 -5.047 -3.263 1.00 0.04 H new ATOM 0 HB2 CYS A 87 8.058 -7.935 -2.760 1.00 -0.10 H new ATOM 0 HB3 CYS A 87 7.298 -6.846 -1.617 1.00 -0.10 H new ATOM 1265 N SER A 88 9.590 -5.364 -2.013 1.00 -0.46 N ATOM 1266 CA SER A 88 10.996 -5.361 -1.603 1.00 0.04 C ATOM 1267 C SER A 88 11.128 -6.316 -0.435 1.00 0.62 C ATOM 1268 O SER A 88 11.501 -5.905 0.653 1.00 -0.50 O ATOM 1269 CB SER A 88 11.424 -3.914 -1.249 1.00 0.02 C ATOM 1270 OG SER A 88 12.805 -3.859 -0.852 1.00 -0.55 O ATOM 0 H SER A 88 8.935 -5.094 -1.279 1.00 -0.46 H new ATOM 0 HA SER A 88 11.658 -5.695 -2.402 1.00 0.04 H new ATOM 0 HB2 SER A 88 11.265 -3.265 -2.110 1.00 0.02 H new ATOM 0 HB3 SER A 88 10.796 -3.534 -0.443 1.00 0.02 H new ATOM 0 HG SER A 88 12.952 -4.464 -0.095 1.00 -0.55 H new ATOM 1276 N ARG A 89 10.808 -7.613 -0.648 1.00 -0.46 N ATOM 1277 CA ARG A 89 10.917 -8.585 0.444 1.00 0.04 C ATOM 1278 C ARG A 89 12.373 -8.750 0.828 1.00 0.62 C ATOM 1279 O ARG A 89 13.202 -8.728 -0.067 1.00 -0.50 O ATOM 1280 CB ARG A 89 10.404 -9.994 0.033 1.00 -0.08 C ATOM 1281 CG ARG A 89 8.866 -10.050 -0.191 1.00 -0.10 C ATOM 1282 CD ARG A 89 8.468 -11.350 -0.949 1.00 -0.23 C ATOM 1283 NE ARG A 89 8.846 -11.290 -2.369 1.00 -0.32 N ATOM 1284 CZ ARG A 89 8.781 -12.312 -3.195 1.00 0.76 C ATOM 1285 NH1 ARG A 89 8.343 -13.493 -2.831 1.00 -0.62 N ATOM 1286 NH2 ARG A 89 9.164 -12.154 -4.439 1.00 -0.62 N ATOM 0 H ARG A 89 10.484 -7.994 -1.537 1.00 -0.46 H new ATOM 0 HA ARG A 89 10.312 -8.202 1.266 1.00 0.04 H new ATOM 0 HB2 ARG A 89 10.909 -10.304 -0.882 1.00 -0.08 H new ATOM 0 HB3 ARG A 89 10.678 -10.712 0.806 1.00 -0.08 H new ATOM 0 HG2 ARG A 89 8.352 -10.011 0.769 1.00 -0.10 H new ATOM 0 HG3 ARG A 89 8.544 -9.178 -0.760 1.00 -0.10 H new ATOM 0 HD2 ARG A 89 8.951 -12.207 -0.480 1.00 -0.23 H new ATOM 0 HD3 ARG A 89 7.392 -11.505 -0.865 1.00 -0.23 H new ATOM 0 HE ARG A 89 9.180 -10.399 -2.737 1.00 -0.32 H new ATOM 0 HH11 ARG A 89 8.034 -13.649 -1.871 1.00 -0.62 H new ATOM 0 HH12 ARG A 89 8.311 -14.256 -3.507 1.00 -0.62 H new ATOM 0 HH21 ARG A 89 9.507 -11.247 -4.756 1.00 -0.62 H new ATOM 0 HH22 ARG A 89 9.119 -12.938 -5.090 1.00 -0.62 H new ATOM 1300 N VAL A 90 12.700 -8.938 2.129 1.00 -0.46 N ATOM 1301 CA VAL A 90 14.084 -9.209 2.528 1.00 0.04 C ATOM 1302 C VAL A 90 14.087 -10.150 3.711 1.00 0.62 C ATOM 1303 O VAL A 90 13.067 -10.348 4.354 1.00 -0.50 O ATOM 1304 CB VAL A 90 14.880 -7.913 2.861 1.00 -0.01 C ATOM 1305 CG1 VAL A 90 14.977 -6.969 1.632 1.00 -0.09 C ATOM 1306 CG2 VAL A 90 14.262 -7.155 4.066 1.00 -0.09 C ATOM 1307 OXT VAL A 90 15.258 -10.733 3.990 1.00 0.00 O ATOM 0 H VAL A 90 12.032 -8.906 2.900 1.00 -0.46 H new ATOM 0 HA VAL A 90 14.589 -9.671 1.680 1.00 0.04 H new ATOM 0 HB VAL A 90 15.888 -8.227 3.133 1.00 -0.01 H new ATOM 0 HG11 VAL A 90 15.539 -6.075 1.903 1.00 -0.09 H new ATOM 0 HG12 VAL A 90 15.485 -7.484 0.817 1.00 -0.09 H new ATOM 0 HG13 VAL A 90 13.975 -6.684 1.312 1.00 -0.09 H new ATOM 0 HG21 VAL A 90 14.845 -6.256 4.268 1.00 -0.09 H new ATOM 0 HG22 VAL A 90 13.235 -6.876 3.832 1.00 -0.09 H new ATOM 0 HG23 VAL A 90 14.272 -7.799 4.945 1.00 -0.09 H new TER 1318 VAL A 90 HETATM 1319 C1 E2P A 91 1.528 3.032 2.026 1.00 -0.12 C HETATM 1320 C2 E2P A 91 0.878 4.035 1.039 1.00 -0.07 C HETATM 1321 C3 E2P A 91 -0.493 3.495 0.565 1.00 -0.07 C HETATM 1322 C4 E2P A 91 -1.233 4.454 -0.406 1.00 -0.07 C HETATM 1323 C5 E2P A 91 -0.585 4.569 -1.816 1.00 -0.06 C HETATM 1324 C6 E2P A 91 -0.329 3.236 -2.592 1.00 0.16 C HETATM 1325 O6 E2P A 91 1.062 2.871 -2.521 1.00 -0.46 O HETATM 1326 C7 E2P A 91 -1.205 2.046 -2.253 1.00 0.02 C HETATM 1327 C8 E2P A 91 -0.851 0.819 -2.650 1.00 -0.14 C HETATM 1328 C9 E2P A 91 -1.509 -0.450 -2.309 1.00 0.02 C HETATM 1329 C10 E2P A 91 -2.461 -1.161 -3.235 1.00 -0.01 C HETATM 1330 C11 E2P A 91 -2.770 -2.503 -2.509 1.00 -0.02 C HETATM 1331 C12 E2P A 91 -2.024 -2.363 -1.221 1.00 0.21 C HETATM 1332 O12 E2P A 91 -2.029 -3.204 -0.336 1.00 -0.34 O HETATM 1333 C13 E2P A 91 -1.296 -1.100 -1.161 1.00 -0.11 C HETATM 1334 C14 E2P A 91 -0.450 -0.639 -0.005 1.00 0.04 C HETATM 1335 C15 E2P A 91 0.980 -0.405 -0.437 1.00 -0.12 C HETATM 1336 C16 E2P A 91 2.039 -0.546 0.367 1.00 -0.11 C HETATM 1337 C17 E2P A 91 1.923 -0.926 1.810 1.00 -0.01 C HETATM 1338 C18 E2P A 91 3.226 -0.541 2.558 1.00 -0.07 C HETATM 1339 C19 E2P A 91 3.097 -0.902 4.050 1.00 -0.01 C HETATM 1340 C20 E2P A 91 2.593 -2.312 4.181 1.00 0.35 C HETATM 1341 O21 E2P A 91 1.422 -2.483 4.792 1.00 -0.38 O HETATM 1342 O20 E2P A 91 3.224 -3.252 3.727 1.00 -0.35 O HETATM 0 H192 E2P A 91 4.063 -0.802 4.544 1.00 -0.01 H new HETATM 0 H191 E2P A 91 2.413 -0.212 4.545 1.00 -0.01 H new HETATM 0 H182 E2P A 91 4.076 -1.064 2.120 1.00 -0.07 H new HETATM 0 H181 E2P A 91 3.418 0.526 2.448 1.00 -0.07 H new HETATM 0 H172 E2P A 91 1.070 -0.420 2.262 1.00 -0.01 H new HETATM 0 H171 E2P A 91 1.743 -1.997 1.901 1.00 -0.01 H new HETATM 0 H142 E2P A 91 -0.864 0.281 0.408 1.00 0.04 H new HETATM 0 H141 E2P A 91 -0.476 -1.385 0.789 1.00 0.04 H new HETATM 0 H102 E2P A 91 -3.368 -0.578 -3.398 1.00 -0.01 H new HETATM 0 H101 E2P A 91 -2.012 -1.332 -4.213 1.00 -0.01 H new HETATM 0 HO6 E2P A 91 1.394 2.670 -3.421 1.00 -0.46 H new HETATM 0 H8 E2P A 91 0.023 0.753 -3.299 1.00 -0.14 H new HETATM 0 H79 E2P A 91 -3.839 -2.637 -2.345 1.00 -0.02 H new HETATM 0 H78 E2P A 91 -2.426 -3.363 -3.084 1.00 -0.02 H new HETATM 0 H7 E2P A 91 -2.124 2.191 -1.685 1.00 0.02 H new HETATM 0 H6 E2P A 91 -0.627 3.482 -3.611 1.00 0.16 H new HETATM 0 H52 E2P A 91 -1.224 5.202 -2.432 1.00 -0.06 H new HETATM 0 H51 E2P A 91 0.368 5.087 -1.709 1.00 -0.06 H new HETATM 0 H42 E2P A 91 -2.262 4.113 -0.519 1.00 -0.07 H new HETATM 0 H41 E2P A 91 -1.274 5.446 0.044 1.00 -0.07 H new HETATM 0 H32 E2P A 91 -0.346 2.534 0.072 1.00 -0.07 H new HETATM 0 H31 E2P A 91 -1.124 3.314 1.435 1.00 -0.07 H new HETATM 0 H22 E2P A 91 0.750 5.003 1.523 1.00 -0.07 H new HETATM 0 H21 E2P A 91 1.533 4.191 0.182 1.00 -0.07 H new HETATM 0 H16 E2P A 91 3.033 -0.376 -0.048 1.00 -0.11 H new HETATM 0 H15 E2P A 91 1.159 -0.102 -1.469 1.00 -0.12 H new HETATM 0 H13 E2P A 91 2.492 3.419 2.355 1.00 -0.12 H new HETATM 0 H12 E2P A 91 0.877 2.898 2.890 1.00 -0.12 H new HETATM 0 H11 E2P A 91 1.672 2.073 1.528 1.00 -0.12 H new