USER MOD reduce.3.24.130724 H: found=0, std=0, add=1036, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1037 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 111 ASN : amide:sc= 0.503 K(o=1.1,f=-2.2) USER MOD Set 1.2: A 141 THR OG1 : rot -71:sc= 0.551 USER MOD Single : A 4 GLN : amide:sc= -0.921 K(o=-0.92,f=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0603 USER MOD Single : A 18 GLN : amide:sc= 0.265 X(o=0.27,f=-0.095) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -0.244 X(o=-0.24,f=-0.4) USER MOD Single : A 36 ASN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 43 LYS NZ :NH3+ -157:sc= -1.87! (180deg=-3.89!) USER MOD Single : A 46 THR OG1 : rot -24:sc= 0.0662 USER MOD Single : A 48 ASN : amide:sc= -3.01! C(o=-3!,f=-6.1!) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot -80:sc= 0.863 USER MOD Single : A 60 ASN : amide:sc= 0.0617 X(o=0.062,f=0) USER MOD Single : A 61 ASN : amide:sc= -0.76 K(o=-0.76,f=-6!) USER MOD Single : A 64 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.105) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= 0.0354 X(o=0.035,f=-0.45) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= 0.193 X(o=0.19,f=-0.0017) USER MOD Single : A 75 SER OG : rot 158:sc= 1.08 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 73:sc= 0.858 USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 158:sc= 0.358 (180deg=-0.889!) USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=-0.063) USER MOD Single : A 91 SER OG : rot 180:sc= 0.027 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.00621 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= -0.807 K(o=-0.81,f=0) USER MOD Single : A 104 GLN : amide:sc= -0.249 K(o=-0.25,f=-0.95) USER MOD Single : A 105 THR OG1 : rot 103:sc= 1.27 USER MOD Single : A 106 ASN : amide:sc= -0.141 K(o=-0.14,f=-9.1!) USER MOD Single : A 107 THR OG1 : rot -40:sc= -0.98 USER MOD Single : A 112 TYR OH : rot 130:sc= -1.6! USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 THR OG1 : rot 180:sc=-0.00787 USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 ASN : amide:sc= 0 X(o=0,f=-0.054) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 GLN : amide:sc= -1.12 K(o=-1.1,f=-0.029) USER MOD Single : A 130 THR OG1 : rot 180:sc= 0 USER MOD Single : A 132 SER OG : rot -139:sc= 0.791 USER MOD Single : A 134 THR OG1 : rot 52:sc= -0.0749 USER MOD Single : A 135 THR OG1 : rot 180:sc= 0 USER MOD Single : A 137 THR OG1 : rot 180:sc= 0 USER MOD Single : A 138 THR OG1 : rot 180:sc= 0 USER MOD Single : A 139 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 143 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 31 N CYS A 3 -18.076 3.283 -8.352 1.00 1.08 N ATOM 32 CA CYS A 3 -17.029 3.334 -7.341 1.00 0.96 C ATOM 33 C CYS A 3 -15.672 3.119 -7.999 1.00 0.83 C ATOM 34 O CYS A 3 -15.282 1.984 -8.297 1.00 0.96 O ATOM 35 CB CYS A 3 -17.269 2.271 -6.262 1.00 1.25 C ATOM 36 SG CYS A 3 -15.991 2.188 -4.958 1.00 1.43 S ATOM 0 HA CYS A 3 -17.046 4.314 -6.865 1.00 0.96 H new ATOM 0 HB2 CYS A 3 -18.233 2.464 -5.792 1.00 1.25 H new ATOM 0 HB3 CYS A 3 -17.338 1.296 -6.744 1.00 1.25 H new ATOM 41 N GLN A 4 -14.978 4.211 -8.266 1.00 0.67 N ATOM 42 CA GLN A 4 -13.656 4.152 -8.861 1.00 0.59 C ATOM 43 C GLN A 4 -12.629 4.651 -7.865 1.00 0.54 C ATOM 44 O GLN A 4 -12.775 5.732 -7.306 1.00 0.53 O ATOM 45 CB GLN A 4 -13.594 4.991 -10.134 1.00 0.59 C ATOM 46 CG GLN A 4 -14.435 4.449 -11.274 1.00 1.45 C ATOM 47 CD GLN A 4 -14.197 5.197 -12.571 1.00 1.65 C ATOM 48 OE1 GLN A 4 -13.320 4.833 -13.356 1.00 2.29 O ATOM 49 NE2 GLN A 4 -14.968 6.249 -12.801 1.00 1.92 N ATOM 0 H GLN A 4 -15.312 5.156 -8.078 1.00 0.67 H new ATOM 0 HA GLN A 4 -13.439 3.117 -9.123 1.00 0.59 H new ATOM 0 HB2 GLN A 4 -13.922 6.005 -9.905 1.00 0.59 H new ATOM 0 HB3 GLN A 4 -12.557 5.058 -10.462 1.00 0.59 H new ATOM 0 HG2 GLN A 4 -14.208 3.393 -11.419 1.00 1.45 H new ATOM 0 HG3 GLN A 4 -15.490 4.515 -11.008 1.00 1.45 H new ATOM 0 HE21 GLN A 4 -15.683 6.515 -12.124 1.00 1.92 H new ATOM 0 HE22 GLN A 4 -14.847 6.793 -13.656 1.00 1.92 H new ATOM 58 N VAL A 5 -11.592 3.877 -7.644 1.00 0.56 N ATOM 59 CA VAL A 5 -10.608 4.234 -6.646 1.00 0.57 C ATOM 60 C VAL A 5 -9.342 4.705 -7.333 1.00 0.57 C ATOM 61 O VAL A 5 -8.655 3.929 -7.984 1.00 0.66 O ATOM 62 CB VAL A 5 -10.294 3.045 -5.713 1.00 0.68 C ATOM 63 CG1 VAL A 5 -9.368 3.473 -4.586 1.00 1.00 C ATOM 64 CG2 VAL A 5 -11.578 2.449 -5.154 1.00 1.51 C ATOM 0 H VAL A 5 -11.408 3.003 -8.137 1.00 0.56 H new ATOM 0 HA VAL A 5 -11.016 5.038 -6.033 1.00 0.57 H new ATOM 0 HB VAL A 5 -9.786 2.279 -6.298 1.00 0.68 H new ATOM 0 HG11 VAL A 5 -9.161 2.619 -3.941 1.00 1.00 H new ATOM 0 HG12 VAL A 5 -8.434 3.847 -5.005 1.00 1.00 H new ATOM 0 HG13 VAL A 5 -9.845 4.261 -4.003 1.00 1.00 H new ATOM 0 HG21 VAL A 5 -11.336 1.612 -4.499 1.00 1.51 H new ATOM 0 HG22 VAL A 5 -12.116 3.209 -4.588 1.00 1.51 H new ATOM 0 HG23 VAL A 5 -12.204 2.098 -5.975 1.00 1.51 H new ATOM 74 N ARG A 6 -9.042 5.981 -7.204 1.00 0.57 N ATOM 75 CA ARG A 6 -7.889 6.545 -7.875 1.00 0.64 C ATOM 76 C ARG A 6 -6.631 6.344 -7.053 1.00 0.58 C ATOM 77 O ARG A 6 -6.321 7.137 -6.163 1.00 0.65 O ATOM 78 CB ARG A 6 -8.090 8.027 -8.166 1.00 0.80 C ATOM 79 CG ARG A 6 -9.302 8.316 -9.030 1.00 1.47 C ATOM 80 CD ARG A 6 -9.307 9.756 -9.500 1.00 1.67 C ATOM 81 NE ARG A 6 -8.181 10.038 -10.387 1.00 1.92 N ATOM 82 CZ ARG A 6 -8.107 11.102 -11.183 1.00 2.75 C ATOM 83 NH1 ARG A 6 -9.066 12.022 -11.157 1.00 3.23 N ATOM 84 NH2 ARG A 6 -7.066 11.248 -11.991 1.00 3.57 N ATOM 0 H ARG A 6 -9.577 6.644 -6.644 1.00 0.57 H new ATOM 0 HA ARG A 6 -7.775 6.020 -8.823 1.00 0.64 H new ATOM 0 HB2 ARG A 6 -8.190 8.564 -7.223 1.00 0.80 H new ATOM 0 HB3 ARG A 6 -7.200 8.416 -8.661 1.00 0.80 H new ATOM 0 HG2 ARG A 6 -9.305 7.649 -9.892 1.00 1.47 H new ATOM 0 HG3 ARG A 6 -10.212 8.111 -8.466 1.00 1.47 H new ATOM 0 HD2 ARG A 6 -10.242 9.966 -10.020 1.00 1.67 H new ATOM 0 HD3 ARG A 6 -9.266 10.421 -8.637 1.00 1.67 H new ATOM 0 HE ARG A 6 -7.403 9.378 -10.397 1.00 1.92 H new ATOM 0 HH11 ARG A 6 -9.860 11.913 -10.526 1.00 3.23 H new ATOM 0 HH12 ARG A 6 -9.008 12.837 -11.768 1.00 3.23 H new ATOM 0 HH21 ARG A 6 -6.326 10.546 -12.001 1.00 3.57 H new ATOM 0 HH22 ARG A 6 -7.005 12.062 -12.603 1.00 3.57 H new ATOM 98 N VAL A 7 -5.943 5.254 -7.329 1.00 0.58 N ATOM 99 CA VAL A 7 -4.636 5.012 -6.754 1.00 0.57 C ATOM 100 C VAL A 7 -3.580 5.311 -7.805 1.00 0.68 C ATOM 101 O VAL A 7 -3.527 4.647 -8.842 1.00 0.85 O ATOM 102 CB VAL A 7 -4.491 3.557 -6.250 1.00 0.64 C ATOM 103 CG1 VAL A 7 -3.071 3.286 -5.772 1.00 1.20 C ATOM 104 CG2 VAL A 7 -5.477 3.284 -5.128 1.00 1.26 C ATOM 0 H VAL A 7 -6.271 4.517 -7.953 1.00 0.58 H new ATOM 0 HA VAL A 7 -4.507 5.665 -5.891 1.00 0.57 H new ATOM 0 HB VAL A 7 -4.708 2.889 -7.083 1.00 0.64 H new ATOM 0 HG11 VAL A 7 -2.995 2.256 -5.423 1.00 1.20 H new ATOM 0 HG12 VAL A 7 -2.374 3.442 -6.595 1.00 1.20 H new ATOM 0 HG13 VAL A 7 -2.826 3.965 -4.955 1.00 1.20 H new ATOM 0 HG21 VAL A 7 -5.362 2.256 -4.785 1.00 1.26 H new ATOM 0 HG22 VAL A 7 -5.285 3.967 -4.300 1.00 1.26 H new ATOM 0 HG23 VAL A 7 -6.493 3.433 -5.492 1.00 1.26 H new ATOM 114 N GLY A 8 -2.763 6.322 -7.545 1.00 0.77 N ATOM 115 CA GLY A 8 -1.802 6.766 -8.533 1.00 0.96 C ATOM 116 C GLY A 8 -0.418 6.206 -8.303 1.00 0.75 C ATOM 117 O GLY A 8 -0.140 5.618 -7.257 1.00 0.86 O ATOM 0 H GLY A 8 -2.749 6.842 -6.668 1.00 0.77 H new ATOM 0 HA2 GLY A 8 -2.147 6.473 -9.525 1.00 0.96 H new ATOM 0 HA3 GLY A 8 -1.754 7.855 -8.522 1.00 0.96 H new ATOM 121 N ASP A 9 0.448 6.390 -9.284 1.00 0.57 N ATOM 122 CA ASP A 9 1.817 5.911 -9.205 1.00 0.45 C ATOM 123 C ASP A 9 2.709 6.958 -8.548 1.00 0.50 C ATOM 124 O ASP A 9 2.426 8.160 -8.605 1.00 0.73 O ATOM 125 CB ASP A 9 2.343 5.563 -10.600 1.00 0.56 C ATOM 126 CG ASP A 9 2.409 6.767 -11.518 1.00 1.37 C ATOM 127 OD1 ASP A 9 1.339 7.246 -11.954 1.00 1.77 O ATOM 128 OD2 ASP A 9 3.528 7.250 -11.797 1.00 2.18 O ATOM 0 H ASP A 9 0.224 6.873 -10.154 1.00 0.57 H new ATOM 0 HA ASP A 9 1.833 5.009 -8.594 1.00 0.45 H new ATOM 0 HB2 ASP A 9 3.337 5.125 -10.510 1.00 0.56 H new ATOM 0 HB3 ASP A 9 1.700 4.805 -11.047 1.00 0.56 H new ATOM 133 N LEU A 10 3.778 6.494 -7.922 1.00 0.52 N ATOM 134 CA LEU A 10 4.677 7.361 -7.180 1.00 0.65 C ATOM 135 C LEU A 10 6.122 7.025 -7.510 1.00 0.49 C ATOM 136 O LEU A 10 6.453 5.868 -7.746 1.00 0.57 O ATOM 137 CB LEU A 10 4.461 7.182 -5.676 1.00 0.95 C ATOM 138 CG LEU A 10 3.067 7.534 -5.151 1.00 0.76 C ATOM 139 CD1 LEU A 10 2.946 7.144 -3.689 1.00 1.05 C ATOM 140 CD2 LEU A 10 2.786 9.018 -5.323 1.00 1.41 C ATOM 0 H LEU A 10 4.046 5.510 -7.914 1.00 0.52 H new ATOM 0 HA LEU A 10 4.466 8.393 -7.462 1.00 0.65 H new ATOM 0 HB2 LEU A 10 4.672 6.144 -5.420 1.00 0.95 H new ATOM 0 HB3 LEU A 10 5.192 7.795 -5.149 1.00 0.95 H new ATOM 0 HG LEU A 10 2.330 6.976 -5.729 1.00 0.76 H new ATOM 0 HD11 LEU A 10 1.950 7.399 -3.326 1.00 1.05 H new ATOM 0 HD12 LEU A 10 3.107 6.071 -3.584 1.00 1.05 H new ATOM 0 HD13 LEU A 10 3.694 7.682 -3.106 1.00 1.05 H new ATOM 0 HD21 LEU A 10 1.790 9.246 -4.943 1.00 1.41 H new ATOM 0 HD22 LEU A 10 3.526 9.595 -4.769 1.00 1.41 H new ATOM 0 HD23 LEU A 10 2.840 9.278 -6.380 1.00 1.41 H new ATOM 152 N THR A 11 6.974 8.030 -7.551 1.00 0.49 N ATOM 153 CA THR A 11 8.401 7.803 -7.685 1.00 0.47 C ATOM 154 C THR A 11 9.159 8.679 -6.692 1.00 0.53 C ATOM 155 O THR A 11 9.098 9.908 -6.760 1.00 0.66 O ATOM 156 CB THR A 11 8.880 8.082 -9.123 1.00 0.63 C ATOM 157 OG1 THR A 11 8.048 7.369 -10.051 1.00 1.03 O ATOM 158 CG2 THR A 11 10.327 7.651 -9.308 1.00 0.99 C ATOM 0 H THR A 11 6.704 9.012 -7.494 1.00 0.49 H new ATOM 0 HA THR A 11 8.603 6.754 -7.467 1.00 0.47 H new ATOM 0 HB THR A 11 8.812 9.154 -9.307 1.00 0.63 H new ATOM 0 HG1 THR A 11 8.351 7.547 -10.966 1.00 1.03 H new ATOM 0 HG21 THR A 11 10.641 7.859 -10.331 1.00 0.99 H new ATOM 0 HG22 THR A 11 10.962 8.202 -8.615 1.00 0.99 H new ATOM 0 HG23 THR A 11 10.416 6.583 -9.111 1.00 0.99 H new ATOM 166 N VAL A 12 9.845 8.046 -5.748 1.00 0.52 N ATOM 167 CA VAL A 12 10.537 8.779 -4.695 1.00 0.63 C ATOM 168 C VAL A 12 11.975 8.292 -4.546 1.00 0.48 C ATOM 169 O VAL A 12 12.223 7.088 -4.454 1.00 0.57 O ATOM 170 CB VAL A 12 9.821 8.634 -3.333 1.00 0.82 C ATOM 171 CG1 VAL A 12 10.436 9.569 -2.307 1.00 1.45 C ATOM 172 CG2 VAL A 12 8.329 8.897 -3.465 1.00 1.45 C ATOM 0 H VAL A 12 9.937 7.032 -5.690 1.00 0.52 H new ATOM 0 HA VAL A 12 10.532 9.829 -4.989 1.00 0.63 H new ATOM 0 HB VAL A 12 9.952 7.607 -2.993 1.00 0.82 H new ATOM 0 HG11 VAL A 12 9.920 9.454 -1.354 1.00 1.45 H new ATOM 0 HG12 VAL A 12 11.491 9.326 -2.180 1.00 1.45 H new ATOM 0 HG13 VAL A 12 10.339 10.599 -2.650 1.00 1.45 H new ATOM 0 HG21 VAL A 12 7.853 8.788 -2.491 1.00 1.45 H new ATOM 0 HG22 VAL A 12 8.169 9.910 -3.835 1.00 1.45 H new ATOM 0 HG23 VAL A 12 7.894 8.182 -4.164 1.00 1.45 H new ATOM 182 N ALA A 13 12.914 9.227 -4.524 1.00 0.44 N ATOM 183 CA ALA A 13 14.316 8.895 -4.330 1.00 0.43 C ATOM 184 C ALA A 13 14.729 9.141 -2.879 1.00 0.45 C ATOM 185 O ALA A 13 14.986 10.278 -2.482 1.00 0.57 O ATOM 186 CB ALA A 13 15.196 9.697 -5.279 1.00 0.59 C ATOM 0 H ALA A 13 12.729 10.223 -4.638 1.00 0.44 H new ATOM 0 HA ALA A 13 14.450 7.836 -4.552 1.00 0.43 H new ATOM 0 HB1 ALA A 13 16.241 9.433 -5.117 1.00 0.59 H new ATOM 0 HB2 ALA A 13 14.920 9.471 -6.309 1.00 0.59 H new ATOM 0 HB3 ALA A 13 15.057 10.762 -5.091 1.00 0.59 H new ATOM 192 N LYS A 14 14.776 8.072 -2.087 1.00 0.43 N ATOM 193 CA LYS A 14 15.147 8.172 -0.680 1.00 0.50 C ATOM 194 C LYS A 14 15.455 6.790 -0.116 1.00 0.41 C ATOM 195 O LYS A 14 15.153 5.774 -0.746 1.00 0.41 O ATOM 196 CB LYS A 14 14.016 8.826 0.135 1.00 0.67 C ATOM 197 CG LYS A 14 14.486 9.589 1.367 1.00 1.47 C ATOM 198 CD LYS A 14 15.265 10.842 0.994 1.00 2.23 C ATOM 199 CE LYS A 14 14.406 11.834 0.222 1.00 2.52 C ATOM 200 NZ LYS A 14 15.166 13.053 -0.159 1.00 3.42 N ATOM 0 H LYS A 14 14.561 7.125 -2.398 1.00 0.43 H new ATOM 0 HA LYS A 14 16.038 8.796 -0.606 1.00 0.50 H new ATOM 0 HB2 LYS A 14 13.467 9.509 -0.513 1.00 0.67 H new ATOM 0 HB3 LYS A 14 13.316 8.051 0.448 1.00 0.67 H new ATOM 0 HG2 LYS A 14 13.624 9.865 1.974 1.00 1.47 H new ATOM 0 HG3 LYS A 14 15.113 8.940 1.979 1.00 1.47 H new ATOM 0 HD2 LYS A 14 15.644 11.317 1.899 1.00 2.23 H new ATOM 0 HD3 LYS A 14 16.131 10.566 0.392 1.00 2.23 H new ATOM 0 HE2 LYS A 14 14.017 11.354 -0.676 1.00 2.52 H new ATOM 0 HE3 LYS A 14 13.546 12.118 0.829 1.00 2.52 H new ATOM 0 HZ1 LYS A 14 14.543 13.701 -0.682 1.00 3.42 H new ATOM 0 HZ2 LYS A 14 15.516 13.526 0.699 1.00 3.42 H new ATOM 0 HZ3 LYS A 14 15.972 12.786 -0.760 1.00 3.42 H new ATOM 214 N THR A 15 16.045 6.766 1.071 1.00 0.46 N ATOM 215 CA THR A 15 16.425 5.529 1.734 1.00 0.44 C ATOM 216 C THR A 15 15.270 4.973 2.564 1.00 0.44 C ATOM 217 O THR A 15 14.274 5.657 2.794 1.00 0.50 O ATOM 218 CB THR A 15 17.627 5.767 2.667 1.00 0.49 C ATOM 219 OG1 THR A 15 17.249 6.683 3.706 1.00 0.63 O ATOM 220 CG2 THR A 15 18.810 6.332 1.896 1.00 0.52 C ATOM 0 H THR A 15 16.274 7.607 1.602 1.00 0.46 H new ATOM 0 HA THR A 15 16.691 4.811 0.958 1.00 0.44 H new ATOM 0 HB THR A 15 17.924 4.812 3.101 1.00 0.49 H new ATOM 0 HG1 THR A 15 18.012 6.835 4.302 1.00 0.63 H new ATOM 0 HG21 THR A 15 19.646 6.491 2.577 1.00 0.52 H new ATOM 0 HG22 THR A 15 19.106 5.629 1.117 1.00 0.52 H new ATOM 0 HG23 THR A 15 18.528 7.281 1.440 1.00 0.52 H new ATOM 228 N ARG A 16 15.397 3.726 3.004 1.00 0.40 N ATOM 229 CA ARG A 16 14.417 3.146 3.915 1.00 0.43 C ATOM 230 C ARG A 16 14.827 3.464 5.344 1.00 0.46 C ATOM 231 O ARG A 16 14.068 3.246 6.281 1.00 0.55 O ATOM 232 CB ARG A 16 14.263 1.625 3.742 1.00 0.50 C ATOM 233 CG ARG A 16 13.948 1.178 2.320 1.00 0.57 C ATOM 234 CD ARG A 16 15.208 1.041 1.481 1.00 0.68 C ATOM 235 NE ARG A 16 14.923 0.966 0.049 1.00 1.22 N ATOM 236 CZ ARG A 16 14.673 2.037 -0.702 1.00 2.43 C ATOM 237 NH1 ARG A 16 14.570 3.230 -0.135 1.00 3.01 N ATOM 238 NH2 ARG A 16 14.507 1.914 -2.011 1.00 3.14 N ATOM 0 H ARG A 16 16.162 3.102 2.747 1.00 0.40 H new ATOM 0 HA ARG A 16 13.447 3.586 3.681 1.00 0.43 H new ATOM 0 HB2 ARG A 16 15.184 1.140 4.066 1.00 0.50 H new ATOM 0 HB3 ARG A 16 13.470 1.276 4.403 1.00 0.50 H new ATOM 0 HG2 ARG A 16 13.423 0.223 2.347 1.00 0.57 H new ATOM 0 HG3 ARG A 16 13.276 1.898 1.853 1.00 0.57 H new ATOM 0 HD2 ARG A 16 15.863 1.891 1.674 1.00 0.68 H new ATOM 0 HD3 ARG A 16 15.749 0.146 1.788 1.00 0.68 H new ATOM 0 HE ARG A 16 14.915 0.049 -0.397 1.00 1.22 H new ATOM 0 HH11 ARG A 16 14.682 3.326 0.874 1.00 3.01 H new ATOM 0 HH12 ARG A 16 14.379 4.052 -0.708 1.00 3.01 H new ATOM 0 HH21 ARG A 16 14.570 0.995 -2.449 1.00 3.14 H new ATOM 0 HH22 ARG A 16 14.316 2.738 -2.581 1.00 3.14 H new ATOM 252 N GLY A 17 16.060 3.948 5.494 1.00 0.47 N ATOM 253 CA GLY A 17 16.524 4.432 6.779 1.00 0.58 C ATOM 254 C GLY A 17 15.795 5.690 7.191 1.00 0.61 C ATOM 255 O GLY A 17 15.614 5.952 8.382 1.00 0.75 O ATOM 0 H GLY A 17 16.746 4.012 4.742 1.00 0.47 H new ATOM 0 HA2 GLY A 17 16.377 3.660 7.535 1.00 0.58 H new ATOM 0 HA3 GLY A 17 17.595 4.630 6.730 1.00 0.58 H new ATOM 259 N GLN A 18 15.376 6.470 6.196 1.00 0.58 N ATOM 260 CA GLN A 18 14.539 7.636 6.435 1.00 0.70 C ATOM 261 C GLN A 18 13.208 7.196 7.033 1.00 0.64 C ATOM 262 O GLN A 18 12.629 7.885 7.876 1.00 0.72 O ATOM 263 CB GLN A 18 14.305 8.408 5.133 1.00 0.86 C ATOM 264 CG GLN A 18 13.486 9.677 5.312 1.00 1.02 C ATOM 265 CD GLN A 18 14.139 10.670 6.259 1.00 1.49 C ATOM 266 OE1 GLN A 18 14.913 11.528 5.838 1.00 2.00 O ATOM 267 NE2 GLN A 18 13.830 10.560 7.544 1.00 2.17 N ATOM 0 H GLN A 18 15.605 6.312 5.215 1.00 0.58 H new ATOM 0 HA GLN A 18 15.048 8.297 7.137 1.00 0.70 H new ATOM 0 HB2 GLN A 18 15.270 8.667 4.697 1.00 0.86 H new ATOM 0 HB3 GLN A 18 13.798 7.757 4.421 1.00 0.86 H new ATOM 0 HG2 GLN A 18 13.340 10.150 4.341 1.00 1.02 H new ATOM 0 HG3 GLN A 18 12.498 9.416 5.691 1.00 1.02 H new ATOM 0 HE21 GLN A 18 13.183 9.834 7.853 1.00 2.17 H new ATOM 0 HE22 GLN A 18 14.239 11.201 8.224 1.00 2.17 H new ATOM 276 N LEU A 19 12.739 6.032 6.589 1.00 0.60 N ATOM 277 CA LEU A 19 11.538 5.424 7.136 1.00 0.62 C ATOM 278 C LEU A 19 11.759 5.049 8.599 1.00 0.78 C ATOM 279 O LEU A 19 12.307 3.994 8.915 1.00 1.61 O ATOM 280 CB LEU A 19 11.149 4.176 6.337 1.00 0.62 C ATOM 281 CG LEU A 19 10.669 4.420 4.906 1.00 0.52 C ATOM 282 CD1 LEU A 19 10.729 3.131 4.101 1.00 0.92 C ATOM 283 CD2 LEU A 19 9.248 4.957 4.912 1.00 0.89 C ATOM 0 H LEU A 19 13.180 5.491 5.845 1.00 0.60 H new ATOM 0 HA LEU A 19 10.727 6.149 7.068 1.00 0.62 H new ATOM 0 HB2 LEU A 19 12.010 3.508 6.302 1.00 0.62 H new ATOM 0 HB3 LEU A 19 10.362 3.652 6.879 1.00 0.62 H new ATOM 0 HG LEU A 19 11.325 5.157 4.443 1.00 0.52 H new ATOM 0 HD11 LEU A 19 10.384 3.320 3.084 1.00 0.92 H new ATOM 0 HD12 LEU A 19 11.756 2.766 4.074 1.00 0.92 H new ATOM 0 HD13 LEU A 19 10.090 2.381 4.567 1.00 0.92 H new ATOM 0 HD21 LEU A 19 8.919 5.126 3.887 1.00 0.89 H new ATOM 0 HD22 LEU A 19 8.588 4.234 5.390 1.00 0.89 H new ATOM 0 HD23 LEU A 19 9.217 5.897 5.463 1.00 0.89 H new ATOM 295 N THR A 20 11.356 5.933 9.487 1.00 0.68 N ATOM 296 CA THR A 20 11.475 5.694 10.908 1.00 0.69 C ATOM 297 C THR A 20 10.138 5.197 11.440 1.00 0.66 C ATOM 298 O THR A 20 9.404 5.927 12.109 1.00 0.73 O ATOM 299 CB THR A 20 11.902 6.978 11.638 1.00 0.80 C ATOM 300 OG1 THR A 20 12.943 7.628 10.888 1.00 1.51 O ATOM 301 CG2 THR A 20 12.404 6.669 13.041 1.00 1.65 C ATOM 0 H THR A 20 10.939 6.832 9.245 1.00 0.68 H new ATOM 0 HA THR A 20 12.240 4.939 11.086 1.00 0.69 H new ATOM 0 HB THR A 20 11.035 7.633 11.721 1.00 0.80 H new ATOM 0 HG1 THR A 20 13.216 8.448 11.350 1.00 1.51 H new ATOM 0 HG21 THR A 20 12.699 7.595 13.534 1.00 1.65 H new ATOM 0 HG22 THR A 20 11.610 6.190 13.614 1.00 1.65 H new ATOM 0 HG23 THR A 20 13.263 6.000 12.981 1.00 1.65 H new ATOM 309 N ASP A 21 9.827 3.950 11.093 1.00 0.61 N ATOM 310 CA ASP A 21 8.503 3.372 11.307 1.00 0.61 C ATOM 311 C ASP A 21 7.446 4.238 10.632 1.00 0.58 C ATOM 312 O ASP A 21 7.238 4.133 9.425 1.00 0.73 O ATOM 313 CB ASP A 21 8.186 3.175 12.796 1.00 0.69 C ATOM 314 CG ASP A 21 6.838 2.504 13.006 1.00 1.18 C ATOM 315 OD1 ASP A 21 6.726 1.287 12.743 1.00 1.38 O ATOM 316 OD2 ASP A 21 5.883 3.188 13.435 1.00 1.83 O ATOM 0 H ASP A 21 10.489 3.310 10.654 1.00 0.61 H new ATOM 0 HA ASP A 21 8.495 2.380 10.855 1.00 0.61 H new ATOM 0 HB2 ASP A 21 8.968 2.571 13.256 1.00 0.69 H new ATOM 0 HB3 ASP A 21 8.192 4.142 13.299 1.00 0.69 H new ATOM 321 N ALA A 22 6.829 5.136 11.389 1.00 0.65 N ATOM 322 CA ALA A 22 5.821 6.025 10.840 1.00 0.68 C ATOM 323 C ALA A 22 6.463 7.254 10.205 1.00 0.62 C ATOM 324 O ALA A 22 6.494 8.334 10.796 1.00 0.72 O ATOM 325 CB ALA A 22 4.821 6.436 11.910 1.00 0.82 C ATOM 0 H ALA A 22 7.011 5.266 12.384 1.00 0.65 H new ATOM 0 HA ALA A 22 5.285 5.482 10.061 1.00 0.68 H new ATOM 0 HB1 ALA A 22 4.076 7.102 11.475 1.00 0.82 H new ATOM 0 HB2 ALA A 22 4.327 5.549 12.307 1.00 0.82 H new ATOM 0 HB3 ALA A 22 5.342 6.952 12.716 1.00 0.82 H new ATOM 331 N ALA A 23 7.006 7.067 9.015 1.00 0.59 N ATOM 332 CA ALA A 23 7.568 8.162 8.244 1.00 0.59 C ATOM 333 C ALA A 23 7.060 8.095 6.810 1.00 0.64 C ATOM 334 O ALA A 23 7.579 7.335 5.999 1.00 0.79 O ATOM 335 CB ALA A 23 9.088 8.117 8.277 1.00 0.71 C ATOM 0 H ALA A 23 7.070 6.157 8.558 1.00 0.59 H new ATOM 0 HA ALA A 23 7.250 9.106 8.688 1.00 0.59 H new ATOM 0 HB1 ALA A 23 9.489 8.946 7.694 1.00 0.71 H new ATOM 0 HB2 ALA A 23 9.432 8.199 9.308 1.00 0.71 H new ATOM 0 HB3 ALA A 23 9.433 7.174 7.853 1.00 0.71 H new ATOM 341 N PRO A 24 6.010 8.861 6.495 1.00 0.62 N ATOM 342 CA PRO A 24 5.394 8.844 5.170 1.00 0.72 C ATOM 343 C PRO A 24 6.267 9.509 4.114 1.00 0.78 C ATOM 344 O PRO A 24 6.273 10.732 3.976 1.00 1.12 O ATOM 345 CB PRO A 24 4.090 9.621 5.367 1.00 0.79 C ATOM 346 CG PRO A 24 4.350 10.521 6.528 1.00 0.75 C ATOM 347 CD PRO A 24 5.340 9.802 7.409 1.00 0.63 C ATOM 0 HA PRO A 24 5.242 7.828 4.806 1.00 0.72 H new ATOM 0 HB2 PRO A 24 3.832 10.192 4.475 1.00 0.79 H new ATOM 0 HB3 PRO A 24 3.256 8.948 5.568 1.00 0.79 H new ATOM 0 HG2 PRO A 24 4.750 11.479 6.195 1.00 0.75 H new ATOM 0 HG3 PRO A 24 3.428 10.732 7.070 1.00 0.75 H new ATOM 0 HD2 PRO A 24 6.050 10.495 7.860 1.00 0.63 H new ATOM 0 HD3 PRO A 24 4.842 9.279 8.226 1.00 0.63 H new ATOM 355 N ILE A 25 7.019 8.701 3.383 1.00 0.58 N ATOM 356 CA ILE A 25 7.884 9.229 2.334 1.00 0.64 C ATOM 357 C ILE A 25 7.116 9.365 1.028 1.00 0.59 C ATOM 358 O ILE A 25 7.388 10.250 0.212 1.00 0.95 O ATOM 359 CB ILE A 25 9.128 8.343 2.129 1.00 0.92 C ATOM 360 CG1 ILE A 25 9.833 8.149 3.467 1.00 1.73 C ATOM 361 CG2 ILE A 25 10.073 8.970 1.110 1.00 1.37 C ATOM 362 CD1 ILE A 25 11.177 7.458 3.357 1.00 2.58 C ATOM 0 H ILE A 25 7.050 7.687 3.493 1.00 0.58 H new ATOM 0 HA ILE A 25 8.222 10.215 2.651 1.00 0.64 H new ATOM 0 HB ILE A 25 8.817 7.372 1.742 1.00 0.92 H new ATOM 0 HG12 ILE A 25 9.973 9.122 3.937 1.00 1.73 H new ATOM 0 HG13 ILE A 25 9.189 7.566 4.125 1.00 1.73 H new ATOM 0 HG21 ILE A 25 10.945 8.329 0.980 1.00 1.37 H new ATOM 0 HG22 ILE A 25 9.558 9.080 0.156 1.00 1.37 H new ATOM 0 HG23 ILE A 25 10.393 9.950 1.465 1.00 1.37 H new ATOM 0 HD11 ILE A 25 11.616 7.356 4.349 1.00 2.58 H new ATOM 0 HD12 ILE A 25 11.043 6.470 2.916 1.00 2.58 H new ATOM 0 HD13 ILE A 25 11.840 8.050 2.726 1.00 2.58 H new ATOM 374 N GLY A 26 6.136 8.497 0.844 1.00 0.62 N ATOM 375 CA GLY A 26 5.301 8.577 -0.331 1.00 0.74 C ATOM 376 C GLY A 26 3.820 8.541 -0.001 1.00 0.56 C ATOM 377 O GLY A 26 3.139 7.590 -0.369 1.00 0.65 O ATOM 0 H GLY A 26 5.905 7.740 1.487 1.00 0.62 H new ATOM 0 HA2 GLY A 26 5.527 9.497 -0.870 1.00 0.74 H new ATOM 0 HA3 GLY A 26 5.540 7.749 -0.999 1.00 0.74 H new ATOM 381 N PRO A 27 3.289 9.545 0.733 1.00 0.48 N ATOM 382 CA PRO A 27 1.843 9.675 0.957 1.00 0.44 C ATOM 383 C PRO A 27 1.082 9.798 -0.360 1.00 0.48 C ATOM 384 O PRO A 27 1.135 10.832 -1.028 1.00 0.61 O ATOM 385 CB PRO A 27 1.702 10.965 1.778 1.00 0.51 C ATOM 386 CG PRO A 27 3.005 11.675 1.620 1.00 0.66 C ATOM 387 CD PRO A 27 4.038 10.604 1.425 1.00 0.67 C ATOM 0 HA PRO A 27 1.430 8.802 1.462 1.00 0.44 H new ATOM 0 HB2 PRO A 27 0.875 11.575 1.414 1.00 0.51 H new ATOM 0 HB3 PRO A 27 1.499 10.744 2.826 1.00 0.51 H new ATOM 0 HG2 PRO A 27 2.979 12.352 0.766 1.00 0.66 H new ATOM 0 HG3 PRO A 27 3.230 12.279 2.499 1.00 0.66 H new ATOM 0 HD2 PRO A 27 4.879 10.958 0.830 1.00 0.67 H new ATOM 0 HD3 PRO A 27 4.444 10.257 2.375 1.00 0.67 H new ATOM 395 N VAL A 28 0.396 8.734 -0.738 1.00 0.45 N ATOM 396 CA VAL A 28 -0.351 8.715 -1.981 1.00 0.54 C ATOM 397 C VAL A 28 -1.788 9.166 -1.740 1.00 0.57 C ATOM 398 O VAL A 28 -2.445 8.719 -0.799 1.00 0.58 O ATOM 399 CB VAL A 28 -0.325 7.314 -2.644 1.00 0.65 C ATOM 400 CG1 VAL A 28 -0.859 6.242 -1.707 1.00 1.18 C ATOM 401 CG2 VAL A 28 -1.102 7.319 -3.953 1.00 1.07 C ATOM 0 H VAL A 28 0.341 7.870 -0.199 1.00 0.45 H new ATOM 0 HA VAL A 28 0.129 9.411 -2.668 1.00 0.54 H new ATOM 0 HB VAL A 28 0.716 7.075 -2.862 1.00 0.65 H new ATOM 0 HG11 VAL A 28 -0.826 5.273 -2.206 1.00 1.18 H new ATOM 0 HG12 VAL A 28 -0.246 6.208 -0.806 1.00 1.18 H new ATOM 0 HG13 VAL A 28 -1.889 6.475 -1.436 1.00 1.18 H new ATOM 0 HG21 VAL A 28 -1.069 6.325 -4.399 1.00 1.07 H new ATOM 0 HG22 VAL A 28 -2.138 7.596 -3.760 1.00 1.07 H new ATOM 0 HG23 VAL A 28 -0.655 8.039 -4.638 1.00 1.07 H new ATOM 411 N THR A 29 -2.246 10.095 -2.559 1.00 0.61 N ATOM 412 CA THR A 29 -3.587 10.598 -2.467 1.00 0.67 C ATOM 413 C THR A 29 -4.550 9.709 -3.251 1.00 0.65 C ATOM 414 O THR A 29 -4.655 9.809 -4.474 1.00 0.75 O ATOM 415 CB THR A 29 -3.630 12.032 -3.007 1.00 0.79 C ATOM 416 OG1 THR A 29 -2.545 12.784 -2.442 1.00 1.64 O ATOM 417 CG2 THR A 29 -4.943 12.693 -2.660 1.00 1.37 C ATOM 0 H THR A 29 -1.691 10.517 -3.304 1.00 0.61 H new ATOM 0 HA THR A 29 -3.897 10.595 -1.422 1.00 0.67 H new ATOM 0 HB THR A 29 -3.535 12.003 -4.092 1.00 0.79 H new ATOM 0 HG1 THR A 29 -2.568 13.701 -2.786 1.00 1.64 H new ATOM 0 HG21 THR A 29 -4.953 13.710 -3.052 1.00 1.37 H new ATOM 0 HG22 THR A 29 -5.763 12.126 -3.100 1.00 1.37 H new ATOM 0 HG23 THR A 29 -5.061 12.721 -1.577 1.00 1.37 H new ATOM 425 N VAL A 30 -5.221 8.816 -2.541 1.00 0.62 N ATOM 426 CA VAL A 30 -6.193 7.932 -3.154 1.00 0.61 C ATOM 427 C VAL A 30 -7.567 8.572 -3.137 1.00 0.62 C ATOM 428 O VAL A 30 -8.148 8.780 -2.078 1.00 0.87 O ATOM 429 CB VAL A 30 -6.252 6.577 -2.424 1.00 0.77 C ATOM 430 CG1 VAL A 30 -7.446 5.754 -2.883 1.00 0.76 C ATOM 431 CG2 VAL A 30 -4.963 5.803 -2.657 1.00 1.01 C ATOM 0 H VAL A 30 -5.108 8.686 -1.536 1.00 0.62 H new ATOM 0 HA VAL A 30 -5.882 7.759 -4.184 1.00 0.61 H new ATOM 0 HB VAL A 30 -6.367 6.772 -1.358 1.00 0.77 H new ATOM 0 HG11 VAL A 30 -7.460 4.804 -2.349 1.00 0.76 H new ATOM 0 HG12 VAL A 30 -8.366 6.300 -2.675 1.00 0.76 H new ATOM 0 HG13 VAL A 30 -7.369 5.568 -3.954 1.00 0.76 H new ATOM 0 HG21 VAL A 30 -5.014 4.846 -2.137 1.00 1.01 H new ATOM 0 HG22 VAL A 30 -4.831 5.629 -3.725 1.00 1.01 H new ATOM 0 HG23 VAL A 30 -4.119 6.378 -2.276 1.00 1.01 H new ATOM 441 N GLN A 31 -8.084 8.857 -4.313 1.00 0.49 N ATOM 442 CA GLN A 31 -9.360 9.534 -4.442 1.00 0.52 C ATOM 443 C GLN A 31 -10.432 8.529 -4.855 1.00 0.49 C ATOM 444 O GLN A 31 -10.418 8.017 -5.972 1.00 0.54 O ATOM 445 CB GLN A 31 -9.227 10.667 -5.466 1.00 0.62 C ATOM 446 CG GLN A 31 -10.263 11.779 -5.339 1.00 1.15 C ATOM 447 CD GLN A 31 -11.639 11.386 -5.826 1.00 1.59 C ATOM 448 OE1 GLN A 31 -12.470 10.916 -5.053 1.00 2.48 O ATOM 449 NE2 GLN A 31 -11.888 11.580 -7.111 1.00 1.86 N ATOM 0 H GLN A 31 -7.637 8.629 -5.201 1.00 0.49 H new ATOM 0 HA GLN A 31 -9.657 9.968 -3.487 1.00 0.52 H new ATOM 0 HB2 GLN A 31 -8.233 11.105 -5.373 1.00 0.62 H new ATOM 0 HB3 GLN A 31 -9.295 10.241 -6.467 1.00 0.62 H new ATOM 0 HG2 GLN A 31 -10.330 12.083 -4.295 1.00 1.15 H new ATOM 0 HG3 GLN A 31 -9.922 12.647 -5.903 1.00 1.15 H new ATOM 0 HE21 GLN A 31 -11.167 11.973 -7.716 1.00 1.86 H new ATOM 0 HE22 GLN A 31 -12.801 11.336 -7.496 1.00 1.86 H new ATOM 458 N ALA A 32 -11.341 8.234 -3.940 1.00 0.53 N ATOM 459 CA ALA A 32 -12.396 7.265 -4.198 1.00 0.54 C ATOM 460 C ALA A 32 -13.635 7.951 -4.758 1.00 0.56 C ATOM 461 O ALA A 32 -14.365 8.626 -4.033 1.00 0.70 O ATOM 462 CB ALA A 32 -12.735 6.500 -2.925 1.00 0.61 C ATOM 0 H ALA A 32 -11.370 8.652 -3.010 1.00 0.53 H new ATOM 0 HA ALA A 32 -12.036 6.556 -4.943 1.00 0.54 H new ATOM 0 HB1 ALA A 32 -13.525 5.779 -3.133 1.00 0.61 H new ATOM 0 HB2 ALA A 32 -11.849 5.974 -2.570 1.00 0.61 H new ATOM 0 HB3 ALA A 32 -13.074 7.199 -2.160 1.00 0.61 H new ATOM 468 N LEU A 33 -13.850 7.776 -6.054 1.00 0.54 N ATOM 469 CA LEU A 33 -14.979 8.374 -6.745 1.00 0.64 C ATOM 470 C LEU A 33 -16.244 7.588 -6.450 1.00 0.75 C ATOM 471 O LEU A 33 -16.316 6.389 -6.726 1.00 0.84 O ATOM 472 CB LEU A 33 -14.726 8.385 -8.257 1.00 0.74 C ATOM 473 CG LEU A 33 -15.819 9.053 -9.095 1.00 1.28 C ATOM 474 CD1 LEU A 33 -15.879 10.546 -8.809 1.00 1.90 C ATOM 475 CD2 LEU A 33 -15.586 8.798 -10.575 1.00 1.94 C ATOM 0 H LEU A 33 -13.246 7.215 -6.654 1.00 0.54 H new ATOM 0 HA LEU A 33 -15.100 9.399 -6.394 1.00 0.64 H new ATOM 0 HB2 LEU A 33 -13.782 8.895 -8.448 1.00 0.74 H new ATOM 0 HB3 LEU A 33 -14.607 7.356 -8.597 1.00 0.74 H new ATOM 0 HG LEU A 33 -16.779 8.616 -8.819 1.00 1.28 H new ATOM 0 HD11 LEU A 33 -16.662 11.001 -9.415 1.00 1.90 H new ATOM 0 HD12 LEU A 33 -16.098 10.706 -7.753 1.00 1.90 H new ATOM 0 HD13 LEU A 33 -14.920 11.002 -9.054 1.00 1.90 H new ATOM 0 HD21 LEU A 33 -16.373 9.280 -11.156 1.00 1.94 H new ATOM 0 HD22 LEU A 33 -14.618 9.206 -10.866 1.00 1.94 H new ATOM 0 HD23 LEU A 33 -15.600 7.725 -10.766 1.00 1.94 H new ATOM 487 N GLY A 34 -17.230 8.262 -5.883 1.00 0.85 N ATOM 488 CA GLY A 34 -18.486 7.617 -5.579 1.00 1.06 C ATOM 489 C GLY A 34 -18.360 6.634 -4.438 1.00 0.98 C ATOM 490 O GLY A 34 -17.976 7.010 -3.327 1.00 1.81 O ATOM 0 H GLY A 34 -17.182 9.248 -5.627 1.00 0.85 H new ATOM 0 HA2 GLY A 34 -19.229 8.373 -5.325 1.00 1.06 H new ATOM 0 HA3 GLY A 34 -18.850 7.098 -6.466 1.00 1.06 H new ATOM 494 N CYS A 35 -18.678 5.370 -4.727 1.00 0.96 N ATOM 495 CA CYS A 35 -18.644 4.287 -3.740 1.00 0.86 C ATOM 496 C CYS A 35 -19.773 4.449 -2.719 1.00 0.96 C ATOM 497 O CYS A 35 -20.606 3.556 -2.570 1.00 1.88 O ATOM 498 CB CYS A 35 -17.272 4.210 -3.054 1.00 0.84 C ATOM 499 SG CYS A 35 -15.872 4.079 -4.218 1.00 1.18 S ATOM 0 H CYS A 35 -18.968 5.067 -5.657 1.00 0.96 H new ATOM 0 HA CYS A 35 -18.801 3.344 -4.263 1.00 0.86 H new ATOM 0 HB2 CYS A 35 -17.136 5.097 -2.435 1.00 0.84 H new ATOM 0 HB3 CYS A 35 -17.258 3.349 -2.386 1.00 0.84 H new ATOM 504 N ASN A 36 -19.793 5.595 -2.028 1.00 0.79 N ATOM 505 CA ASN A 36 -20.890 5.995 -1.133 1.00 0.72 C ATOM 506 C ASN A 36 -20.966 5.154 0.144 1.00 0.69 C ATOM 507 O ASN A 36 -21.073 5.699 1.241 1.00 0.80 O ATOM 508 CB ASN A 36 -22.228 5.955 -1.873 1.00 0.76 C ATOM 509 CG ASN A 36 -22.321 6.999 -2.970 1.00 1.29 C ATOM 510 OD1 ASN A 36 -21.719 8.070 -2.885 1.00 1.75 O ATOM 511 ND2 ASN A 36 -23.080 6.697 -4.011 1.00 2.14 N ATOM 0 H ASN A 36 -19.039 6.281 -2.074 1.00 0.79 H new ATOM 0 HA ASN A 36 -20.674 7.017 -0.822 1.00 0.72 H new ATOM 0 HB2 ASN A 36 -22.370 4.965 -2.306 1.00 0.76 H new ATOM 0 HB3 ASN A 36 -23.038 6.110 -1.160 1.00 0.76 H new ATOM 0 HD21 ASN A 36 -23.181 7.362 -4.778 1.00 2.14 H new ATOM 0 HD22 ASN A 36 -23.564 5.800 -4.046 1.00 2.14 H new ATOM 518 N ALA A 37 -20.910 3.839 0.002 1.00 0.65 N ATOM 519 CA ALA A 37 -20.980 2.927 1.133 1.00 0.74 C ATOM 520 C ALA A 37 -20.233 1.648 0.792 1.00 0.70 C ATOM 521 O ALA A 37 -20.827 0.643 0.408 1.00 0.94 O ATOM 522 CB ALA A 37 -22.429 2.626 1.507 1.00 0.93 C ATOM 0 H ALA A 37 -20.815 3.374 -0.901 1.00 0.65 H new ATOM 0 HA ALA A 37 -20.512 3.397 1.998 1.00 0.74 H new ATOM 0 HB1 ALA A 37 -22.451 1.942 2.355 1.00 0.93 H new ATOM 0 HB2 ALA A 37 -22.936 3.553 1.775 1.00 0.93 H new ATOM 0 HB3 ALA A 37 -22.936 2.168 0.658 1.00 0.93 H new ATOM 528 N ARG A 38 -18.917 1.718 0.869 1.00 0.59 N ATOM 529 CA ARG A 38 -18.076 0.592 0.501 1.00 0.61 C ATOM 530 C ARG A 38 -16.721 0.683 1.205 1.00 0.50 C ATOM 531 O ARG A 38 -16.224 1.781 1.468 1.00 0.50 O ATOM 532 CB ARG A 38 -17.893 0.596 -1.019 1.00 0.71 C ATOM 533 CG ARG A 38 -17.459 -0.734 -1.613 1.00 0.98 C ATOM 534 CD ARG A 38 -18.340 -1.889 -1.152 1.00 2.02 C ATOM 535 NE ARG A 38 -19.772 -1.598 -1.265 1.00 2.78 N ATOM 536 CZ ARG A 38 -20.619 -2.295 -2.026 1.00 3.70 C ATOM 537 NH1 ARG A 38 -20.163 -3.242 -2.840 1.00 4.05 N ATOM 538 NH2 ARG A 38 -21.920 -2.040 -1.973 1.00 4.64 N ATOM 0 H ARG A 38 -18.406 2.543 1.183 1.00 0.59 H new ATOM 0 HA ARG A 38 -18.550 -0.339 0.812 1.00 0.61 H new ATOM 0 HB2 ARG A 38 -18.833 0.896 -1.483 1.00 0.71 H new ATOM 0 HB3 ARG A 38 -17.153 1.353 -1.280 1.00 0.71 H new ATOM 0 HG2 ARG A 38 -17.488 -0.670 -2.701 1.00 0.98 H new ATOM 0 HG3 ARG A 38 -16.425 -0.934 -1.333 1.00 0.98 H new ATOM 0 HD2 ARG A 38 -18.107 -2.775 -1.743 1.00 2.02 H new ATOM 0 HD3 ARG A 38 -18.104 -2.127 -0.115 1.00 2.02 H new ATOM 0 HE ARG A 38 -20.145 -0.814 -0.729 1.00 2.78 H new ATOM 0 HH11 ARG A 38 -19.163 -3.438 -2.885 1.00 4.05 H new ATOM 0 HH12 ARG A 38 -20.813 -3.773 -3.420 1.00 4.05 H new ATOM 0 HH21 ARG A 38 -22.272 -1.312 -1.351 1.00 4.64 H new ATOM 0 HH22 ARG A 38 -22.568 -2.572 -2.554 1.00 4.64 H new ATOM 552 N GLN A 39 -16.150 -0.469 1.536 1.00 0.48 N ATOM 553 CA GLN A 39 -14.829 -0.531 2.150 1.00 0.42 C ATOM 554 C GLN A 39 -13.740 -0.460 1.084 1.00 0.42 C ATOM 555 O GLN A 39 -13.649 -1.330 0.224 1.00 0.62 O ATOM 556 CB GLN A 39 -14.693 -1.827 2.957 1.00 0.47 C ATOM 557 CG GLN A 39 -15.601 -1.882 4.175 1.00 0.64 C ATOM 558 CD GLN A 39 -15.833 -3.293 4.690 1.00 0.87 C ATOM 559 OE1 GLN A 39 -14.994 -4.180 4.542 1.00 1.75 O ATOM 560 NE2 GLN A 39 -16.985 -3.504 5.307 1.00 1.40 N ATOM 0 H GLN A 39 -16.585 -1.380 1.388 1.00 0.48 H new ATOM 0 HA GLN A 39 -14.712 0.322 2.819 1.00 0.42 H new ATOM 0 HB2 GLN A 39 -14.916 -2.674 2.309 1.00 0.47 H new ATOM 0 HB3 GLN A 39 -13.658 -1.937 3.280 1.00 0.47 H new ATOM 0 HG2 GLN A 39 -15.165 -1.279 4.972 1.00 0.64 H new ATOM 0 HG3 GLN A 39 -16.562 -1.432 3.924 1.00 0.64 H new ATOM 0 HE21 GLN A 39 -17.655 -2.742 5.410 1.00 1.40 H new ATOM 0 HE22 GLN A 39 -17.202 -4.428 5.680 1.00 1.40 H new ATOM 569 N VAL A 40 -12.935 0.591 1.125 1.00 0.36 N ATOM 570 CA VAL A 40 -11.810 0.729 0.209 1.00 0.38 C ATOM 571 C VAL A 40 -10.607 -0.031 0.755 1.00 0.35 C ATOM 572 O VAL A 40 -10.181 0.212 1.882 1.00 0.41 O ATOM 573 CB VAL A 40 -11.430 2.211 -0.006 1.00 0.44 C ATOM 574 CG1 VAL A 40 -10.269 2.337 -0.982 1.00 0.49 C ATOM 575 CG2 VAL A 40 -12.632 3.008 -0.498 1.00 0.54 C ATOM 0 H VAL A 40 -13.039 1.363 1.784 1.00 0.36 H new ATOM 0 HA VAL A 40 -12.109 0.314 -0.753 1.00 0.38 H new ATOM 0 HB VAL A 40 -11.114 2.622 0.953 1.00 0.44 H new ATOM 0 HG11 VAL A 40 -10.020 3.390 -1.117 1.00 0.49 H new ATOM 0 HG12 VAL A 40 -9.402 1.807 -0.587 1.00 0.49 H new ATOM 0 HG13 VAL A 40 -10.552 1.905 -1.942 1.00 0.49 H new ATOM 0 HG21 VAL A 40 -12.344 4.049 -0.643 1.00 0.54 H new ATOM 0 HG22 VAL A 40 -12.981 2.593 -1.443 1.00 0.54 H new ATOM 0 HG23 VAL A 40 -13.432 2.953 0.240 1.00 0.54 H new ATOM 585 N ALA A 41 -10.065 -0.940 -0.046 1.00 0.29 N ATOM 586 CA ALA A 41 -9.018 -1.829 0.389 1.00 0.28 C ATOM 587 C ALA A 41 -7.815 -1.725 -0.537 1.00 0.26 C ATOM 588 O ALA A 41 -7.964 -1.644 -1.756 1.00 0.35 O ATOM 589 CB ALA A 41 -9.543 -3.255 0.406 1.00 0.36 C ATOM 0 H ALA A 41 -10.347 -1.074 -1.017 1.00 0.29 H new ATOM 0 HA ALA A 41 -8.703 -1.546 1.394 1.00 0.28 H new ATOM 0 HB1 ALA A 41 -8.753 -3.930 0.735 1.00 0.36 H new ATOM 0 HB2 ALA A 41 -10.387 -3.324 1.092 1.00 0.36 H new ATOM 0 HB3 ALA A 41 -9.866 -3.536 -0.596 1.00 0.36 H new ATOM 595 N LEU A 42 -6.630 -1.742 0.039 1.00 0.27 N ATOM 596 CA LEU A 42 -5.405 -1.670 -0.738 1.00 0.31 C ATOM 597 C LEU A 42 -4.777 -3.048 -0.836 1.00 0.31 C ATOM 598 O LEU A 42 -4.640 -3.746 0.169 1.00 0.48 O ATOM 599 CB LEU A 42 -4.417 -0.707 -0.084 1.00 0.39 C ATOM 600 CG LEU A 42 -5.034 0.589 0.436 1.00 0.52 C ATOM 601 CD1 LEU A 42 -3.997 1.409 1.183 1.00 0.80 C ATOM 602 CD2 LEU A 42 -5.632 1.402 -0.705 1.00 0.84 C ATOM 0 H LEU A 42 -6.487 -1.805 1.047 1.00 0.27 H new ATOM 0 HA LEU A 42 -5.647 -1.307 -1.737 1.00 0.31 H new ATOM 0 HB2 LEU A 42 -3.928 -1.218 0.745 1.00 0.39 H new ATOM 0 HB3 LEU A 42 -3.641 -0.458 -0.808 1.00 0.39 H new ATOM 0 HG LEU A 42 -5.836 0.329 1.127 1.00 0.52 H new ATOM 0 HD11 LEU A 42 -4.454 2.329 1.547 1.00 0.80 H new ATOM 0 HD12 LEU A 42 -3.618 0.834 2.028 1.00 0.80 H new ATOM 0 HD13 LEU A 42 -3.174 1.653 0.512 1.00 0.80 H new ATOM 0 HD21 LEU A 42 -6.065 2.320 -0.309 1.00 0.84 H new ATOM 0 HD22 LEU A 42 -4.851 1.650 -1.424 1.00 0.84 H new ATOM 0 HD23 LEU A 42 -6.408 0.818 -1.200 1.00 0.84 H new ATOM 614 N LYS A 43 -4.450 -3.459 -2.049 1.00 0.34 N ATOM 615 CA LYS A 43 -3.781 -4.728 -2.272 1.00 0.37 C ATOM 616 C LYS A 43 -2.460 -4.480 -2.956 1.00 0.38 C ATOM 617 O LYS A 43 -2.297 -3.495 -3.674 1.00 0.53 O ATOM 618 CB LYS A 43 -4.636 -5.687 -3.115 1.00 0.42 C ATOM 619 CG LYS A 43 -5.809 -6.288 -2.363 1.00 0.49 C ATOM 620 CD LYS A 43 -6.876 -5.257 -2.063 1.00 1.00 C ATOM 621 CE LYS A 43 -7.533 -5.548 -0.737 1.00 1.29 C ATOM 622 NZ LYS A 43 -8.084 -6.923 -0.684 1.00 1.93 N ATOM 0 H LYS A 43 -4.639 -2.928 -2.899 1.00 0.34 H new ATOM 0 HA LYS A 43 -3.620 -5.201 -1.303 1.00 0.37 H new ATOM 0 HB2 LYS A 43 -5.012 -5.152 -3.987 1.00 0.42 H new ATOM 0 HB3 LYS A 43 -4.003 -6.493 -3.485 1.00 0.42 H new ATOM 0 HG2 LYS A 43 -6.241 -7.097 -2.952 1.00 0.49 H new ATOM 0 HG3 LYS A 43 -5.456 -6.727 -1.430 1.00 0.49 H new ATOM 0 HD2 LYS A 43 -6.433 -4.261 -2.045 1.00 1.00 H new ATOM 0 HD3 LYS A 43 -7.625 -5.259 -2.855 1.00 1.00 H new ATOM 0 HE2 LYS A 43 -6.806 -5.417 0.065 1.00 1.29 H new ATOM 0 HE3 LYS A 43 -8.333 -4.829 -0.563 1.00 1.29 H new ATOM 0 HZ1 LYS A 43 -8.836 -6.968 0.033 1.00 1.93 H new ATOM 0 HZ2 LYS A 43 -8.476 -7.176 -1.613 1.00 1.93 H new ATOM 0 HZ3 LYS A 43 -7.327 -7.591 -0.434 1.00 1.93 H new ATOM 636 N ALA A 44 -1.513 -5.354 -2.720 1.00 0.36 N ATOM 637 CA ALA A 44 -0.214 -5.218 -3.326 1.00 0.37 C ATOM 638 C ALA A 44 -0.082 -6.144 -4.522 1.00 0.34 C ATOM 639 O ALA A 44 -0.746 -7.177 -4.602 1.00 0.36 O ATOM 640 CB ALA A 44 0.867 -5.486 -2.301 1.00 0.41 C ATOM 0 H ALA A 44 -1.618 -6.167 -2.113 1.00 0.36 H new ATOM 0 HA ALA A 44 -0.097 -4.196 -3.686 1.00 0.37 H new ATOM 0 HB1 ALA A 44 1.846 -5.381 -2.769 1.00 0.41 H new ATOM 0 HB2 ALA A 44 0.777 -4.772 -1.482 1.00 0.41 H new ATOM 0 HB3 ALA A 44 0.757 -6.499 -1.913 1.00 0.41 H new ATOM 646 N ASP A 45 0.763 -5.747 -5.453 1.00 0.36 N ATOM 647 CA ASP A 45 1.013 -6.522 -6.654 1.00 0.39 C ATOM 648 C ASP A 45 1.889 -7.719 -6.318 1.00 0.37 C ATOM 649 O ASP A 45 2.729 -7.634 -5.427 1.00 0.35 O ATOM 650 CB ASP A 45 1.685 -5.643 -7.710 1.00 0.45 C ATOM 651 CG ASP A 45 1.932 -6.382 -9.010 1.00 0.57 C ATOM 652 OD1 ASP A 45 3.011 -6.993 -9.158 1.00 0.64 O ATOM 653 OD2 ASP A 45 1.041 -6.357 -9.888 1.00 0.71 O ATOM 0 H ASP A 45 1.296 -4.879 -5.399 1.00 0.36 H new ATOM 0 HA ASP A 45 0.066 -6.883 -7.056 1.00 0.39 H new ATOM 0 HB2 ASP A 45 1.059 -4.772 -7.904 1.00 0.45 H new ATOM 0 HB3 ASP A 45 2.633 -5.274 -7.320 1.00 0.45 H new ATOM 658 N THR A 46 1.702 -8.815 -7.041 1.00 0.47 N ATOM 659 CA THR A 46 2.358 -10.081 -6.729 1.00 0.55 C ATOM 660 C THR A 46 3.890 -9.976 -6.714 1.00 0.47 C ATOM 661 O THR A 46 4.563 -10.854 -6.172 1.00 0.56 O ATOM 662 CB THR A 46 1.924 -11.186 -7.715 1.00 0.76 C ATOM 663 OG1 THR A 46 2.488 -12.445 -7.327 1.00 1.40 O ATOM 664 CG2 THR A 46 2.347 -10.855 -9.139 1.00 0.99 C ATOM 0 H THR A 46 1.093 -8.853 -7.859 1.00 0.47 H new ATOM 0 HA THR A 46 2.039 -10.344 -5.721 1.00 0.55 H new ATOM 0 HB THR A 46 0.836 -11.249 -7.685 1.00 0.76 H new ATOM 0 HG1 THR A 46 3.291 -12.291 -6.787 1.00 1.40 H new ATOM 0 HG21 THR A 46 2.026 -11.653 -9.809 1.00 0.99 H new ATOM 0 HG22 THR A 46 1.886 -9.916 -9.447 1.00 0.99 H new ATOM 0 HG23 THR A 46 3.432 -10.758 -9.183 1.00 0.99 H new ATOM 672 N ASP A 47 4.444 -8.919 -7.301 1.00 0.42 N ATOM 673 CA ASP A 47 5.890 -8.714 -7.276 1.00 0.50 C ATOM 674 C ASP A 47 6.349 -8.364 -5.861 1.00 0.43 C ATOM 675 O ASP A 47 7.442 -8.739 -5.439 1.00 0.47 O ATOM 676 CB ASP A 47 6.303 -7.611 -8.258 1.00 0.66 C ATOM 677 CG ASP A 47 7.811 -7.467 -8.380 1.00 1.42 C ATOM 678 OD1 ASP A 47 8.498 -8.481 -8.631 1.00 1.72 O ATOM 679 OD2 ASP A 47 8.321 -6.338 -8.208 1.00 2.22 O ATOM 0 H ASP A 47 3.920 -8.197 -7.796 1.00 0.42 H new ATOM 0 HA ASP A 47 6.372 -9.642 -7.584 1.00 0.50 H new ATOM 0 HB2 ASP A 47 5.883 -7.829 -9.240 1.00 0.66 H new ATOM 0 HB3 ASP A 47 5.877 -6.662 -7.932 1.00 0.66 H new ATOM 684 N ASN A 48 5.486 -7.680 -5.121 1.00 0.38 N ATOM 685 CA ASN A 48 5.795 -7.255 -3.760 1.00 0.39 C ATOM 686 C ASN A 48 4.737 -7.785 -2.786 1.00 0.37 C ATOM 687 O ASN A 48 4.591 -7.283 -1.670 1.00 0.42 O ATOM 688 CB ASN A 48 5.880 -5.717 -3.682 1.00 0.50 C ATOM 689 CG ASN A 48 4.580 -5.023 -4.036 1.00 0.65 C ATOM 690 OD1 ASN A 48 4.294 -4.766 -5.204 1.00 1.35 O ATOM 691 ND2 ASN A 48 3.802 -4.677 -3.026 1.00 1.19 N ATOM 0 H ASN A 48 4.558 -7.405 -5.443 1.00 0.38 H new ATOM 0 HA ASN A 48 6.764 -7.667 -3.478 1.00 0.39 H new ATOM 0 HB2 ASN A 48 6.175 -5.428 -2.673 1.00 0.50 H new ATOM 0 HB3 ASN A 48 6.664 -5.369 -4.355 1.00 0.50 H new ATOM 0 HD21 ASN A 48 2.930 -4.179 -3.202 1.00 1.19 H new ATOM 0 HD22 ASN A 48 4.074 -4.908 -2.070 1.00 1.19 H new ATOM 698 N PHE A 49 4.021 -8.821 -3.221 1.00 0.35 N ATOM 699 CA PHE A 49 2.941 -9.425 -2.441 1.00 0.36 C ATOM 700 C PHE A 49 2.983 -10.941 -2.583 1.00 0.38 C ATOM 701 O PHE A 49 2.634 -11.486 -3.633 1.00 0.39 O ATOM 702 CB PHE A 49 1.597 -8.891 -2.942 1.00 0.38 C ATOM 703 CG PHE A 49 0.363 -9.371 -2.217 1.00 0.38 C ATOM 704 CD1 PHE A 49 -0.149 -8.667 -1.136 1.00 0.39 C ATOM 705 CD2 PHE A 49 -0.320 -10.495 -2.662 1.00 0.51 C ATOM 706 CE1 PHE A 49 -1.311 -9.078 -0.517 1.00 0.42 C ATOM 707 CE2 PHE A 49 -1.477 -10.914 -2.035 1.00 0.56 C ATOM 708 CZ PHE A 49 -1.975 -10.201 -0.963 1.00 0.46 C ATOM 0 H PHE A 49 4.174 -9.266 -4.126 1.00 0.35 H new ATOM 0 HA PHE A 49 3.065 -9.168 -1.389 1.00 0.36 H new ATOM 0 HB2 PHE A 49 1.622 -7.803 -2.887 1.00 0.38 H new ATOM 0 HB3 PHE A 49 1.497 -9.155 -3.995 1.00 0.38 H new ATOM 0 HD1 PHE A 49 0.367 -7.789 -0.776 1.00 0.39 H new ATOM 0 HD2 PHE A 49 0.058 -11.048 -3.509 1.00 0.51 H new ATOM 0 HE1 PHE A 49 -1.702 -8.518 0.320 1.00 0.42 H new ATOM 0 HE2 PHE A 49 -1.991 -11.798 -2.383 1.00 0.56 H new ATOM 0 HZ PHE A 49 -2.883 -10.522 -0.475 1.00 0.46 H new ATOM 718 N GLU A 50 3.423 -11.621 -1.541 1.00 0.44 N ATOM 719 CA GLU A 50 3.493 -13.072 -1.566 1.00 0.52 C ATOM 720 C GLU A 50 2.405 -13.669 -0.689 1.00 0.52 C ATOM 721 O GLU A 50 2.467 -13.560 0.536 1.00 0.54 O ATOM 722 CB GLU A 50 4.866 -13.557 -1.105 1.00 0.65 C ATOM 723 CG GLU A 50 6.003 -13.098 -1.999 1.00 1.22 C ATOM 724 CD GLU A 50 7.314 -13.760 -1.646 1.00 1.82 C ATOM 725 OE1 GLU A 50 7.499 -14.943 -2.004 1.00 2.15 O ATOM 726 OE2 GLU A 50 8.163 -13.113 -1.002 1.00 2.41 O ATOM 0 H GLU A 50 3.737 -11.195 -0.669 1.00 0.44 H new ATOM 0 HA GLU A 50 3.339 -13.402 -2.593 1.00 0.52 H new ATOM 0 HB2 GLU A 50 5.046 -13.201 -0.090 1.00 0.65 H new ATOM 0 HB3 GLU A 50 4.863 -14.646 -1.065 1.00 0.65 H new ATOM 0 HG2 GLU A 50 5.756 -13.317 -3.038 1.00 1.22 H new ATOM 0 HG3 GLU A 50 6.112 -12.016 -1.918 1.00 1.22 H new ATOM 733 N GLN A 51 1.397 -14.262 -1.336 1.00 0.63 N ATOM 734 CA GLN A 51 0.282 -14.935 -0.655 1.00 0.76 C ATOM 735 C GLN A 51 -0.653 -13.935 0.027 1.00 0.72 C ATOM 736 O GLN A 51 -1.860 -13.943 -0.213 1.00 1.07 O ATOM 737 CB GLN A 51 0.788 -15.968 0.360 1.00 0.87 C ATOM 738 CG GLN A 51 -0.327 -16.721 1.067 1.00 1.71 C ATOM 739 CD GLN A 51 0.174 -17.876 1.911 1.00 2.56 C ATOM 740 OE1 GLN A 51 0.272 -19.008 1.439 1.00 2.92 O ATOM 741 NE2 GLN A 51 0.495 -17.603 3.163 1.00 3.43 N ATOM 0 H GLN A 51 1.330 -14.290 -2.353 1.00 0.63 H new ATOM 0 HA GLN A 51 -0.287 -15.458 -1.423 1.00 0.76 H new ATOM 0 HB2 GLN A 51 1.431 -16.684 -0.152 1.00 0.87 H new ATOM 0 HB3 GLN A 51 1.403 -15.463 1.105 1.00 0.87 H new ATOM 0 HG2 GLN A 51 -0.879 -16.028 1.702 1.00 1.71 H new ATOM 0 HG3 GLN A 51 -1.029 -17.100 0.324 1.00 1.71 H new ATOM 0 HE21 GLN A 51 0.400 -16.651 3.518 1.00 3.43 H new ATOM 0 HE22 GLN A 51 0.838 -18.344 3.775 1.00 3.43 H new ATOM 750 N GLY A 52 -0.093 -13.077 0.867 1.00 0.56 N ATOM 751 CA GLY A 52 -0.895 -12.120 1.595 1.00 0.52 C ATOM 752 C GLY A 52 -0.065 -11.234 2.498 1.00 0.48 C ATOM 753 O GLY A 52 -0.522 -10.827 3.564 1.00 0.52 O ATOM 0 H GLY A 52 0.908 -13.028 1.057 1.00 0.56 H new ATOM 0 HA2 GLY A 52 -1.444 -11.499 0.888 1.00 0.52 H new ATOM 0 HA3 GLY A 52 -1.635 -12.652 2.194 1.00 0.52 H new ATOM 757 N LYS A 53 1.163 -10.955 2.080 1.00 0.47 N ATOM 758 CA LYS A 53 2.026 -10.015 2.777 1.00 0.47 C ATOM 759 C LYS A 53 2.674 -9.098 1.756 1.00 0.42 C ATOM 760 O LYS A 53 3.149 -9.565 0.720 1.00 0.41 O ATOM 761 CB LYS A 53 3.126 -10.741 3.551 1.00 0.53 C ATOM 762 CG LYS A 53 2.623 -11.758 4.570 1.00 1.01 C ATOM 763 CD LYS A 53 1.890 -11.094 5.729 1.00 0.65 C ATOM 764 CE LYS A 53 1.382 -12.121 6.730 1.00 1.27 C ATOM 765 NZ LYS A 53 0.699 -11.485 7.889 1.00 2.12 N ATOM 0 H LYS A 53 1.586 -11.373 1.251 1.00 0.47 H new ATOM 0 HA LYS A 53 1.420 -9.448 3.484 1.00 0.47 H new ATOM 0 HB2 LYS A 53 3.776 -11.251 2.840 1.00 0.53 H new ATOM 0 HB3 LYS A 53 3.737 -10.001 4.068 1.00 0.53 H new ATOM 0 HG2 LYS A 53 1.956 -12.465 4.077 1.00 1.01 H new ATOM 0 HG3 LYS A 53 3.466 -12.331 4.956 1.00 1.01 H new ATOM 0 HD2 LYS A 53 2.559 -10.395 6.231 1.00 0.65 H new ATOM 0 HD3 LYS A 53 1.051 -10.513 5.345 1.00 0.65 H new ATOM 0 HE2 LYS A 53 0.691 -12.801 6.232 1.00 1.27 H new ATOM 0 HE3 LYS A 53 2.218 -12.722 7.088 1.00 1.27 H new ATOM 0 HZ1 LYS A 53 0.369 -12.222 8.545 1.00 2.12 H new ATOM 0 HZ2 LYS A 53 1.364 -10.856 8.381 1.00 2.12 H new ATOM 0 HZ3 LYS A 53 -0.115 -10.932 7.552 1.00 2.12 H new ATOM 779 N PHE A 54 2.694 -7.808 2.033 1.00 0.44 N ATOM 780 CA PHE A 54 3.317 -6.869 1.123 1.00 0.41 C ATOM 781 C PHE A 54 4.570 -6.242 1.714 1.00 0.39 C ATOM 782 O PHE A 54 4.689 -6.064 2.929 1.00 0.44 O ATOM 783 CB PHE A 54 2.326 -5.798 0.643 1.00 0.43 C ATOM 784 CG PHE A 54 1.480 -5.128 1.699 1.00 0.44 C ATOM 785 CD1 PHE A 54 2.008 -4.736 2.918 1.00 0.53 C ATOM 786 CD2 PHE A 54 0.139 -4.880 1.451 1.00 0.41 C ATOM 787 CE1 PHE A 54 1.216 -4.115 3.867 1.00 0.56 C ATOM 788 CE2 PHE A 54 -0.657 -4.256 2.393 1.00 0.44 C ATOM 789 CZ PHE A 54 -0.118 -3.875 3.603 1.00 0.51 C ATOM 0 H PHE A 54 2.290 -7.391 2.872 1.00 0.44 H new ATOM 0 HA PHE A 54 3.629 -7.441 0.249 1.00 0.41 H new ATOM 0 HB2 PHE A 54 2.889 -5.026 0.119 1.00 0.43 H new ATOM 0 HB3 PHE A 54 1.658 -6.256 -0.086 1.00 0.43 H new ATOM 0 HD1 PHE A 54 3.051 -4.917 3.130 1.00 0.53 H new ATOM 0 HD2 PHE A 54 -0.291 -5.179 0.506 1.00 0.41 H new ATOM 0 HE1 PHE A 54 1.641 -3.818 4.814 1.00 0.56 H new ATOM 0 HE2 PHE A 54 -1.699 -4.067 2.181 1.00 0.44 H new ATOM 0 HZ PHE A 54 -0.737 -3.390 4.343 1.00 0.51 H new ATOM 799 N PHE A 55 5.506 -5.929 0.834 1.00 0.37 N ATOM 800 CA PHE A 55 6.788 -5.369 1.221 1.00 0.36 C ATOM 801 C PHE A 55 7.394 -4.588 0.064 1.00 0.42 C ATOM 802 O PHE A 55 6.875 -4.614 -1.051 1.00 0.55 O ATOM 803 CB PHE A 55 7.747 -6.490 1.646 1.00 0.36 C ATOM 804 CG PHE A 55 7.756 -7.668 0.706 1.00 0.39 C ATOM 805 CD1 PHE A 55 8.400 -7.596 -0.522 1.00 0.41 C ATOM 806 CD2 PHE A 55 7.114 -8.846 1.051 1.00 0.53 C ATOM 807 CE1 PHE A 55 8.401 -8.676 -1.383 1.00 0.48 C ATOM 808 CE2 PHE A 55 7.113 -9.930 0.192 1.00 0.59 C ATOM 809 CZ PHE A 55 7.757 -9.843 -1.027 1.00 0.54 C ATOM 0 H PHE A 55 5.397 -6.057 -0.172 1.00 0.37 H new ATOM 0 HA PHE A 55 6.631 -4.693 2.062 1.00 0.36 H new ATOM 0 HB2 PHE A 55 8.757 -6.085 1.717 1.00 0.36 H new ATOM 0 HB3 PHE A 55 7.471 -6.834 2.643 1.00 0.36 H new ATOM 0 HD1 PHE A 55 8.906 -6.685 -0.807 1.00 0.41 H new ATOM 0 HD2 PHE A 55 6.608 -8.919 2.002 1.00 0.53 H new ATOM 0 HE1 PHE A 55 8.906 -8.607 -2.335 1.00 0.48 H new ATOM 0 HE2 PHE A 55 6.610 -10.843 0.474 1.00 0.59 H new ATOM 0 HZ PHE A 55 7.756 -10.687 -1.700 1.00 0.54 H new ATOM 819 N LEU A 56 8.478 -3.884 0.342 1.00 0.37 N ATOM 820 CA LEU A 56 9.252 -3.224 -0.694 1.00 0.44 C ATOM 821 C LEU A 56 10.228 -4.231 -1.284 1.00 0.44 C ATOM 822 O LEU A 56 11.111 -4.719 -0.577 1.00 0.53 O ATOM 823 CB LEU A 56 10.042 -2.043 -0.111 1.00 0.53 C ATOM 824 CG LEU A 56 9.317 -1.203 0.942 1.00 0.81 C ATOM 825 CD1 LEU A 56 10.268 -0.179 1.542 1.00 1.53 C ATOM 826 CD2 LEU A 56 8.106 -0.512 0.341 1.00 1.27 C ATOM 0 H LEU A 56 8.844 -3.755 1.285 1.00 0.37 H new ATOM 0 HA LEU A 56 8.575 -2.846 -1.460 1.00 0.44 H new ATOM 0 HB2 LEU A 56 10.960 -2.429 0.331 1.00 0.53 H new ATOM 0 HB3 LEU A 56 10.334 -1.387 -0.931 1.00 0.53 H new ATOM 0 HG LEU A 56 8.971 -1.868 1.733 1.00 0.81 H new ATOM 0 HD11 LEU A 56 9.741 0.413 2.290 1.00 1.53 H new ATOM 0 HD12 LEU A 56 11.107 -0.693 2.011 1.00 1.53 H new ATOM 0 HD13 LEU A 56 10.639 0.478 0.755 1.00 1.53 H new ATOM 0 HD21 LEU A 56 7.606 0.079 1.108 1.00 1.27 H new ATOM 0 HD22 LEU A 56 8.426 0.142 -0.470 1.00 1.27 H new ATOM 0 HD23 LEU A 56 7.415 -1.261 -0.047 1.00 1.27 H new ATOM 838 N ILE A 57 10.073 -4.566 -2.557 1.00 0.42 N ATOM 839 CA ILE A 57 10.956 -5.542 -3.175 1.00 0.45 C ATOM 840 C ILE A 57 11.923 -4.867 -4.144 1.00 0.46 C ATOM 841 O ILE A 57 11.525 -4.261 -5.135 1.00 0.52 O ATOM 842 CB ILE A 57 10.174 -6.678 -3.882 1.00 0.53 C ATOM 843 CG1 ILE A 57 11.139 -7.701 -4.488 1.00 0.57 C ATOM 844 CG2 ILE A 57 9.240 -6.130 -4.948 1.00 0.62 C ATOM 845 CD1 ILE A 57 12.013 -8.394 -3.464 1.00 0.57 C ATOM 0 H ILE A 57 9.356 -4.183 -3.173 1.00 0.42 H new ATOM 0 HA ILE A 57 11.533 -6.001 -2.372 1.00 0.45 H new ATOM 0 HB ILE A 57 9.564 -7.177 -3.130 1.00 0.53 H new ATOM 0 HG12 ILE A 57 10.565 -8.452 -5.030 1.00 0.57 H new ATOM 0 HG13 ILE A 57 11.776 -7.199 -5.216 1.00 0.57 H new ATOM 0 HG21 ILE A 57 8.708 -6.954 -5.424 1.00 0.62 H new ATOM 0 HG22 ILE A 57 8.522 -5.451 -4.488 1.00 0.62 H new ATOM 0 HG23 ILE A 57 9.820 -5.592 -5.698 1.00 0.62 H new ATOM 0 HD11 ILE A 57 12.670 -9.104 -3.967 1.00 0.57 H new ATOM 0 HD12 ILE A 57 12.615 -7.653 -2.938 1.00 0.57 H new ATOM 0 HD13 ILE A 57 11.385 -8.925 -2.749 1.00 0.57 H new ATOM 857 N SER A 58 13.201 -4.956 -3.821 1.00 0.52 N ATOM 858 CA SER A 58 14.253 -4.375 -4.641 1.00 0.62 C ATOM 859 C SER A 58 14.296 -5.008 -6.030 1.00 0.72 C ATOM 860 O SER A 58 13.952 -6.180 -6.195 1.00 0.77 O ATOM 861 CB SER A 58 15.591 -4.587 -3.944 1.00 0.78 C ATOM 862 OG SER A 58 15.745 -5.949 -3.585 1.00 1.44 O ATOM 0 H SER A 58 13.540 -5.432 -2.985 1.00 0.52 H new ATOM 0 HA SER A 58 14.048 -3.312 -4.765 1.00 0.62 H new ATOM 0 HB2 SER A 58 16.405 -4.283 -4.602 1.00 0.78 H new ATOM 0 HB3 SER A 58 15.649 -3.960 -3.054 1.00 0.78 H new ATOM 0 HG SER A 58 15.246 -6.129 -2.761 1.00 1.44 H new ATOM 868 N ASP A 59 14.748 -4.235 -7.012 1.00 0.97 N ATOM 869 CA ASP A 59 14.895 -4.722 -8.383 1.00 1.18 C ATOM 870 C ASP A 59 16.019 -5.752 -8.463 1.00 1.20 C ATOM 871 O ASP A 59 16.042 -6.600 -9.351 1.00 1.34 O ATOM 872 CB ASP A 59 15.183 -3.558 -9.339 1.00 1.57 C ATOM 873 CG ASP A 59 16.589 -3.004 -9.191 1.00 1.80 C ATOM 874 OD1 ASP A 59 16.933 -2.533 -8.086 1.00 2.17 O ATOM 875 OD2 ASP A 59 17.361 -3.045 -10.174 1.00 2.31 O ATOM 0 H ASP A 59 15.021 -3.261 -6.884 1.00 0.97 H new ATOM 0 HA ASP A 59 13.960 -5.196 -8.680 1.00 1.18 H new ATOM 0 HB2 ASP A 59 15.037 -3.893 -10.366 1.00 1.57 H new ATOM 0 HB3 ASP A 59 14.463 -2.760 -9.159 1.00 1.57 H new ATOM 880 N ASN A 60 16.945 -5.671 -7.517 1.00 1.26 N ATOM 881 CA ASN A 60 18.045 -6.628 -7.425 1.00 1.52 C ATOM 882 C ASN A 60 17.688 -7.764 -6.477 1.00 1.40 C ATOM 883 O ASN A 60 18.579 -8.489 -6.023 1.00 1.74 O ATOM 884 CB ASN A 60 19.317 -5.940 -6.920 1.00 1.82 C ATOM 885 CG ASN A 60 19.989 -5.069 -7.967 1.00 2.52 C ATOM 886 OD1 ASN A 60 20.853 -5.529 -8.711 1.00 3.09 O ATOM 887 ND2 ASN A 60 19.602 -3.805 -8.030 1.00 3.05 N ATOM 0 H ASN A 60 16.958 -4.948 -6.797 1.00 1.26 H new ATOM 0 HA ASN A 60 18.221 -7.029 -8.423 1.00 1.52 H new ATOM 0 HB2 ASN A 60 19.070 -5.327 -6.053 1.00 1.82 H new ATOM 0 HB3 ASN A 60 20.022 -6.700 -6.583 1.00 1.82 H new ATOM 0 HD21 ASN A 60 20.024 -3.176 -8.713 1.00 3.05 H new ATOM 0 HD22 ASN A 60 18.882 -3.460 -7.395 1.00 3.05 H new ATOM 894 N ASN A 61 16.377 -7.904 -6.200 1.00 1.11 N ATOM 895 CA ASN A 61 15.826 -8.884 -5.244 1.00 1.06 C ATOM 896 C ASN A 61 16.832 -9.284 -4.158 1.00 1.11 C ATOM 897 O ASN A 61 17.304 -10.418 -4.101 1.00 1.55 O ATOM 898 CB ASN A 61 15.228 -10.125 -5.950 1.00 1.29 C ATOM 899 CG ASN A 61 16.222 -10.977 -6.735 1.00 1.85 C ATOM 900 OD1 ASN A 61 17.183 -10.485 -7.318 1.00 2.62 O ATOM 901 ND2 ASN A 61 15.978 -12.277 -6.762 1.00 2.37 N ATOM 0 H ASN A 61 15.659 -7.330 -6.642 1.00 1.11 H new ATOM 0 HA ASN A 61 15.005 -8.375 -4.739 1.00 1.06 H new ATOM 0 HB2 ASN A 61 14.751 -10.754 -5.199 1.00 1.29 H new ATOM 0 HB3 ASN A 61 14.445 -9.792 -6.631 1.00 1.29 H new ATOM 0 HD21 ASN A 61 16.598 -12.902 -7.278 1.00 2.37 H new ATOM 0 HD22 ASN A 61 15.170 -12.655 -6.267 1.00 2.37 H new ATOM 908 N ARG A 62 17.161 -8.325 -3.301 1.00 0.98 N ATOM 909 CA ARG A 62 18.169 -8.529 -2.270 1.00 1.06 C ATOM 910 C ARG A 62 17.599 -8.327 -0.869 1.00 0.90 C ATOM 911 O ARG A 62 17.863 -9.122 0.032 1.00 1.01 O ATOM 912 CB ARG A 62 19.355 -7.583 -2.485 1.00 1.27 C ATOM 913 CG ARG A 62 18.960 -6.138 -2.754 1.00 1.79 C ATOM 914 CD ARG A 62 20.163 -5.214 -2.694 1.00 2.44 C ATOM 915 NE ARG A 62 20.659 -5.049 -1.330 1.00 3.13 N ATOM 916 CZ ARG A 62 21.774 -5.615 -0.867 1.00 3.67 C ATOM 917 NH1 ARG A 62 22.502 -6.404 -1.647 1.00 3.55 N ATOM 918 NH2 ARG A 62 22.159 -5.386 0.376 1.00 4.66 N ATOM 0 H ARG A 62 16.742 -7.395 -3.301 1.00 0.98 H new ATOM 0 HA ARG A 62 18.508 -9.562 -2.351 1.00 1.06 H new ATOM 0 HB2 ARG A 62 19.995 -7.615 -1.603 1.00 1.27 H new ATOM 0 HB3 ARG A 62 19.949 -7.948 -3.323 1.00 1.27 H new ATOM 0 HG2 ARG A 62 18.491 -6.064 -3.735 1.00 1.79 H new ATOM 0 HG3 ARG A 62 18.218 -5.820 -2.022 1.00 1.79 H new ATOM 0 HD2 ARG A 62 20.958 -5.613 -3.323 1.00 2.44 H new ATOM 0 HD3 ARG A 62 19.893 -4.240 -3.102 1.00 2.44 H new ATOM 0 HE ARG A 62 20.119 -4.464 -0.692 1.00 3.13 H new ATOM 0 HH11 ARG A 62 22.210 -6.581 -2.608 1.00 3.55 H new ATOM 0 HH12 ARG A 62 23.354 -6.833 -1.285 1.00 3.55 H new ATOM 0 HH21 ARG A 62 21.604 -4.778 0.978 1.00 4.66 H new ATOM 0 HH22 ARG A 62 23.011 -5.817 0.734 1.00 4.66 H new ATOM 932 N ASP A 63 16.820 -7.270 -0.689 1.00 0.81 N ATOM 933 CA ASP A 63 16.299 -6.923 0.627 1.00 0.75 C ATOM 934 C ASP A 63 14.847 -6.491 0.507 1.00 0.61 C ATOM 935 O ASP A 63 14.478 -5.801 -0.448 1.00 0.69 O ATOM 936 CB ASP A 63 17.146 -5.807 1.252 1.00 0.92 C ATOM 937 CG ASP A 63 16.760 -5.497 2.687 1.00 1.70 C ATOM 938 OD1 ASP A 63 16.545 -6.448 3.466 1.00 2.02 O ATOM 939 OD2 ASP A 63 16.709 -4.304 3.055 1.00 2.51 O ATOM 0 H ASP A 63 16.534 -6.638 -1.437 1.00 0.81 H new ATOM 0 HA ASP A 63 16.351 -7.797 1.276 1.00 0.75 H new ATOM 0 HB2 ASP A 63 18.197 -6.095 1.219 1.00 0.92 H new ATOM 0 HB3 ASP A 63 17.045 -4.903 0.652 1.00 0.92 H new ATOM 944 N LYS A 64 14.025 -6.915 1.458 1.00 0.51 N ATOM 945 CA LYS A 64 12.606 -6.604 1.429 1.00 0.48 C ATOM 946 C LYS A 64 12.157 -6.009 2.760 1.00 0.52 C ATOM 947 O LYS A 64 12.586 -6.446 3.829 1.00 0.86 O ATOM 948 CB LYS A 64 11.791 -7.858 1.067 1.00 0.57 C ATOM 949 CG LYS A 64 12.082 -9.082 1.930 1.00 0.65 C ATOM 950 CD LYS A 64 11.220 -9.115 3.183 1.00 0.84 C ATOM 951 CE LYS A 64 11.568 -10.300 4.072 1.00 1.52 C ATOM 952 NZ LYS A 64 12.925 -10.177 4.673 1.00 2.07 N ATOM 0 H LYS A 64 14.319 -7.475 2.258 1.00 0.51 H new ATOM 0 HA LYS A 64 12.427 -5.855 0.658 1.00 0.48 H new ATOM 0 HB2 LYS A 64 10.730 -7.620 1.145 1.00 0.57 H new ATOM 0 HB3 LYS A 64 11.985 -8.112 0.025 1.00 0.57 H new ATOM 0 HG2 LYS A 64 11.908 -9.986 1.347 1.00 0.65 H new ATOM 0 HG3 LYS A 64 13.134 -9.083 2.214 1.00 0.65 H new ATOM 0 HD2 LYS A 64 11.354 -8.189 3.742 1.00 0.84 H new ATOM 0 HD3 LYS A 64 10.169 -9.168 2.901 1.00 0.84 H new ATOM 0 HE2 LYS A 64 10.827 -10.385 4.867 1.00 1.52 H new ATOM 0 HE3 LYS A 64 11.514 -11.218 3.487 1.00 1.52 H new ATOM 0 HZ1 LYS A 64 13.052 -10.913 5.397 1.00 2.07 H new ATOM 0 HZ2 LYS A 64 13.645 -10.293 3.931 1.00 2.07 H new ATOM 0 HZ3 LYS A 64 13.027 -9.239 5.111 1.00 2.07 H new ATOM 966 N LEU A 65 11.311 -4.991 2.690 1.00 0.34 N ATOM 967 CA LEU A 65 10.836 -4.309 3.888 1.00 0.34 C ATOM 968 C LEU A 65 9.321 -4.208 3.882 1.00 0.38 C ATOM 969 O LEU A 65 8.743 -3.624 2.972 1.00 0.72 O ATOM 970 CB LEU A 65 11.427 -2.897 3.990 1.00 0.52 C ATOM 971 CG LEU A 65 12.940 -2.810 4.215 1.00 1.18 C ATOM 972 CD1 LEU A 65 13.706 -3.030 2.920 1.00 1.98 C ATOM 973 CD2 LEU A 65 13.308 -1.468 4.822 1.00 1.96 C ATOM 0 H LEU A 65 10.939 -4.618 1.817 1.00 0.34 H new ATOM 0 HA LEU A 65 11.160 -4.896 4.747 1.00 0.34 H new ATOM 0 HB2 LEU A 65 11.186 -2.358 3.074 1.00 0.52 H new ATOM 0 HB3 LEU A 65 10.929 -2.376 4.807 1.00 0.52 H new ATOM 0 HG LEU A 65 13.220 -3.602 4.910 1.00 1.18 H new ATOM 0 HD11 LEU A 65 14.776 -2.962 3.114 1.00 1.98 H new ATOM 0 HD12 LEU A 65 13.472 -4.017 2.522 1.00 1.98 H new ATOM 0 HD13 LEU A 65 13.420 -2.269 2.194 1.00 1.98 H new ATOM 0 HD21 LEU A 65 14.386 -1.422 4.976 1.00 1.96 H new ATOM 0 HD22 LEU A 65 13.003 -0.668 4.148 1.00 1.96 H new ATOM 0 HD23 LEU A 65 12.800 -1.350 5.779 1.00 1.96 H new ATOM 985 N TYR A 66 8.682 -4.776 4.891 1.00 0.32 N ATOM 986 CA TYR A 66 7.234 -4.694 5.009 1.00 0.34 C ATOM 987 C TYR A 66 6.820 -3.272 5.371 1.00 0.36 C ATOM 988 O TYR A 66 7.396 -2.660 6.273 1.00 0.44 O ATOM 989 CB TYR A 66 6.719 -5.679 6.065 1.00 0.39 C ATOM 990 CG TYR A 66 7.108 -7.118 5.798 1.00 0.41 C ATOM 991 CD1 TYR A 66 8.340 -7.604 6.210 1.00 0.55 C ATOM 992 CD2 TYR A 66 6.247 -7.990 5.135 1.00 0.50 C ATOM 993 CE1 TYR A 66 8.708 -8.910 5.970 1.00 0.64 C ATOM 994 CE2 TYR A 66 6.611 -9.301 4.892 1.00 0.59 C ATOM 995 CZ TYR A 66 7.843 -9.754 5.312 1.00 0.62 C ATOM 996 OH TYR A 66 8.214 -11.055 5.078 1.00 0.75 O ATOM 0 H TYR A 66 9.140 -5.297 5.638 1.00 0.32 H new ATOM 0 HA TYR A 66 6.793 -4.960 4.048 1.00 0.34 H new ATOM 0 HB2 TYR A 66 7.102 -5.384 7.042 1.00 0.39 H new ATOM 0 HB3 TYR A 66 5.632 -5.609 6.115 1.00 0.39 H new ATOM 0 HD1 TYR A 66 9.023 -6.947 6.728 1.00 0.55 H new ATOM 0 HD2 TYR A 66 5.281 -7.636 4.806 1.00 0.50 H new ATOM 0 HE1 TYR A 66 9.672 -9.270 6.297 1.00 0.64 H new ATOM 0 HE2 TYR A 66 5.934 -9.966 4.376 1.00 0.59 H new ATOM 0 HH TYR A 66 7.493 -11.521 4.605 1.00 0.75 H new ATOM 1006 N VAL A 67 5.844 -2.746 4.651 1.00 0.35 N ATOM 1007 CA VAL A 67 5.354 -1.397 4.894 1.00 0.38 C ATOM 1008 C VAL A 67 3.844 -1.392 5.043 1.00 0.40 C ATOM 1009 O VAL A 67 3.123 -1.868 4.170 1.00 0.73 O ATOM 1010 CB VAL A 67 5.767 -0.418 3.775 1.00 0.49 C ATOM 1011 CG1 VAL A 67 7.262 -0.154 3.826 1.00 0.67 C ATOM 1012 CG2 VAL A 67 5.371 -0.955 2.406 1.00 0.60 C ATOM 0 H VAL A 67 5.372 -3.234 3.890 1.00 0.35 H new ATOM 0 HA VAL A 67 5.812 -1.059 5.824 1.00 0.38 H new ATOM 0 HB VAL A 67 5.239 0.522 3.937 1.00 0.49 H new ATOM 0 HG11 VAL A 67 7.537 0.538 3.030 1.00 0.67 H new ATOM 0 HG12 VAL A 67 7.522 0.281 4.791 1.00 0.67 H new ATOM 0 HG13 VAL A 67 7.802 -1.092 3.693 1.00 0.67 H new ATOM 0 HG21 VAL A 67 5.674 -0.246 1.636 1.00 0.60 H new ATOM 0 HG22 VAL A 67 5.865 -1.911 2.233 1.00 0.60 H new ATOM 0 HG23 VAL A 67 4.290 -1.093 2.368 1.00 0.60 H new ATOM 1022 N ASN A 68 3.367 -0.867 6.154 1.00 0.42 N ATOM 1023 CA ASN A 68 1.936 -0.784 6.388 1.00 0.49 C ATOM 1024 C ASN A 68 1.404 0.557 5.910 1.00 0.43 C ATOM 1025 O ASN A 68 1.844 1.616 6.359 1.00 0.50 O ATOM 1026 CB ASN A 68 1.580 -1.044 7.867 1.00 0.74 C ATOM 1027 CG ASN A 68 2.523 -0.395 8.878 1.00 0.99 C ATOM 1028 OD1 ASN A 68 2.784 -0.966 9.937 1.00 1.81 O ATOM 1029 ND2 ASN A 68 3.016 0.800 8.590 1.00 1.60 N ATOM 0 H ASN A 68 3.945 -0.493 6.907 1.00 0.42 H new ATOM 0 HA ASN A 68 1.451 -1.571 5.810 1.00 0.49 H new ATOM 0 HB2 ASN A 68 0.568 -0.682 8.051 1.00 0.74 H new ATOM 0 HB3 ASN A 68 1.570 -2.120 8.040 1.00 0.74 H new ATOM 0 HD21 ASN A 68 3.630 1.272 9.254 1.00 1.60 H new ATOM 0 HD22 ASN A 68 2.782 1.248 7.704 1.00 1.60 H new ATOM 1036 N ILE A 69 0.476 0.503 4.968 1.00 0.42 N ATOM 1037 CA ILE A 69 -0.069 1.708 4.371 1.00 0.41 C ATOM 1038 C ILE A 69 -1.166 2.282 5.253 1.00 0.41 C ATOM 1039 O ILE A 69 -2.345 2.006 5.049 1.00 0.50 O ATOM 1040 CB ILE A 69 -0.655 1.433 2.971 1.00 0.50 C ATOM 1041 CG1 ILE A 69 0.156 0.348 2.255 1.00 0.48 C ATOM 1042 CG2 ILE A 69 -0.673 2.717 2.149 1.00 0.81 C ATOM 1043 CD1 ILE A 69 -0.399 -0.037 0.902 1.00 0.74 C ATOM 0 H ILE A 69 0.085 -0.365 4.601 1.00 0.42 H new ATOM 0 HA ILE A 69 0.750 2.420 4.276 1.00 0.41 H new ATOM 0 HB ILE A 69 -1.679 1.077 3.084 1.00 0.50 H new ATOM 0 HG12 ILE A 69 1.181 0.697 2.131 1.00 0.48 H new ATOM 0 HG13 ILE A 69 0.195 -0.539 2.887 1.00 0.48 H new ATOM 0 HG21 ILE A 69 -1.089 2.512 1.162 1.00 0.81 H new ATOM 0 HG22 ILE A 69 -1.287 3.463 2.653 1.00 0.81 H new ATOM 0 HG23 ILE A 69 0.344 3.095 2.043 1.00 0.81 H new ATOM 0 HD11 ILE A 69 0.229 -0.809 0.458 1.00 0.74 H new ATOM 0 HD12 ILE A 69 -1.414 -0.417 1.020 1.00 0.74 H new ATOM 0 HD13 ILE A 69 -0.413 0.838 0.252 1.00 0.74 H new ATOM 1055 N ARG A 70 -0.776 3.077 6.230 1.00 0.43 N ATOM 1056 CA ARG A 70 -1.734 3.665 7.145 1.00 0.45 C ATOM 1057 C ARG A 70 -2.189 5.000 6.592 1.00 0.39 C ATOM 1058 O ARG A 70 -1.370 5.798 6.134 1.00 0.41 O ATOM 1059 CB ARG A 70 -1.130 3.849 8.542 1.00 0.55 C ATOM 1060 CG ARG A 70 -0.763 2.548 9.238 1.00 1.33 C ATOM 1061 CD ARG A 70 -0.080 2.809 10.572 1.00 1.39 C ATOM 1062 NE ARG A 70 -0.904 3.628 11.460 1.00 2.23 N ATOM 1063 CZ ARG A 70 -0.417 4.526 12.320 1.00 2.69 C ATOM 1064 NH1 ARG A 70 0.895 4.680 12.458 1.00 2.42 N ATOM 1065 NH2 ARG A 70 -1.245 5.258 13.052 1.00 3.79 N ATOM 0 H ARG A 70 0.195 3.330 6.410 1.00 0.43 H new ATOM 0 HA ARG A 70 -2.586 2.992 7.241 1.00 0.45 H new ATOM 0 HB2 ARG A 70 -0.237 4.469 8.461 1.00 0.55 H new ATOM 0 HB3 ARG A 70 -1.841 4.393 9.164 1.00 0.55 H new ATOM 0 HG2 ARG A 70 -1.662 1.952 9.397 1.00 1.33 H new ATOM 0 HG3 ARG A 70 -0.103 1.964 8.597 1.00 1.33 H new ATOM 0 HD2 ARG A 70 0.142 1.859 11.058 1.00 1.39 H new ATOM 0 HD3 ARG A 70 0.873 3.309 10.399 1.00 1.39 H new ATOM 0 HE ARG A 70 -1.916 3.505 11.420 1.00 2.23 H new ATOM 0 HH11 ARG A 70 1.536 4.111 11.906 1.00 2.42 H new ATOM 0 HH12 ARG A 70 1.261 5.368 13.116 1.00 2.42 H new ATOM 0 HH21 ARG A 70 -2.253 5.135 12.958 1.00 3.79 H new ATOM 0 HH22 ARG A 70 -0.874 5.944 13.709 1.00 3.79 H new ATOM 1079 N PRO A 71 -3.495 5.258 6.595 1.00 0.40 N ATOM 1080 CA PRO A 71 -4.022 6.517 6.101 1.00 0.44 C ATOM 1081 C PRO A 71 -3.601 7.673 6.989 1.00 0.47 C ATOM 1082 O PRO A 71 -3.652 7.586 8.218 1.00 0.55 O ATOM 1083 CB PRO A 71 -5.532 6.312 6.111 1.00 0.59 C ATOM 1084 CG PRO A 71 -5.769 5.245 7.119 1.00 0.54 C ATOM 1085 CD PRO A 71 -4.556 4.356 7.077 1.00 0.50 C ATOM 0 HA PRO A 71 -3.649 6.772 5.109 1.00 0.44 H new ATOM 0 HB2 PRO A 71 -6.053 7.231 6.379 1.00 0.59 H new ATOM 0 HB3 PRO A 71 -5.896 6.014 5.128 1.00 0.59 H new ATOM 0 HG2 PRO A 71 -5.906 5.671 8.113 1.00 0.54 H new ATOM 0 HG3 PRO A 71 -6.673 4.682 6.886 1.00 0.54 H new ATOM 0 HD2 PRO A 71 -4.322 3.948 8.060 1.00 0.50 H new ATOM 0 HD3 PRO A 71 -4.700 3.509 6.406 1.00 0.50 H new ATOM 1093 N MET A 72 -3.168 8.750 6.364 1.00 0.52 N ATOM 1094 CA MET A 72 -2.605 9.863 7.091 1.00 0.65 C ATOM 1095 C MET A 72 -3.709 10.724 7.697 1.00 0.81 C ATOM 1096 O MET A 72 -4.249 11.611 7.036 1.00 1.66 O ATOM 1097 CB MET A 72 -1.707 10.697 6.173 1.00 0.75 C ATOM 1098 CG MET A 72 -0.787 11.639 6.934 1.00 0.89 C ATOM 1099 SD MET A 72 0.414 12.467 5.875 1.00 1.54 S ATOM 1100 CE MET A 72 1.306 13.422 7.102 1.00 1.71 C ATOM 0 H MET A 72 -3.197 8.875 5.352 1.00 0.52 H new ATOM 0 HA MET A 72 -1.996 9.472 7.906 1.00 0.65 H new ATOM 0 HB2 MET A 72 -1.105 10.028 5.558 1.00 0.75 H new ATOM 0 HB3 MET A 72 -2.331 11.278 5.494 1.00 0.75 H new ATOM 0 HG2 MET A 72 -1.389 12.390 7.446 1.00 0.89 H new ATOM 0 HG3 MET A 72 -0.257 11.077 7.703 1.00 0.89 H new ATOM 0 HE1 MET A 72 2.092 13.998 6.614 1.00 1.71 H new ATOM 0 HE2 MET A 72 0.618 14.101 7.606 1.00 1.71 H new ATOM 0 HE3 MET A 72 1.752 12.748 7.834 1.00 1.71 H new ATOM 1110 N ASP A 73 -4.066 10.406 8.945 1.00 0.85 N ATOM 1111 CA ASP A 73 -5.044 11.179 9.722 1.00 0.91 C ATOM 1112 C ASP A 73 -6.456 11.056 9.152 1.00 0.97 C ATOM 1113 O ASP A 73 -7.233 12.011 9.204 1.00 1.54 O ATOM 1114 CB ASP A 73 -4.646 12.662 9.781 1.00 1.06 C ATOM 1115 CG ASP A 73 -3.299 12.886 10.434 1.00 1.38 C ATOM 1116 OD1 ASP A 73 -3.087 12.389 11.563 1.00 1.74 O ATOM 1117 OD2 ASP A 73 -2.440 13.550 9.816 1.00 1.92 O ATOM 0 H ASP A 73 -3.685 9.604 9.447 1.00 0.85 H new ATOM 0 HA ASP A 73 -5.045 10.761 10.729 1.00 0.91 H new ATOM 0 HB2 ASP A 73 -4.625 13.068 8.770 1.00 1.06 H new ATOM 0 HB3 ASP A 73 -5.407 13.215 10.331 1.00 1.06 H new ATOM 1122 N ASN A 74 -6.810 9.882 8.639 1.00 0.80 N ATOM 1123 CA ASN A 74 -8.124 9.705 8.023 1.00 0.90 C ATOM 1124 C ASN A 74 -8.773 8.369 8.373 1.00 1.03 C ATOM 1125 O ASN A 74 -8.272 7.306 8.002 1.00 1.89 O ATOM 1126 CB ASN A 74 -8.038 9.849 6.502 1.00 0.90 C ATOM 1127 CG ASN A 74 -7.936 11.291 6.040 1.00 1.11 C ATOM 1128 OD1 ASN A 74 -8.944 11.986 5.919 1.00 1.73 O ATOM 1129 ND2 ASN A 74 -6.725 11.743 5.751 1.00 1.21 N ATOM 0 H ASN A 74 -6.218 9.051 8.636 1.00 0.80 H new ATOM 0 HA ASN A 74 -8.756 10.493 8.433 1.00 0.90 H new ATOM 0 HB2 ASN A 74 -7.171 9.297 6.140 1.00 0.90 H new ATOM 0 HB3 ASN A 74 -8.918 9.392 6.050 1.00 0.90 H new ATOM 0 HD21 ASN A 74 -6.604 12.698 5.415 1.00 1.21 H new ATOM 0 HD22 ASN A 74 -5.913 11.136 5.865 1.00 1.21 H new ATOM 1136 N SER A 75 -9.896 8.456 9.091 1.00 0.90 N ATOM 1137 CA SER A 75 -10.778 7.314 9.358 1.00 0.90 C ATOM 1138 C SER A 75 -10.101 6.215 10.180 1.00 0.84 C ATOM 1139 O SER A 75 -9.047 6.426 10.788 1.00 0.93 O ATOM 1140 CB SER A 75 -11.288 6.739 8.037 1.00 0.93 C ATOM 1141 OG SER A 75 -11.833 7.761 7.219 1.00 1.70 O ATOM 0 H SER A 75 -10.222 9.328 9.507 1.00 0.90 H new ATOM 0 HA SER A 75 -11.611 7.685 9.955 1.00 0.90 H new ATOM 0 HB2 SER A 75 -10.471 6.243 7.512 1.00 0.93 H new ATOM 0 HB3 SER A 75 -12.047 5.981 8.234 1.00 0.93 H new ATOM 0 HG SER A 75 -11.833 7.467 6.284 1.00 1.70 H new ATOM 1147 N ALA A 76 -10.745 5.054 10.229 1.00 0.82 N ATOM 1148 CA ALA A 76 -10.190 3.890 10.898 1.00 0.78 C ATOM 1149 C ALA A 76 -10.104 2.723 9.931 1.00 0.63 C ATOM 1150 O ALA A 76 -11.122 2.214 9.459 1.00 0.77 O ATOM 1151 CB ALA A 76 -11.026 3.509 12.108 1.00 0.94 C ATOM 0 H ALA A 76 -11.661 4.897 9.808 1.00 0.82 H new ATOM 0 HA ALA A 76 -9.187 4.140 11.243 1.00 0.78 H new ATOM 0 HB1 ALA A 76 -10.590 2.635 12.591 1.00 0.94 H new ATOM 0 HB2 ALA A 76 -11.047 4.341 12.812 1.00 0.94 H new ATOM 0 HB3 ALA A 76 -12.043 3.278 11.790 1.00 0.94 H new ATOM 1157 N TRP A 77 -8.888 2.313 9.633 1.00 0.47 N ATOM 1158 CA TRP A 77 -8.657 1.242 8.681 1.00 0.38 C ATOM 1159 C TRP A 77 -8.162 -0.009 9.389 1.00 0.40 C ATOM 1160 O TRP A 77 -7.381 0.078 10.336 1.00 0.50 O ATOM 1161 CB TRP A 77 -7.631 1.679 7.634 1.00 0.35 C ATOM 1162 CG TRP A 77 -8.130 2.725 6.680 1.00 0.31 C ATOM 1163 CD1 TRP A 77 -8.797 3.879 6.984 1.00 0.30 C ATOM 1164 CD2 TRP A 77 -7.979 2.714 5.257 1.00 0.32 C ATOM 1165 NE1 TRP A 77 -9.078 4.578 5.835 1.00 0.31 N ATOM 1166 CE2 TRP A 77 -8.583 3.882 4.761 1.00 0.32 C ATOM 1167 CE3 TRP A 77 -7.393 1.825 4.354 1.00 0.37 C ATOM 1168 CZ2 TRP A 77 -8.618 4.181 3.404 1.00 0.37 C ATOM 1169 CZ3 TRP A 77 -7.426 2.123 3.009 1.00 0.42 C ATOM 1170 CH2 TRP A 77 -8.036 3.293 2.544 1.00 0.42 C ATOM 0 H TRP A 77 -8.039 2.707 10.038 1.00 0.47 H new ATOM 0 HA TRP A 77 -9.602 1.015 8.188 1.00 0.38 H new ATOM 0 HB2 TRP A 77 -6.748 2.062 8.145 1.00 0.35 H new ATOM 0 HB3 TRP A 77 -7.316 0.805 7.064 1.00 0.35 H new ATOM 0 HD1 TRP A 77 -9.064 4.195 7.982 1.00 0.30 H new ATOM 0 HE1 TRP A 77 -9.573 5.468 5.788 1.00 0.31 H new ATOM 0 HE3 TRP A 77 -6.922 0.919 4.704 1.00 0.37 H new ATOM 0 HZ2 TRP A 77 -9.089 5.083 3.042 1.00 0.37 H new ATOM 0 HZ3 TRP A 77 -6.974 1.443 2.303 1.00 0.42 H new ATOM 0 HH2 TRP A 77 -8.047 3.498 1.484 1.00 0.42 H new ATOM 1181 N THR A 78 -8.624 -1.162 8.937 1.00 0.38 N ATOM 1182 CA THR A 78 -8.155 -2.431 9.462 1.00 0.40 C ATOM 1183 C THR A 78 -6.819 -2.788 8.816 1.00 0.36 C ATOM 1184 O THR A 78 -6.747 -3.061 7.614 1.00 0.37 O ATOM 1185 CB THR A 78 -9.184 -3.551 9.209 1.00 0.45 C ATOM 1186 OG1 THR A 78 -10.470 -3.138 9.695 1.00 0.51 O ATOM 1187 CG2 THR A 78 -8.770 -4.844 9.901 1.00 0.49 C ATOM 0 H THR A 78 -9.328 -1.244 8.203 1.00 0.38 H new ATOM 0 HA THR A 78 -8.024 -2.334 10.540 1.00 0.40 H new ATOM 0 HB THR A 78 -9.232 -3.737 8.136 1.00 0.45 H new ATOM 0 HG1 THR A 78 -11.125 -3.849 9.533 1.00 0.51 H new ATOM 0 HG21 THR A 78 -9.514 -5.616 9.705 1.00 0.49 H new ATOM 0 HG22 THR A 78 -7.802 -5.168 9.518 1.00 0.49 H new ATOM 0 HG23 THR A 78 -8.697 -4.675 10.975 1.00 0.49 H new ATOM 1195 N THR A 79 -5.764 -2.756 9.614 1.00 0.41 N ATOM 1196 CA THR A 79 -4.417 -2.934 9.103 1.00 0.40 C ATOM 1197 C THR A 79 -4.029 -4.406 9.010 1.00 0.38 C ATOM 1198 O THR A 79 -3.911 -5.112 10.015 1.00 0.50 O ATOM 1199 CB THR A 79 -3.386 -2.159 9.960 1.00 0.51 C ATOM 1200 OG1 THR A 79 -2.048 -2.432 9.518 1.00 0.53 O ATOM 1201 CG2 THR A 79 -3.513 -2.504 11.436 1.00 0.59 C ATOM 0 H THR A 79 -5.816 -2.608 10.622 1.00 0.41 H new ATOM 0 HA THR A 79 -4.408 -2.525 8.093 1.00 0.40 H new ATOM 0 HB THR A 79 -3.598 -1.097 9.834 1.00 0.51 H new ATOM 0 HG1 THR A 79 -1.884 -1.973 8.668 1.00 0.53 H new ATOM 0 HG21 THR A 79 -2.774 -1.941 12.006 1.00 0.59 H new ATOM 0 HG22 THR A 79 -4.513 -2.247 11.785 1.00 0.59 H new ATOM 0 HG23 THR A 79 -3.343 -3.572 11.576 1.00 0.59 H new ATOM 1209 N ASP A 80 -3.852 -4.863 7.785 1.00 0.33 N ATOM 1210 CA ASP A 80 -3.329 -6.193 7.524 1.00 0.32 C ATOM 1211 C ASP A 80 -2.177 -6.074 6.535 1.00 0.36 C ATOM 1212 O ASP A 80 -2.101 -5.095 5.796 1.00 0.40 O ATOM 1213 CB ASP A 80 -4.431 -7.108 6.974 1.00 0.34 C ATOM 1214 CG ASP A 80 -3.976 -8.543 6.835 1.00 1.08 C ATOM 1215 OD1 ASP A 80 -3.957 -9.262 7.851 1.00 1.65 O ATOM 1216 OD2 ASP A 80 -3.647 -8.964 5.704 1.00 1.70 O ATOM 0 H ASP A 80 -4.065 -4.326 6.945 1.00 0.33 H new ATOM 0 HA ASP A 80 -2.969 -6.638 8.452 1.00 0.32 H new ATOM 0 HB2 ASP A 80 -5.296 -7.067 7.635 1.00 0.34 H new ATOM 0 HB3 ASP A 80 -4.755 -6.737 6.002 1.00 0.34 H new ATOM 1221 N ASN A 81 -1.270 -7.038 6.525 1.00 0.44 N ATOM 1222 CA ASN A 81 -0.125 -6.975 5.622 1.00 0.57 C ATOM 1223 C ASN A 81 -0.479 -7.479 4.234 1.00 0.59 C ATOM 1224 O ASN A 81 0.366 -7.504 3.350 1.00 0.72 O ATOM 1225 CB ASN A 81 1.068 -7.760 6.166 1.00 0.68 C ATOM 1226 CG ASN A 81 1.827 -7.001 7.234 1.00 0.81 C ATOM 1227 OD1 ASN A 81 1.541 -7.127 8.423 1.00 1.39 O ATOM 1228 ND2 ASN A 81 2.802 -6.207 6.813 1.00 0.80 N ATOM 0 H ASN A 81 -1.300 -7.864 7.122 1.00 0.44 H new ATOM 0 HA ASN A 81 0.155 -5.924 5.550 1.00 0.57 H new ATOM 0 HB2 ASN A 81 0.718 -8.707 6.578 1.00 0.68 H new ATOM 0 HB3 ASN A 81 1.745 -8.000 5.346 1.00 0.68 H new ATOM 0 HD21 ASN A 81 3.349 -5.670 7.486 1.00 0.80 H new ATOM 0 HD22 ASN A 81 3.005 -6.133 5.816 1.00 0.80 H new ATOM 1235 N GLY A 82 -1.718 -7.896 4.051 1.00 0.55 N ATOM 1236 CA GLY A 82 -2.168 -8.298 2.742 1.00 0.65 C ATOM 1237 C GLY A 82 -3.170 -7.320 2.165 1.00 0.48 C ATOM 1238 O GLY A 82 -3.214 -7.098 0.953 1.00 0.57 O ATOM 0 H GLY A 82 -2.421 -7.963 4.787 1.00 0.55 H new ATOM 0 HA2 GLY A 82 -1.312 -8.378 2.072 1.00 0.65 H new ATOM 0 HA3 GLY A 82 -2.620 -9.288 2.802 1.00 0.65 H new ATOM 1242 N VAL A 83 -3.986 -6.740 3.033 1.00 0.40 N ATOM 1243 CA VAL A 83 -5.013 -5.807 2.611 1.00 0.44 C ATOM 1244 C VAL A 83 -5.072 -4.640 3.581 1.00 0.36 C ATOM 1245 O VAL A 83 -4.704 -4.783 4.745 1.00 0.38 O ATOM 1246 CB VAL A 83 -6.405 -6.477 2.549 1.00 0.67 C ATOM 1247 CG1 VAL A 83 -6.355 -7.753 1.720 1.00 1.16 C ATOM 1248 CG2 VAL A 83 -6.937 -6.777 3.945 1.00 0.67 C ATOM 0 H VAL A 83 -3.954 -6.902 4.039 1.00 0.40 H new ATOM 0 HA VAL A 83 -4.753 -5.460 1.611 1.00 0.44 H new ATOM 0 HB VAL A 83 -7.086 -5.775 2.069 1.00 0.67 H new ATOM 0 HG11 VAL A 83 -7.346 -8.207 1.691 1.00 1.16 H new ATOM 0 HG12 VAL A 83 -6.034 -7.516 0.706 1.00 1.16 H new ATOM 0 HG13 VAL A 83 -5.649 -8.451 2.169 1.00 1.16 H new ATOM 0 HG21 VAL A 83 -7.917 -7.248 3.867 1.00 0.67 H new ATOM 0 HG22 VAL A 83 -6.251 -7.450 4.459 1.00 0.67 H new ATOM 0 HG23 VAL A 83 -7.024 -5.848 4.509 1.00 0.67 H new ATOM 1258 N PHE A 84 -5.539 -3.491 3.126 1.00 0.32 N ATOM 1259 CA PHE A 84 -5.647 -2.351 4.010 1.00 0.29 C ATOM 1260 C PHE A 84 -6.932 -1.630 3.690 1.00 0.29 C ATOM 1261 O PHE A 84 -7.043 -1.006 2.639 1.00 0.30 O ATOM 1262 CB PHE A 84 -4.437 -1.425 3.853 1.00 0.33 C ATOM 1263 CG PHE A 84 -3.952 -0.861 5.155 1.00 0.30 C ATOM 1264 CD1 PHE A 84 -4.744 -0.002 5.899 1.00 0.32 C ATOM 1265 CD2 PHE A 84 -2.700 -1.199 5.639 1.00 0.33 C ATOM 1266 CE1 PHE A 84 -4.295 0.511 7.100 1.00 0.36 C ATOM 1267 CE2 PHE A 84 -2.245 -0.688 6.837 1.00 0.35 C ATOM 1268 CZ PHE A 84 -3.043 0.168 7.570 1.00 0.36 C ATOM 0 H PHE A 84 -5.844 -3.326 2.167 1.00 0.32 H new ATOM 0 HA PHE A 84 -5.661 -2.682 5.049 1.00 0.29 H new ATOM 0 HB2 PHE A 84 -3.625 -1.976 3.378 1.00 0.33 H new ATOM 0 HB3 PHE A 84 -4.699 -0.605 3.185 1.00 0.33 H new ATOM 0 HD1 PHE A 84 -5.724 0.270 5.536 1.00 0.32 H new ATOM 0 HD2 PHE A 84 -2.072 -1.871 5.072 1.00 0.33 H new ATOM 0 HE1 PHE A 84 -4.922 1.180 7.671 1.00 0.36 H new ATOM 0 HE2 PHE A 84 -1.265 -0.957 7.202 1.00 0.35 H new ATOM 0 HZ PHE A 84 -2.689 0.568 8.508 1.00 0.36 H new ATOM 1278 N TYR A 85 -7.920 -1.749 4.559 1.00 0.32 N ATOM 1279 CA TYR A 85 -9.242 -1.264 4.217 1.00 0.34 C ATOM 1280 C TYR A 85 -9.931 -0.570 5.371 1.00 0.34 C ATOM 1281 O TYR A 85 -9.807 -0.963 6.530 1.00 0.35 O ATOM 1282 CB TYR A 85 -10.115 -2.391 3.654 1.00 0.38 C ATOM 1283 CG TYR A 85 -10.465 -3.510 4.612 1.00 0.40 C ATOM 1284 CD1 TYR A 85 -9.461 -4.281 5.181 1.00 0.42 C ATOM 1285 CD2 TYR A 85 -11.781 -3.769 4.982 1.00 0.45 C ATOM 1286 CE1 TYR A 85 -9.756 -5.280 6.083 1.00 0.48 C ATOM 1287 CE2 TYR A 85 -12.081 -4.767 5.893 1.00 0.51 C ATOM 1288 CZ TYR A 85 -11.150 -5.609 6.299 1.00 0.53 C ATOM 1289 OH TYR A 85 -11.350 -6.505 7.353 1.00 0.59 O ATOM 0 H TYR A 85 -7.835 -2.167 5.485 1.00 0.32 H new ATOM 0 HA TYR A 85 -9.103 -0.512 3.440 1.00 0.34 H new ATOM 0 HB2 TYR A 85 -11.043 -1.954 3.285 1.00 0.38 H new ATOM 0 HB3 TYR A 85 -9.603 -2.824 2.795 1.00 0.38 H new ATOM 0 HD1 TYR A 85 -8.432 -4.095 4.912 1.00 0.42 H new ATOM 0 HD2 TYR A 85 -12.580 -3.183 4.552 1.00 0.45 H new ATOM 0 HE1 TYR A 85 -8.972 -5.801 6.612 1.00 0.48 H new ATOM 0 HE2 TYR A 85 -13.087 -4.857 6.275 1.00 0.51 H new ATOM 0 HH TYR A 85 -12.308 -6.687 7.450 1.00 0.59 H new ATOM 1299 N LYS A 86 -10.641 0.486 5.016 1.00 0.36 N ATOM 1300 CA LYS A 86 -11.397 1.290 5.961 1.00 0.37 C ATOM 1301 C LYS A 86 -12.612 0.528 6.479 1.00 0.39 C ATOM 1302 O LYS A 86 -13.397 -0.014 5.700 1.00 0.42 O ATOM 1303 CB LYS A 86 -11.823 2.606 5.287 1.00 0.42 C ATOM 1304 CG LYS A 86 -12.528 2.418 3.947 1.00 0.57 C ATOM 1305 CD LYS A 86 -12.728 3.733 3.198 1.00 0.87 C ATOM 1306 CE LYS A 86 -14.043 4.415 3.554 1.00 0.61 C ATOM 1307 NZ LYS A 86 -14.019 5.039 4.904 1.00 1.39 N ATOM 0 H LYS A 86 -10.710 0.814 4.052 1.00 0.36 H new ATOM 0 HA LYS A 86 -10.763 1.517 6.818 1.00 0.37 H new ATOM 0 HB2 LYS A 86 -12.485 3.150 5.961 1.00 0.42 H new ATOM 0 HB3 LYS A 86 -10.940 3.228 5.137 1.00 0.42 H new ATOM 0 HG2 LYS A 86 -11.946 1.736 3.327 1.00 0.57 H new ATOM 0 HG3 LYS A 86 -13.497 1.948 4.114 1.00 0.57 H new ATOM 0 HD2 LYS A 86 -11.901 4.406 3.425 1.00 0.87 H new ATOM 0 HD3 LYS A 86 -12.700 3.544 2.125 1.00 0.87 H new ATOM 0 HE2 LYS A 86 -14.265 5.179 2.809 1.00 0.61 H new ATOM 0 HE3 LYS A 86 -14.850 3.684 3.510 1.00 0.61 H new ATOM 0 HZ1 LYS A 86 -14.747 5.780 4.957 1.00 1.39 H new ATOM 0 HZ2 LYS A 86 -14.209 4.314 5.625 1.00 1.39 H new ATOM 0 HZ3 LYS A 86 -13.084 5.460 5.075 1.00 1.39 H new ATOM 1321 N ASN A 87 -12.744 0.475 7.800 1.00 0.45 N ATOM 1322 CA ASN A 87 -13.895 -0.161 8.436 1.00 0.51 C ATOM 1323 C ASN A 87 -15.155 0.634 8.128 1.00 0.55 C ATOM 1324 O ASN A 87 -16.239 0.074 7.950 1.00 0.83 O ATOM 1325 CB ASN A 87 -13.671 -0.258 9.952 1.00 0.61 C ATOM 1326 CG ASN A 87 -14.964 -0.253 10.752 1.00 1.35 C ATOM 1327 OD1 ASN A 87 -15.432 0.801 11.188 1.00 2.00 O ATOM 1328 ND2 ASN A 87 -15.558 -1.418 10.951 1.00 2.12 N ATOM 0 H ASN A 87 -12.066 0.866 8.454 1.00 0.45 H new ATOM 0 HA ASN A 87 -14.014 -1.170 8.042 1.00 0.51 H new ATOM 0 HB2 ASN A 87 -13.119 -1.171 10.173 1.00 0.61 H new ATOM 0 HB3 ASN A 87 -13.049 0.577 10.275 1.00 0.61 H new ATOM 0 HD21 ASN A 87 -16.430 -1.462 11.479 1.00 2.12 H new ATOM 0 HD22 ASN A 87 -15.144 -2.272 10.577 1.00 2.12 H new ATOM 1335 N ASP A 88 -14.995 1.945 8.059 1.00 0.51 N ATOM 1336 CA ASP A 88 -16.079 2.835 7.683 1.00 0.54 C ATOM 1337 C ASP A 88 -16.428 2.626 6.219 1.00 0.46 C ATOM 1338 O ASP A 88 -15.562 2.704 5.354 1.00 0.53 O ATOM 1339 CB ASP A 88 -15.699 4.308 7.921 1.00 0.62 C ATOM 1340 CG ASP A 88 -14.222 4.510 8.208 1.00 1.32 C ATOM 1341 OD1 ASP A 88 -13.398 4.238 7.314 1.00 2.10 O ATOM 1342 OD2 ASP A 88 -13.882 4.948 9.328 1.00 1.62 O ATOM 0 H ASP A 88 -14.115 2.420 8.261 1.00 0.51 H new ATOM 0 HA ASP A 88 -16.943 2.602 8.305 1.00 0.54 H new ATOM 0 HB2 ASP A 88 -15.975 4.893 7.044 1.00 0.62 H new ATOM 0 HB3 ASP A 88 -16.281 4.695 8.758 1.00 0.62 H new ATOM 1347 N VAL A 89 -17.690 2.356 5.940 1.00 0.54 N ATOM 1348 CA VAL A 89 -18.124 2.144 4.570 1.00 0.51 C ATOM 1349 C VAL A 89 -18.600 3.448 3.941 1.00 0.51 C ATOM 1350 O VAL A 89 -19.544 4.080 4.420 1.00 0.77 O ATOM 1351 CB VAL A 89 -19.233 1.072 4.466 1.00 0.61 C ATOM 1352 CG1 VAL A 89 -18.673 -0.305 4.781 1.00 1.05 C ATOM 1353 CG2 VAL A 89 -20.400 1.388 5.391 1.00 0.93 C ATOM 0 H VAL A 89 -18.429 2.278 6.639 1.00 0.54 H new ATOM 0 HA VAL A 89 -17.257 1.778 4.020 1.00 0.51 H new ATOM 0 HB VAL A 89 -19.604 1.078 3.441 1.00 0.61 H new ATOM 0 HG11 VAL A 89 -19.467 -1.047 4.703 1.00 1.05 H new ATOM 0 HG12 VAL A 89 -17.880 -0.546 4.073 1.00 1.05 H new ATOM 0 HG13 VAL A 89 -18.269 -0.311 5.793 1.00 1.05 H new ATOM 0 HG21 VAL A 89 -21.162 0.615 5.293 1.00 0.93 H new ATOM 0 HG22 VAL A 89 -20.048 1.422 6.422 1.00 0.93 H new ATOM 0 HG23 VAL A 89 -20.827 2.354 5.121 1.00 0.93 H new ATOM 1363 N GLY A 90 -17.924 3.864 2.882 1.00 0.46 N ATOM 1364 CA GLY A 90 -18.321 5.066 2.188 1.00 0.46 C ATOM 1365 C GLY A 90 -17.205 5.643 1.358 1.00 0.39 C ATOM 1366 O GLY A 90 -16.179 4.995 1.154 1.00 0.43 O ATOM 0 H GLY A 90 -17.109 3.390 2.492 1.00 0.46 H new ATOM 0 HA2 GLY A 90 -19.173 4.847 1.545 1.00 0.46 H new ATOM 0 HA3 GLY A 90 -18.652 5.809 2.914 1.00 0.46 H new ATOM 1370 N SER A 91 -17.411 6.855 0.871 1.00 0.44 N ATOM 1371 CA SER A 91 -16.391 7.558 0.127 1.00 0.50 C ATOM 1372 C SER A 91 -15.276 7.967 1.075 1.00 0.48 C ATOM 1373 O SER A 91 -15.509 8.160 2.271 1.00 0.77 O ATOM 1374 CB SER A 91 -17.006 8.775 -0.562 1.00 0.69 C ATOM 1375 OG SER A 91 -17.822 9.502 0.342 1.00 1.17 O ATOM 0 H SER A 91 -18.283 7.372 0.981 1.00 0.44 H new ATOM 0 HA SER A 91 -15.972 6.910 -0.643 1.00 0.50 H new ATOM 0 HB2 SER A 91 -16.216 9.420 -0.946 1.00 0.69 H new ATOM 0 HB3 SER A 91 -17.599 8.454 -1.418 1.00 0.69 H new ATOM 0 HG SER A 91 -18.206 10.279 -0.116 1.00 1.17 H new ATOM 1381 N TRP A 92 -14.069 8.072 0.561 1.00 0.50 N ATOM 1382 CA TRP A 92 -12.929 8.364 1.403 1.00 0.45 C ATOM 1383 C TRP A 92 -12.053 9.415 0.749 1.00 0.44 C ATOM 1384 O TRP A 92 -11.960 10.536 1.243 1.00 0.49 O ATOM 1385 CB TRP A 92 -12.167 7.072 1.681 1.00 0.47 C ATOM 1386 CG TRP A 92 -11.185 7.201 2.789 1.00 0.44 C ATOM 1387 CD1 TRP A 92 -11.445 7.172 4.126 1.00 0.47 C ATOM 1388 CD2 TRP A 92 -9.788 7.379 2.654 1.00 0.43 C ATOM 1389 NE1 TRP A 92 -10.280 7.323 4.833 1.00 0.49 N ATOM 1390 CE2 TRP A 92 -9.246 7.454 3.947 1.00 0.47 C ATOM 1391 CE3 TRP A 92 -8.943 7.484 1.560 1.00 0.45 C ATOM 1392 CZ2 TRP A 92 -7.885 7.625 4.166 1.00 0.51 C ATOM 1393 CZ3 TRP A 92 -7.603 7.658 1.778 1.00 0.48 C ATOM 1394 CH2 TRP A 92 -7.079 7.728 3.072 1.00 0.51 C ATOM 0 H TRP A 92 -13.853 7.960 -0.430 1.00 0.50 H new ATOM 0 HA TRP A 92 -13.261 8.773 2.357 1.00 0.45 H new ATOM 0 HB2 TRP A 92 -12.878 6.283 1.924 1.00 0.47 H new ATOM 0 HB3 TRP A 92 -11.645 6.763 0.775 1.00 0.47 H new ATOM 0 HD1 TRP A 92 -12.424 7.048 4.564 1.00 0.47 H new ATOM 0 HE1 TRP A 92 -10.198 7.336 5.850 1.00 0.49 H new ATOM 0 HE3 TRP A 92 -9.335 7.430 0.555 1.00 0.45 H new ATOM 0 HZ2 TRP A 92 -7.481 7.674 5.166 1.00 0.51 H new ATOM 0 HZ3 TRP A 92 -6.937 7.743 0.932 1.00 0.48 H new ATOM 0 HH2 TRP A 92 -6.016 7.866 3.207 1.00 0.51 H new ATOM 1405 N GLY A 93 -11.475 9.048 -0.391 1.00 0.47 N ATOM 1406 CA GLY A 93 -10.585 9.937 -1.147 1.00 0.49 C ATOM 1407 C GLY A 93 -9.707 10.839 -0.286 1.00 0.57 C ATOM 1408 O GLY A 93 -10.053 11.995 -0.033 1.00 1.25 O ATOM 0 H GLY A 93 -11.606 8.131 -0.819 1.00 0.47 H new ATOM 0 HA2 GLY A 93 -9.943 9.330 -1.785 1.00 0.49 H new ATOM 0 HA3 GLY A 93 -11.190 10.561 -1.805 1.00 0.49 H new ATOM 1412 N GLY A 94 -8.567 10.321 0.141 1.00 0.53 N ATOM 1413 CA GLY A 94 -7.679 11.080 0.993 1.00 0.50 C ATOM 1414 C GLY A 94 -6.244 10.613 0.885 1.00 0.50 C ATOM 1415 O GLY A 94 -5.846 10.043 -0.129 1.00 0.72 O ATOM 0 H GLY A 94 -8.240 9.383 -0.089 1.00 0.53 H new ATOM 0 HA2 GLY A 94 -7.737 12.135 0.726 1.00 0.50 H new ATOM 0 HA3 GLY A 94 -8.010 10.994 2.028 1.00 0.50 H new ATOM 1419 N THR A 95 -5.473 10.829 1.937 1.00 0.46 N ATOM 1420 CA THR A 95 -4.058 10.508 1.926 1.00 0.45 C ATOM 1421 C THR A 95 -3.738 9.262 2.751 1.00 0.40 C ATOM 1422 O THR A 95 -4.212 9.103 3.876 1.00 0.45 O ATOM 1423 CB THR A 95 -3.250 11.699 2.468 1.00 0.53 C ATOM 1424 OG1 THR A 95 -3.923 12.239 3.615 1.00 0.60 O ATOM 1425 CG2 THR A 95 -3.090 12.777 1.406 1.00 0.60 C ATOM 0 H THR A 95 -5.807 11.228 2.814 1.00 0.46 H new ATOM 0 HA THR A 95 -3.782 10.301 0.892 1.00 0.45 H new ATOM 0 HB THR A 95 -2.256 11.352 2.749 1.00 0.53 H new ATOM 0 HG1 THR A 95 -3.412 12.998 3.967 1.00 0.60 H new ATOM 0 HG21 THR A 95 -2.515 13.608 1.815 1.00 0.60 H new ATOM 0 HG22 THR A 95 -2.567 12.363 0.544 1.00 0.60 H new ATOM 0 HG23 THR A 95 -4.073 13.133 1.098 1.00 0.60 H new ATOM 1433 N ILE A 96 -2.950 8.373 2.166 1.00 0.38 N ATOM 1434 CA ILE A 96 -2.398 7.223 2.875 1.00 0.39 C ATOM 1435 C ILE A 96 -0.883 7.230 2.720 1.00 0.40 C ATOM 1436 O ILE A 96 -0.373 7.562 1.651 1.00 0.54 O ATOM 1437 CB ILE A 96 -2.946 5.860 2.374 1.00 0.49 C ATOM 1438 CG1 ILE A 96 -3.214 5.893 0.875 1.00 0.85 C ATOM 1439 CG2 ILE A 96 -4.202 5.454 3.124 1.00 0.93 C ATOM 1440 CD1 ILE A 96 -4.536 6.528 0.499 1.00 1.63 C ATOM 0 H ILE A 96 -2.673 8.426 1.186 1.00 0.38 H new ATOM 0 HA ILE A 96 -2.700 7.321 3.918 1.00 0.39 H new ATOM 0 HB ILE A 96 -2.178 5.113 2.572 1.00 0.49 H new ATOM 0 HG12 ILE A 96 -2.408 6.439 0.384 1.00 0.85 H new ATOM 0 HG13 ILE A 96 -3.190 4.874 0.490 1.00 0.85 H new ATOM 0 HG21 ILE A 96 -4.557 4.495 2.747 1.00 0.93 H new ATOM 0 HG22 ILE A 96 -3.978 5.365 4.187 1.00 0.93 H new ATOM 0 HG23 ILE A 96 -4.974 6.210 2.978 1.00 0.93 H new ATOM 0 HD11 ILE A 96 -4.652 6.513 -0.585 1.00 1.63 H new ATOM 0 HD12 ILE A 96 -5.352 5.970 0.959 1.00 1.63 H new ATOM 0 HD13 ILE A 96 -4.558 7.559 0.852 1.00 1.63 H new ATOM 1452 N GLY A 97 -0.164 6.879 3.769 1.00 0.39 N ATOM 1453 CA GLY A 97 1.277 6.963 3.722 1.00 0.45 C ATOM 1454 C GLY A 97 1.941 5.611 3.811 1.00 0.39 C ATOM 1455 O GLY A 97 1.396 4.679 4.402 1.00 0.37 O ATOM 0 H GLY A 97 -0.549 6.538 4.650 1.00 0.39 H new ATOM 0 HA2 GLY A 97 1.579 7.451 2.795 1.00 0.45 H new ATOM 0 HA3 GLY A 97 1.627 7.590 4.542 1.00 0.45 H new ATOM 1459 N ILE A 98 3.116 5.499 3.210 1.00 0.38 N ATOM 1460 CA ILE A 98 3.908 4.291 3.313 1.00 0.36 C ATOM 1461 C ILE A 98 4.878 4.418 4.474 1.00 0.38 C ATOM 1462 O ILE A 98 5.761 5.278 4.471 1.00 0.42 O ATOM 1463 CB ILE A 98 4.677 3.980 2.003 1.00 0.41 C ATOM 1464 CG1 ILE A 98 3.725 3.414 0.948 1.00 0.50 C ATOM 1465 CG2 ILE A 98 5.817 3.002 2.255 1.00 0.45 C ATOM 1466 CD1 ILE A 98 2.799 4.436 0.324 1.00 0.83 C ATOM 0 H ILE A 98 3.540 6.235 2.645 1.00 0.38 H new ATOM 0 HA ILE A 98 3.226 3.459 3.488 1.00 0.36 H new ATOM 0 HB ILE A 98 5.102 4.913 1.634 1.00 0.41 H new ATOM 0 HG12 ILE A 98 4.314 2.947 0.159 1.00 0.50 H new ATOM 0 HG13 ILE A 98 3.123 2.628 1.404 1.00 0.50 H new ATOM 0 HG21 ILE A 98 6.339 2.802 1.319 1.00 0.45 H new ATOM 0 HG22 ILE A 98 6.514 3.433 2.974 1.00 0.45 H new ATOM 0 HG23 ILE A 98 5.416 2.070 2.653 1.00 0.45 H new ATOM 0 HD11 ILE A 98 2.160 3.947 -0.412 1.00 0.83 H new ATOM 0 HD12 ILE A 98 2.180 4.887 1.099 1.00 0.83 H new ATOM 0 HD13 ILE A 98 3.389 5.211 -0.166 1.00 0.83 H new ATOM 1478 N TYR A 99 4.672 3.586 5.479 1.00 0.42 N ATOM 1479 CA TYR A 99 5.505 3.583 6.661 1.00 0.53 C ATOM 1480 C TYR A 99 6.131 2.208 6.818 1.00 0.44 C ATOM 1481 O TYR A 99 5.432 1.195 6.744 1.00 0.50 O ATOM 1482 CB TYR A 99 4.672 3.917 7.906 1.00 0.73 C ATOM 1483 CG TYR A 99 3.671 5.038 7.713 1.00 0.55 C ATOM 1484 CD1 TYR A 99 4.059 6.366 7.778 1.00 0.88 C ATOM 1485 CD2 TYR A 99 2.330 4.765 7.483 1.00 0.74 C ATOM 1486 CE1 TYR A 99 3.142 7.387 7.621 1.00 1.11 C ATOM 1487 CE2 TYR A 99 1.411 5.784 7.319 1.00 0.82 C ATOM 1488 CZ TYR A 99 1.822 7.092 7.389 1.00 0.92 C ATOM 1489 OH TYR A 99 0.909 8.112 7.234 1.00 1.28 O ATOM 0 H TYR A 99 3.922 2.895 5.496 1.00 0.42 H new ATOM 0 HA TYR A 99 6.284 4.338 6.554 1.00 0.53 H new ATOM 0 HB2 TYR A 99 4.138 3.021 8.221 1.00 0.73 H new ATOM 0 HB3 TYR A 99 5.348 4.187 8.718 1.00 0.73 H new ATOM 0 HD1 TYR A 99 5.097 6.607 7.955 1.00 0.88 H new ATOM 0 HD2 TYR A 99 1.999 3.738 7.431 1.00 0.74 H new ATOM 0 HE1 TYR A 99 3.463 8.416 7.681 1.00 1.11 H new ATOM 0 HE2 TYR A 99 0.372 5.552 7.136 1.00 0.82 H new ATOM 0 HH TYR A 99 0.019 7.733 7.076 1.00 1.28 H new ATOM 1499 N VAL A 100 7.439 2.168 7.008 1.00 0.44 N ATOM 1500 CA VAL A 100 8.135 0.904 7.172 1.00 0.40 C ATOM 1501 C VAL A 100 7.789 0.288 8.526 1.00 0.42 C ATOM 1502 O VAL A 100 7.617 0.998 9.517 1.00 0.56 O ATOM 1503 CB VAL A 100 9.668 1.070 7.061 1.00 0.50 C ATOM 1504 CG1 VAL A 100 10.219 1.803 8.270 1.00 1.14 C ATOM 1505 CG2 VAL A 100 10.348 -0.280 6.889 1.00 0.78 C ATOM 0 H VAL A 100 8.038 2.993 7.052 1.00 0.44 H new ATOM 0 HA VAL A 100 7.807 0.246 6.368 1.00 0.40 H new ATOM 0 HB VAL A 100 9.881 1.670 6.176 1.00 0.50 H new ATOM 0 HG11 VAL A 100 11.299 1.908 8.170 1.00 1.14 H new ATOM 0 HG12 VAL A 100 9.763 2.791 8.336 1.00 1.14 H new ATOM 0 HG13 VAL A 100 9.991 1.237 9.173 1.00 1.14 H new ATOM 0 HG21 VAL A 100 11.426 -0.137 6.813 1.00 0.78 H new ATOM 0 HG22 VAL A 100 10.125 -0.912 7.749 1.00 0.78 H new ATOM 0 HG23 VAL A 100 9.981 -0.759 5.982 1.00 0.78 H new ATOM 1515 N ASP A 101 7.659 -1.025 8.557 1.00 0.40 N ATOM 1516 CA ASP A 101 7.398 -1.735 9.802 1.00 0.50 C ATOM 1517 C ASP A 101 8.595 -1.630 10.751 1.00 0.59 C ATOM 1518 O ASP A 101 9.559 -2.387 10.627 1.00 0.77 O ATOM 1519 CB ASP A 101 7.080 -3.208 9.519 1.00 0.67 C ATOM 1520 CG ASP A 101 6.801 -3.996 10.784 1.00 0.83 C ATOM 1521 OD1 ASP A 101 5.715 -3.821 11.372 1.00 0.93 O ATOM 1522 OD2 ASP A 101 7.666 -4.796 11.197 1.00 1.02 O ATOM 0 H ASP A 101 7.729 -1.625 7.735 1.00 0.40 H new ATOM 0 HA ASP A 101 6.536 -1.272 10.282 1.00 0.50 H new ATOM 0 HB2 ASP A 101 6.215 -3.269 8.859 1.00 0.67 H new ATOM 0 HB3 ASP A 101 7.918 -3.662 8.990 1.00 0.67 H new ATOM 1527 N GLY A 102 8.535 -0.654 11.664 1.00 0.61 N ATOM 1528 CA GLY A 102 9.562 -0.484 12.687 1.00 0.81 C ATOM 1529 C GLY A 102 10.976 -0.465 12.134 1.00 0.85 C ATOM 1530 O GLY A 102 11.848 -1.148 12.666 1.00 1.53 O ATOM 0 H GLY A 102 7.781 0.031 11.711 1.00 0.61 H new ATOM 0 HA2 GLY A 102 9.378 0.447 13.223 1.00 0.81 H new ATOM 0 HA3 GLY A 102 9.476 -1.292 13.414 1.00 0.81 H new ATOM 1534 N GLN A 103 11.193 0.345 11.086 1.00 0.64 N ATOM 1535 CA GLN A 103 12.465 0.398 10.341 1.00 0.60 C ATOM 1536 C GLN A 103 13.098 -0.987 10.170 1.00 0.61 C ATOM 1537 O GLN A 103 13.907 -1.439 10.980 1.00 0.65 O ATOM 1538 CB GLN A 103 13.464 1.405 10.939 1.00 0.71 C ATOM 1539 CG GLN A 103 13.796 1.209 12.410 1.00 1.01 C ATOM 1540 CD GLN A 103 14.897 2.139 12.883 1.00 1.35 C ATOM 1541 OE1 GLN A 103 15.661 1.803 13.785 1.00 1.78 O ATOM 1542 NE2 GLN A 103 14.995 3.312 12.272 1.00 2.11 N ATOM 0 H GLN A 103 10.486 0.987 10.727 1.00 0.64 H new ATOM 0 HA GLN A 103 12.211 0.762 9.345 1.00 0.60 H new ATOM 0 HB2 GLN A 103 14.390 1.354 10.366 1.00 0.71 H new ATOM 0 HB3 GLN A 103 13.062 2.410 10.807 1.00 0.71 H new ATOM 0 HG2 GLN A 103 12.900 1.378 13.007 1.00 1.01 H new ATOM 0 HG3 GLN A 103 14.100 0.176 12.576 1.00 1.01 H new ATOM 0 HE21 GLN A 103 14.342 3.555 11.527 1.00 2.11 H new ATOM 0 HE22 GLN A 103 15.723 3.971 12.547 1.00 2.11 H new ATOM 1551 N GLN A 104 12.704 -1.650 9.090 1.00 0.73 N ATOM 1552 CA GLN A 104 13.127 -3.017 8.799 1.00 0.94 C ATOM 1553 C GLN A 104 14.640 -3.173 8.730 1.00 1.02 C ATOM 1554 O GLN A 104 15.263 -3.689 9.659 1.00 1.28 O ATOM 1555 CB GLN A 104 12.507 -3.473 7.477 1.00 1.12 C ATOM 1556 CG GLN A 104 11.138 -4.109 7.636 1.00 1.96 C ATOM 1557 CD GLN A 104 11.198 -5.436 8.359 1.00 1.98 C ATOM 1558 OE1 GLN A 104 12.185 -6.168 8.261 1.00 2.02 O ATOM 1559 NE2 GLN A 104 10.151 -5.750 9.095 1.00 2.62 N ATOM 0 H GLN A 104 12.079 -1.254 8.387 1.00 0.73 H new ATOM 0 HA GLN A 104 12.780 -3.639 9.624 1.00 0.94 H new ATOM 0 HB2 GLN A 104 12.425 -2.616 6.809 1.00 1.12 H new ATOM 0 HB3 GLN A 104 13.177 -4.187 6.998 1.00 1.12 H new ATOM 0 HG2 GLN A 104 10.486 -3.429 8.184 1.00 1.96 H new ATOM 0 HG3 GLN A 104 10.692 -4.254 6.652 1.00 1.96 H new ATOM 0 HE21 GLN A 104 9.355 -5.114 9.147 1.00 2.62 H new ATOM 0 HE22 GLN A 104 10.136 -6.629 9.612 1.00 2.62 H new ATOM 1568 N THR A 105 15.228 -2.723 7.634 1.00 1.14 N ATOM 1569 CA THR A 105 16.623 -3.022 7.355 1.00 1.42 C ATOM 1570 C THR A 105 17.316 -1.879 6.626 1.00 1.11 C ATOM 1571 O THR A 105 18.230 -1.250 7.164 1.00 1.04 O ATOM 1572 CB THR A 105 16.735 -4.295 6.492 1.00 1.90 C ATOM 1573 OG1 THR A 105 15.675 -4.311 5.523 1.00 2.27 O ATOM 1574 CG2 THR A 105 16.674 -5.555 7.345 1.00 2.43 C ATOM 0 H THR A 105 14.765 -2.153 6.927 1.00 1.14 H new ATOM 0 HA THR A 105 17.114 -3.171 8.317 1.00 1.42 H new ATOM 0 HB THR A 105 17.701 -4.280 5.987 1.00 1.90 H new ATOM 0 HG1 THR A 105 16.029 -4.052 4.647 1.00 2.27 H new ATOM 0 HG21 THR A 105 16.756 -6.433 6.704 1.00 2.43 H new ATOM 0 HG22 THR A 105 17.496 -5.550 8.060 1.00 2.43 H new ATOM 0 HG23 THR A 105 15.726 -5.585 7.882 1.00 2.43 H new ATOM 1582 N ASN A 106 16.854 -1.615 5.404 1.00 1.04 N ATOM 1583 CA ASN A 106 17.531 -0.704 4.492 1.00 0.88 C ATOM 1584 C ASN A 106 18.930 -1.253 4.212 1.00 0.81 C ATOM 1585 O ASN A 106 19.938 -0.552 4.289 1.00 0.79 O ATOM 1586 CB ASN A 106 17.555 0.724 5.068 1.00 0.97 C ATOM 1587 CG ASN A 106 18.223 1.747 4.156 1.00 0.86 C ATOM 1588 OD1 ASN A 106 17.610 2.243 3.209 1.00 1.56 O ATOM 1589 ND2 ASN A 106 19.455 2.114 4.467 1.00 0.80 N ATOM 0 H ASN A 106 16.002 -2.027 5.023 1.00 1.04 H new ATOM 0 HA ASN A 106 16.992 -0.637 3.547 1.00 0.88 H new ATOM 0 HB2 ASN A 106 16.532 1.042 5.267 1.00 0.97 H new ATOM 0 HB3 ASN A 106 18.076 0.710 6.025 1.00 0.97 H new ATOM 0 HD21 ASN A 106 19.928 2.830 3.916 1.00 0.80 H new ATOM 0 HD22 ASN A 106 19.932 1.681 5.258 1.00 0.80 H new ATOM 1596 N THR A 107 18.972 -2.543 3.912 1.00 0.86 N ATOM 1597 CA THR A 107 20.218 -3.206 3.564 1.00 0.89 C ATOM 1598 C THR A 107 20.654 -2.759 2.169 1.00 0.80 C ATOM 1599 O THR A 107 19.919 -2.988 1.209 1.00 0.86 O ATOM 1600 CB THR A 107 20.050 -4.740 3.600 1.00 1.13 C ATOM 1601 OG1 THR A 107 19.407 -5.131 4.821 1.00 1.68 O ATOM 1602 CG2 THR A 107 21.394 -5.442 3.493 1.00 1.53 C ATOM 0 H THR A 107 18.154 -3.152 3.903 1.00 0.86 H new ATOM 0 HA THR A 107 20.981 -2.931 4.292 1.00 0.89 H new ATOM 0 HB THR A 107 19.437 -5.032 2.747 1.00 1.13 H new ATOM 0 HG1 THR A 107 19.759 -4.595 5.562 1.00 1.68 H new ATOM 0 HG21 THR A 107 21.244 -6.521 3.521 1.00 1.53 H new ATOM 0 HG22 THR A 107 21.875 -5.167 2.554 1.00 1.53 H new ATOM 0 HG23 THR A 107 22.029 -5.142 4.327 1.00 1.53 H new ATOM 1610 N PRO A 108 21.891 -2.199 2.045 1.00 0.82 N ATOM 1611 CA PRO A 108 22.374 -1.425 0.899 1.00 0.84 C ATOM 1612 C PRO A 108 21.481 -1.499 -0.333 1.00 0.76 C ATOM 1613 O PRO A 108 21.687 -2.315 -1.233 1.00 0.91 O ATOM 1614 CB PRO A 108 23.737 -2.068 0.675 1.00 1.07 C ATOM 1615 CG PRO A 108 24.191 -2.482 2.053 1.00 1.26 C ATOM 1616 CD PRO A 108 22.995 -2.358 2.983 1.00 0.99 C ATOM 0 HA PRO A 108 22.397 -0.351 1.085 1.00 0.84 H new ATOM 0 HB2 PRO A 108 23.666 -2.926 0.006 1.00 1.07 H new ATOM 0 HB3 PRO A 108 24.437 -1.367 0.221 1.00 1.07 H new ATOM 0 HG2 PRO A 108 24.564 -3.506 2.042 1.00 1.26 H new ATOM 0 HG3 PRO A 108 25.009 -1.848 2.394 1.00 1.26 H new ATOM 0 HD2 PRO A 108 22.873 -3.242 3.609 1.00 0.99 H new ATOM 0 HD3 PRO A 108 23.087 -1.503 3.653 1.00 0.99 H new ATOM 1624 N PRO A 109 20.455 -0.638 -0.361 1.00 0.61 N ATOM 1625 CA PRO A 109 19.368 -0.713 -1.321 1.00 0.56 C ATOM 1626 C PRO A 109 19.645 0.015 -2.630 1.00 0.57 C ATOM 1627 O PRO A 109 20.765 0.434 -2.916 1.00 0.76 O ATOM 1628 CB PRO A 109 18.200 -0.041 -0.580 1.00 0.59 C ATOM 1629 CG PRO A 109 18.760 0.499 0.701 1.00 0.64 C ATOM 1630 CD PRO A 109 20.251 0.473 0.565 1.00 0.63 C ATOM 0 HA PRO A 109 19.186 -1.744 -1.624 1.00 0.56 H new ATOM 0 HB2 PRO A 109 17.768 0.759 -1.182 1.00 0.59 H new ATOM 0 HB3 PRO A 109 17.403 -0.758 -0.383 1.00 0.59 H new ATOM 0 HG2 PRO A 109 18.406 1.514 0.881 1.00 0.64 H new ATOM 0 HG3 PRO A 109 18.438 -0.106 1.549 1.00 0.64 H new ATOM 0 HD2 PRO A 109 20.640 1.411 0.169 1.00 0.63 H new ATOM 0 HD3 PRO A 109 20.745 0.302 1.522 1.00 0.63 H new ATOM 1638 N GLY A 110 18.587 0.145 -3.411 1.00 0.49 N ATOM 1639 CA GLY A 110 18.636 0.810 -4.687 1.00 0.58 C ATOM 1640 C GLY A 110 17.230 1.081 -5.160 1.00 0.54 C ATOM 1641 O GLY A 110 16.506 1.858 -4.538 1.00 0.76 O ATOM 0 H GLY A 110 17.664 -0.214 -3.168 1.00 0.49 H new ATOM 0 HA2 GLY A 110 19.190 1.745 -4.602 1.00 0.58 H new ATOM 0 HA3 GLY A 110 19.164 0.191 -5.413 1.00 0.58 H new ATOM 1645 N ASN A 111 16.816 0.406 -6.215 1.00 0.45 N ATOM 1646 CA ASN A 111 15.445 0.527 -6.692 1.00 0.44 C ATOM 1647 C ASN A 111 14.553 -0.504 -6.007 1.00 0.42 C ATOM 1648 O ASN A 111 14.897 -1.683 -5.928 1.00 0.58 O ATOM 1649 CB ASN A 111 15.379 0.350 -8.209 1.00 0.56 C ATOM 1650 CG ASN A 111 13.969 0.526 -8.739 1.00 1.10 C ATOM 1651 OD1 ASN A 111 13.189 1.310 -8.199 1.00 2.04 O ATOM 1652 ND2 ASN A 111 13.633 -0.207 -9.788 1.00 1.41 N ATOM 0 H ASN A 111 17.402 -0.229 -6.757 1.00 0.45 H new ATOM 0 HA ASN A 111 15.087 1.526 -6.445 1.00 0.44 H new ATOM 0 HB2 ASN A 111 16.039 1.073 -8.688 1.00 0.56 H new ATOM 0 HB3 ASN A 111 15.745 -0.641 -8.475 1.00 0.56 H new ATOM 0 HD21 ASN A 111 12.695 -0.135 -10.181 1.00 1.41 H new ATOM 0 HD22 ASN A 111 14.312 -0.844 -10.204 1.00 1.41 H new ATOM 1659 N TYR A 112 13.419 -0.052 -5.495 1.00 0.35 N ATOM 1660 CA TYR A 112 12.462 -0.925 -4.836 1.00 0.37 C ATOM 1661 C TYR A 112 11.103 -0.771 -5.478 1.00 0.42 C ATOM 1662 O TYR A 112 10.573 0.337 -5.580 1.00 0.55 O ATOM 1663 CB TYR A 112 12.352 -0.615 -3.340 1.00 0.40 C ATOM 1664 CG TYR A 112 13.426 -1.258 -2.490 1.00 0.40 C ATOM 1665 CD1 TYR A 112 14.771 -1.088 -2.772 1.00 0.64 C ATOM 1666 CD2 TYR A 112 13.086 -2.052 -1.404 1.00 0.68 C ATOM 1667 CE1 TYR A 112 15.742 -1.684 -1.998 1.00 0.67 C ATOM 1668 CE2 TYR A 112 14.052 -2.652 -0.623 1.00 0.75 C ATOM 1669 CZ TYR A 112 15.380 -2.465 -0.927 1.00 0.59 C ATOM 1670 OH TYR A 112 16.352 -3.051 -0.158 1.00 0.69 O ATOM 0 H TYR A 112 13.137 0.928 -5.525 1.00 0.35 H new ATOM 0 HA TYR A 112 12.816 -1.950 -4.947 1.00 0.37 H new ATOM 0 HB2 TYR A 112 12.393 0.465 -3.201 1.00 0.40 H new ATOM 0 HB3 TYR A 112 11.376 -0.945 -2.983 1.00 0.40 H new ATOM 0 HD1 TYR A 112 15.064 -0.477 -3.613 1.00 0.64 H new ATOM 0 HD2 TYR A 112 12.044 -2.203 -1.165 1.00 0.68 H new ATOM 0 HE1 TYR A 112 16.786 -1.538 -2.232 1.00 0.67 H new ATOM 0 HE2 TYR A 112 13.768 -3.264 0.220 1.00 0.75 H new ATOM 0 HH TYR A 112 16.177 -2.864 0.788 1.00 0.69 H new ATOM 1680 N THR A 113 10.548 -1.880 -5.909 1.00 0.38 N ATOM 1681 CA THR A 113 9.248 -1.884 -6.525 1.00 0.46 C ATOM 1682 C THR A 113 8.183 -2.241 -5.502 1.00 0.51 C ATOM 1683 O THR A 113 8.317 -3.208 -4.754 1.00 0.83 O ATOM 1684 CB THR A 113 9.191 -2.899 -7.676 1.00 0.62 C ATOM 1685 OG1 THR A 113 10.333 -2.744 -8.530 1.00 0.66 O ATOM 1686 CG2 THR A 113 7.915 -2.729 -8.488 1.00 0.74 C ATOM 0 H THR A 113 10.985 -2.799 -5.842 1.00 0.38 H new ATOM 0 HA THR A 113 9.063 -0.885 -6.919 1.00 0.46 H new ATOM 0 HB THR A 113 9.197 -3.900 -7.245 1.00 0.62 H new ATOM 0 HG1 THR A 113 10.287 -3.397 -9.259 1.00 0.66 H new ATOM 0 HG21 THR A 113 7.899 -3.459 -9.297 1.00 0.74 H new ATOM 0 HG22 THR A 113 7.050 -2.883 -7.843 1.00 0.74 H new ATOM 0 HG23 THR A 113 7.881 -1.723 -8.907 1.00 0.74 H new ATOM 1694 N LEU A 114 7.156 -1.427 -5.442 1.00 0.34 N ATOM 1695 CA LEU A 114 5.982 -1.734 -4.661 1.00 0.38 C ATOM 1696 C LEU A 114 4.762 -1.200 -5.393 1.00 0.40 C ATOM 1697 O LEU A 114 4.507 0.001 -5.426 1.00 0.47 O ATOM 1698 CB LEU A 114 6.079 -1.162 -3.237 1.00 0.43 C ATOM 1699 CG LEU A 114 6.631 0.257 -3.136 1.00 0.41 C ATOM 1700 CD1 LEU A 114 5.998 0.991 -1.965 1.00 0.51 C ATOM 1701 CD2 LEU A 114 8.147 0.240 -2.989 1.00 0.41 C ATOM 0 H LEU A 114 7.111 -0.534 -5.933 1.00 0.34 H new ATOM 0 HA LEU A 114 5.897 -2.815 -4.549 1.00 0.38 H new ATOM 0 HB2 LEU A 114 5.086 -1.180 -2.789 1.00 0.43 H new ATOM 0 HB3 LEU A 114 6.710 -1.822 -2.641 1.00 0.43 H new ATOM 0 HG LEU A 114 6.381 0.784 -4.057 1.00 0.41 H new ATOM 0 HD11 LEU A 114 6.403 2.001 -1.907 1.00 0.51 H new ATOM 0 HD12 LEU A 114 4.918 1.040 -2.107 1.00 0.51 H new ATOM 0 HD13 LEU A 114 6.218 0.458 -1.040 1.00 0.51 H new ATOM 0 HD21 LEU A 114 8.517 1.263 -2.919 1.00 0.41 H new ATOM 0 HD22 LEU A 114 8.419 -0.307 -2.086 1.00 0.41 H new ATOM 0 HD23 LEU A 114 8.591 -0.248 -3.857 1.00 0.41 H new ATOM 1713 N THR A 115 4.027 -2.102 -5.999 1.00 0.42 N ATOM 1714 CA THR A 115 2.913 -1.734 -6.838 1.00 0.45 C ATOM 1715 C THR A 115 1.633 -2.093 -6.121 1.00 0.44 C ATOM 1716 O THR A 115 1.449 -3.227 -5.694 1.00 0.47 O ATOM 1717 CB THR A 115 2.977 -2.444 -8.206 1.00 0.49 C ATOM 1718 OG1 THR A 115 4.256 -2.211 -8.817 1.00 0.56 O ATOM 1719 CG2 THR A 115 1.876 -1.948 -9.133 1.00 0.59 C ATOM 0 H THR A 115 4.184 -3.107 -5.925 1.00 0.42 H new ATOM 0 HA THR A 115 2.951 -0.662 -7.029 1.00 0.45 H new ATOM 0 HB THR A 115 2.835 -3.512 -8.040 1.00 0.49 H new ATOM 0 HG1 THR A 115 4.292 -2.665 -9.685 1.00 0.56 H new ATOM 0 HG21 THR A 115 1.945 -2.466 -10.090 1.00 0.59 H new ATOM 0 HG22 THR A 115 0.904 -2.147 -8.682 1.00 0.59 H new ATOM 0 HG23 THR A 115 1.990 -0.876 -9.292 1.00 0.59 H new ATOM 1727 N LEU A 116 0.774 -1.124 -5.940 1.00 0.45 N ATOM 1728 CA LEU A 116 -0.414 -1.326 -5.152 1.00 0.47 C ATOM 1729 C LEU A 116 -1.656 -1.241 -6.020 1.00 0.48 C ATOM 1730 O LEU A 116 -1.994 -0.184 -6.555 1.00 0.63 O ATOM 1731 CB LEU A 116 -0.466 -0.311 -4.006 1.00 0.54 C ATOM 1732 CG LEU A 116 0.642 -0.445 -2.947 1.00 0.61 C ATOM 1733 CD1 LEU A 116 0.825 -1.891 -2.523 1.00 1.27 C ATOM 1734 CD2 LEU A 116 1.955 0.142 -3.438 1.00 1.05 C ATOM 0 H LEU A 116 0.875 -0.186 -6.328 1.00 0.45 H new ATOM 0 HA LEU A 116 -0.382 -2.326 -4.720 1.00 0.47 H new ATOM 0 HB2 LEU A 116 -0.418 0.692 -4.431 1.00 0.54 H new ATOM 0 HB3 LEU A 116 -1.432 -0.401 -3.509 1.00 0.54 H new ATOM 0 HG LEU A 116 0.327 0.127 -2.074 1.00 0.61 H new ATOM 0 HD11 LEU A 116 1.615 -1.953 -1.774 1.00 1.27 H new ATOM 0 HD12 LEU A 116 -0.107 -2.267 -2.100 1.00 1.27 H new ATOM 0 HD13 LEU A 116 1.099 -2.492 -3.390 1.00 1.27 H new ATOM 0 HD21 LEU A 116 2.715 0.030 -2.665 1.00 1.05 H new ATOM 0 HD22 LEU A 116 2.274 -0.382 -4.339 1.00 1.05 H new ATOM 0 HD23 LEU A 116 1.819 1.200 -3.663 1.00 1.05 H new ATOM 1746 N THR A 117 -2.301 -2.378 -6.192 1.00 0.44 N ATOM 1747 CA THR A 117 -3.542 -2.454 -6.932 1.00 0.48 C ATOM 1748 C THR A 117 -4.703 -2.451 -5.943 1.00 0.58 C ATOM 1749 O THR A 117 -4.970 -3.447 -5.275 1.00 0.70 O ATOM 1750 CB THR A 117 -3.586 -3.729 -7.794 1.00 0.53 C ATOM 1751 OG1 THR A 117 -2.343 -3.871 -8.494 1.00 0.56 O ATOM 1752 CG2 THR A 117 -4.729 -3.671 -8.796 1.00 0.57 C ATOM 0 H THR A 117 -1.979 -3.273 -5.823 1.00 0.44 H new ATOM 0 HA THR A 117 -3.617 -1.595 -7.598 1.00 0.48 H new ATOM 0 HB THR A 117 -3.747 -4.585 -7.139 1.00 0.53 H new ATOM 0 HG1 THR A 117 -2.367 -4.683 -9.042 1.00 0.56 H new ATOM 0 HG21 THR A 117 -4.737 -4.584 -9.392 1.00 0.57 H new ATOM 0 HG22 THR A 117 -5.675 -3.577 -8.263 1.00 0.57 H new ATOM 0 HG23 THR A 117 -4.595 -2.811 -9.452 1.00 0.57 H new ATOM 1760 N GLY A 118 -5.371 -1.319 -5.826 1.00 0.63 N ATOM 1761 CA GLY A 118 -6.390 -1.172 -4.808 1.00 0.79 C ATOM 1762 C GLY A 118 -7.757 -1.537 -5.321 1.00 0.64 C ATOM 1763 O GLY A 118 -7.886 -2.283 -6.290 1.00 0.80 O ATOM 0 H GLY A 118 -5.228 -0.499 -6.415 1.00 0.63 H new ATOM 0 HA2 GLY A 118 -6.143 -1.803 -3.954 1.00 0.79 H new ATOM 0 HA3 GLY A 118 -6.400 -0.142 -4.451 1.00 0.79 H new ATOM 1767 N GLY A 119 -8.774 -1.018 -4.675 1.00 0.52 N ATOM 1768 CA GLY A 119 -10.120 -1.229 -5.135 1.00 0.50 C ATOM 1769 C GLY A 119 -11.075 -1.272 -3.979 1.00 0.44 C ATOM 1770 O GLY A 119 -10.704 -0.924 -2.855 1.00 0.53 O ATOM 0 H GLY A 119 -8.693 -0.449 -3.832 1.00 0.52 H new ATOM 0 HA2 GLY A 119 -10.405 -0.430 -5.819 1.00 0.50 H new ATOM 0 HA3 GLY A 119 -10.176 -2.163 -5.694 1.00 0.50 H new ATOM 1774 N TYR A 120 -12.292 -1.699 -4.228 1.00 0.42 N ATOM 1775 CA TYR A 120 -13.246 -1.817 -3.151 1.00 0.41 C ATOM 1776 C TYR A 120 -13.320 -3.254 -2.682 1.00 0.43 C ATOM 1777 O TYR A 120 -13.272 -4.195 -3.478 1.00 0.60 O ATOM 1778 CB TYR A 120 -14.632 -1.274 -3.536 1.00 0.48 C ATOM 1779 CG TYR A 120 -15.363 -2.038 -4.621 1.00 0.55 C ATOM 1780 CD1 TYR A 120 -16.180 -3.113 -4.301 1.00 0.61 C ATOM 1781 CD2 TYR A 120 -15.214 -1.700 -5.965 1.00 0.63 C ATOM 1782 CE1 TYR A 120 -16.834 -3.830 -5.285 1.00 0.71 C ATOM 1783 CE2 TYR A 120 -15.868 -2.412 -6.953 1.00 0.73 C ATOM 1784 CZ TYR A 120 -16.736 -3.402 -6.617 1.00 0.78 C ATOM 1785 OH TYR A 120 -17.332 -4.185 -7.586 1.00 0.89 O ATOM 0 H TYR A 120 -12.640 -1.966 -5.149 1.00 0.42 H new ATOM 0 HA TYR A 120 -12.898 -1.198 -2.325 1.00 0.41 H new ATOM 0 HB2 TYR A 120 -15.257 -1.262 -2.643 1.00 0.48 H new ATOM 0 HB3 TYR A 120 -14.519 -0.240 -3.860 1.00 0.48 H new ATOM 0 HD1 TYR A 120 -16.307 -3.394 -3.266 1.00 0.61 H new ATOM 0 HD2 TYR A 120 -14.579 -0.870 -6.238 1.00 0.63 H new ATOM 0 HE1 TYR A 120 -17.412 -4.707 -5.032 1.00 0.71 H new ATOM 0 HE2 TYR A 120 -15.689 -2.181 -7.993 1.00 0.73 H new ATOM 0 HH TYR A 120 -17.193 -3.778 -8.467 1.00 0.89 H new ATOM 1795 N TRP A 121 -13.379 -3.398 -1.381 1.00 0.39 N ATOM 1796 CA TRP A 121 -13.470 -4.684 -0.738 1.00 0.40 C ATOM 1797 C TRP A 121 -14.940 -5.038 -0.533 1.00 0.48 C ATOM 1798 O TRP A 121 -15.750 -4.163 -0.226 1.00 0.53 O ATOM 1799 CB TRP A 121 -12.719 -4.612 0.598 1.00 0.43 C ATOM 1800 CG TRP A 121 -12.857 -5.832 1.442 1.00 0.42 C ATOM 1801 CD1 TRP A 121 -13.952 -6.195 2.150 1.00 0.51 C ATOM 1802 CD2 TRP A 121 -11.873 -6.839 1.678 1.00 0.42 C ATOM 1803 NE1 TRP A 121 -13.721 -7.372 2.804 1.00 0.56 N ATOM 1804 CE2 TRP A 121 -12.452 -7.786 2.531 1.00 0.49 C ATOM 1805 CE3 TRP A 121 -10.564 -7.038 1.250 1.00 0.45 C ATOM 1806 CZ2 TRP A 121 -11.772 -8.908 2.960 1.00 0.53 C ATOM 1807 CZ3 TRP A 121 -9.887 -8.162 1.687 1.00 0.49 C ATOM 1808 CH2 TRP A 121 -10.494 -9.081 2.533 1.00 0.51 C ATOM 0 H TRP A 121 -13.365 -2.613 -0.730 1.00 0.39 H new ATOM 0 HA TRP A 121 -13.018 -5.462 -1.353 1.00 0.40 H new ATOM 0 HB2 TRP A 121 -11.661 -4.439 0.399 1.00 0.43 H new ATOM 0 HB3 TRP A 121 -13.082 -3.752 1.160 1.00 0.43 H new ATOM 0 HD1 TRP A 121 -14.875 -5.635 2.192 1.00 0.51 H new ATOM 0 HE1 TRP A 121 -14.389 -7.861 3.399 1.00 0.56 H new ATOM 0 HE3 TRP A 121 -10.086 -6.329 0.590 1.00 0.45 H new ATOM 0 HZ2 TRP A 121 -12.242 -9.627 3.615 1.00 0.53 H new ATOM 0 HZ3 TRP A 121 -8.870 -8.328 1.365 1.00 0.49 H new ATOM 0 HH2 TRP A 121 -9.940 -9.949 2.857 1.00 0.51 H new ATOM 1819 N ALA A 122 -15.289 -6.307 -0.712 1.00 0.57 N ATOM 1820 CA ALA A 122 -16.665 -6.730 -0.528 1.00 0.73 C ATOM 1821 C ALA A 122 -16.762 -8.148 0.032 1.00 0.90 C ATOM 1822 O ALA A 122 -17.388 -9.021 -0.564 1.00 1.42 O ATOM 1823 CB ALA A 122 -17.435 -6.611 -1.835 1.00 0.94 C ATOM 0 H ALA A 122 -14.644 -7.050 -0.981 1.00 0.57 H new ATOM 0 HA ALA A 122 -17.116 -6.065 0.209 1.00 0.73 H new ATOM 0 HB1 ALA A 122 -18.465 -6.932 -1.681 1.00 0.94 H new ATOM 0 HB2 ALA A 122 -17.424 -5.574 -2.171 1.00 0.94 H new ATOM 0 HB3 ALA A 122 -16.968 -7.242 -2.591 1.00 0.94 H new ATOM 1829 N LYS A 123 -16.142 -8.349 1.186 1.00 0.84 N ATOM 1830 CA LYS A 123 -16.202 -9.608 1.935 1.00 0.97 C ATOM 1831 C LYS A 123 -15.844 -9.320 3.387 1.00 0.83 C ATOM 1832 O LYS A 123 -16.255 -8.296 3.928 1.00 0.86 O ATOM 1833 CB LYS A 123 -15.237 -10.660 1.365 1.00 1.10 C ATOM 1834 CG LYS A 123 -15.740 -11.362 0.107 1.00 1.83 C ATOM 1835 CD LYS A 123 -17.122 -11.964 0.319 1.00 1.97 C ATOM 1836 CE LYS A 123 -17.713 -12.487 -0.983 1.00 2.89 C ATOM 1837 NZ LYS A 123 -19.148 -12.844 -0.833 1.00 3.47 N ATOM 0 H LYS A 123 -15.573 -7.635 1.640 1.00 0.84 H new ATOM 0 HA LYS A 123 -17.211 -10.014 1.855 1.00 0.97 H new ATOM 0 HB2 LYS A 123 -14.285 -10.179 1.141 1.00 1.10 H new ATOM 0 HB3 LYS A 123 -15.043 -11.410 2.132 1.00 1.10 H new ATOM 0 HG2 LYS A 123 -15.774 -10.651 -0.719 1.00 1.83 H new ATOM 0 HG3 LYS A 123 -15.040 -12.147 -0.177 1.00 1.83 H new ATOM 0 HD2 LYS A 123 -17.058 -12.777 1.042 1.00 1.97 H new ATOM 0 HD3 LYS A 123 -17.786 -11.211 0.744 1.00 1.97 H new ATOM 0 HE2 LYS A 123 -17.606 -11.731 -1.761 1.00 2.89 H new ATOM 0 HE3 LYS A 123 -17.153 -13.363 -1.311 1.00 2.89 H new ATOM 0 HZ1 LYS A 123 -19.515 -13.196 -1.740 1.00 3.47 H new ATOM 0 HZ2 LYS A 123 -19.248 -13.584 -0.109 1.00 3.47 H new ATOM 0 HZ3 LYS A 123 -19.687 -12.002 -0.545 1.00 3.47 H new ATOM 1851 N ASP A 124 -15.063 -10.197 4.008 1.00 0.82 N ATOM 1852 CA ASP A 124 -14.554 -9.936 5.353 1.00 0.81 C ATOM 1853 C ASP A 124 -13.261 -10.692 5.633 1.00 0.71 C ATOM 1854 O ASP A 124 -13.269 -11.885 5.920 1.00 0.74 O ATOM 1855 CB ASP A 124 -15.614 -10.226 6.426 1.00 1.07 C ATOM 1856 CG ASP A 124 -16.203 -11.622 6.341 1.00 1.65 C ATOM 1857 OD1 ASP A 124 -16.939 -11.907 5.373 1.00 2.02 O ATOM 1858 OD2 ASP A 124 -15.901 -12.455 7.222 1.00 2.08 O ATOM 0 H ASP A 124 -14.769 -11.088 3.607 1.00 0.82 H new ATOM 0 HA ASP A 124 -14.320 -8.872 5.400 1.00 0.81 H new ATOM 0 HB2 ASP A 124 -15.168 -10.089 7.411 1.00 1.07 H new ATOM 0 HB3 ASP A 124 -16.418 -9.496 6.336 1.00 1.07 H new ATOM 1863 N ASN A 125 -12.160 -9.944 5.516 1.00 0.70 N ATOM 1864 CA ASN A 125 -10.776 -10.419 5.718 1.00 0.73 C ATOM 1865 C ASN A 125 -10.348 -11.541 4.764 1.00 0.73 C ATOM 1866 O ASN A 125 -9.228 -11.515 4.255 1.00 0.91 O ATOM 1867 CB ASN A 125 -10.541 -10.843 7.163 1.00 0.87 C ATOM 1868 CG ASN A 125 -9.157 -11.429 7.379 1.00 1.71 C ATOM 1869 OD1 ASN A 125 -8.965 -12.644 7.315 1.00 2.47 O ATOM 1870 ND2 ASN A 125 -8.180 -10.573 7.626 1.00 2.40 N ATOM 0 H ASN A 125 -12.203 -8.955 5.269 1.00 0.70 H new ATOM 0 HA ASN A 125 -10.148 -9.560 5.482 1.00 0.73 H new ATOM 0 HB2 ASN A 125 -10.673 -9.981 7.817 1.00 0.87 H new ATOM 0 HB3 ASN A 125 -11.292 -11.579 7.449 1.00 0.87 H new ATOM 0 HD21 ASN A 125 -7.229 -10.912 7.771 1.00 2.40 H new ATOM 0 HD22 ASN A 125 -8.377 -9.573 7.672 1.00 2.40 H new ATOM 1877 N LYS A 126 -11.230 -12.500 4.516 1.00 0.66 N ATOM 1878 CA LYS A 126 -10.882 -13.700 3.765 1.00 0.76 C ATOM 1879 C LYS A 126 -10.229 -13.387 2.422 1.00 0.76 C ATOM 1880 O LYS A 126 -9.140 -13.888 2.134 1.00 1.09 O ATOM 1881 CB LYS A 126 -12.124 -14.579 3.556 1.00 0.84 C ATOM 1882 CG LYS A 126 -13.267 -13.889 2.821 1.00 0.82 C ATOM 1883 CD LYS A 126 -14.346 -14.876 2.418 1.00 0.88 C ATOM 1884 CE LYS A 126 -15.032 -15.489 3.627 1.00 1.39 C ATOM 1885 NZ LYS A 126 -16.074 -16.470 3.229 1.00 1.96 N ATOM 0 H LYS A 126 -12.201 -12.469 4.827 1.00 0.66 H new ATOM 0 HA LYS A 126 -10.147 -14.241 4.360 1.00 0.76 H new ATOM 0 HB2 LYS A 126 -11.834 -15.469 2.998 1.00 0.84 H new ATOM 0 HB3 LYS A 126 -12.484 -14.915 4.528 1.00 0.84 H new ATOM 0 HG2 LYS A 126 -13.698 -13.118 3.459 1.00 0.82 H new ATOM 0 HG3 LYS A 126 -12.880 -13.389 1.933 1.00 0.82 H new ATOM 0 HD2 LYS A 126 -15.086 -14.371 1.797 1.00 0.88 H new ATOM 0 HD3 LYS A 126 -13.906 -15.667 1.810 1.00 0.88 H new ATOM 0 HE2 LYS A 126 -14.290 -15.981 4.256 1.00 1.39 H new ATOM 0 HE3 LYS A 126 -15.485 -14.700 4.227 1.00 1.39 H new ATOM 0 HZ1 LYS A 126 -16.520 -16.867 4.080 1.00 1.96 H new ATOM 0 HZ2 LYS A 126 -16.795 -15.995 2.650 1.00 1.96 H new ATOM 0 HZ3 LYS A 126 -15.637 -17.236 2.678 1.00 1.96 H new ATOM 1899 N GLN A 127 -10.883 -12.523 1.651 1.00 0.63 N ATOM 1900 CA GLN A 127 -10.471 -12.152 0.301 1.00 0.64 C ATOM 1901 C GLN A 127 -11.691 -11.745 -0.499 1.00 0.63 C ATOM 1902 O GLN A 127 -12.358 -12.572 -1.115 1.00 0.91 O ATOM 1903 CB GLN A 127 -9.752 -13.275 -0.453 1.00 0.79 C ATOM 1904 CG GLN A 127 -9.322 -12.866 -1.856 1.00 1.28 C ATOM 1905 CD GLN A 127 -8.436 -13.890 -2.538 1.00 1.41 C ATOM 1906 OE1 GLN A 127 -8.479 -14.046 -3.757 1.00 2.02 O ATOM 1907 NE2 GLN A 127 -7.608 -14.578 -1.767 1.00 1.62 N ATOM 0 H GLN A 127 -11.734 -12.050 1.955 1.00 0.63 H new ATOM 0 HA GLN A 127 -9.764 -11.330 0.410 1.00 0.64 H new ATOM 0 HB2 GLN A 127 -8.874 -13.583 0.115 1.00 0.79 H new ATOM 0 HB3 GLN A 127 -10.410 -14.141 -0.518 1.00 0.79 H new ATOM 0 HG2 GLN A 127 -10.210 -12.701 -2.466 1.00 1.28 H new ATOM 0 HG3 GLN A 127 -8.791 -11.916 -1.802 1.00 1.28 H new ATOM 0 HE21 GLN A 127 -7.601 -14.421 -0.759 1.00 1.62 H new ATOM 0 HE22 GLN A 127 -6.978 -15.265 -2.181 1.00 1.62 H new ATOM 1916 N GLY A 128 -12.014 -10.482 -0.429 1.00 0.50 N ATOM 1917 CA GLY A 128 -13.054 -9.950 -1.270 1.00 0.50 C ATOM 1918 C GLY A 128 -12.714 -8.566 -1.741 1.00 0.45 C ATOM 1919 O GLY A 128 -13.007 -7.599 -1.063 1.00 0.77 O ATOM 0 H GLY A 128 -11.576 -9.806 0.197 1.00 0.50 H new ATOM 0 HA2 GLY A 128 -13.201 -10.604 -2.130 1.00 0.50 H new ATOM 0 HA3 GLY A 128 -13.995 -9.929 -0.721 1.00 0.50 H new ATOM 1923 N PHE A 129 -12.060 -8.468 -2.876 1.00 0.61 N ATOM 1924 CA PHE A 129 -11.667 -7.176 -3.406 1.00 0.63 C ATOM 1925 C PHE A 129 -11.754 -7.192 -4.926 1.00 0.58 C ATOM 1926 O PHE A 129 -11.888 -8.257 -5.527 1.00 0.63 O ATOM 1927 CB PHE A 129 -10.234 -6.847 -2.985 1.00 0.72 C ATOM 1928 CG PHE A 129 -9.202 -7.792 -3.550 1.00 0.77 C ATOM 1929 CD1 PHE A 129 -8.942 -9.009 -2.936 1.00 1.02 C ATOM 1930 CD2 PHE A 129 -8.487 -7.458 -4.690 1.00 0.75 C ATOM 1931 CE1 PHE A 129 -7.992 -9.872 -3.448 1.00 1.21 C ATOM 1932 CE2 PHE A 129 -7.537 -8.318 -5.207 1.00 0.89 C ATOM 1933 CZ PHE A 129 -7.290 -9.526 -4.585 1.00 1.14 C ATOM 0 H PHE A 129 -11.788 -9.265 -3.452 1.00 0.61 H new ATOM 0 HA PHE A 129 -12.341 -6.417 -3.010 1.00 0.63 H new ATOM 0 HB2 PHE A 129 -9.996 -5.832 -3.302 1.00 0.72 H new ATOM 0 HB3 PHE A 129 -10.172 -6.864 -1.897 1.00 0.72 H new ATOM 0 HD1 PHE A 129 -9.489 -9.285 -2.047 1.00 1.02 H new ATOM 0 HD2 PHE A 129 -8.675 -6.514 -5.180 1.00 0.75 H new ATOM 0 HE1 PHE A 129 -7.799 -10.816 -2.959 1.00 1.21 H new ATOM 0 HE2 PHE A 129 -6.988 -8.046 -6.096 1.00 0.89 H new ATOM 0 HZ PHE A 129 -6.548 -10.200 -4.988 1.00 1.14 H new ATOM 1943 N THR A 130 -11.655 -6.029 -5.547 1.00 0.61 N ATOM 1944 CA THR A 130 -11.587 -5.957 -6.997 1.00 0.63 C ATOM 1945 C THR A 130 -10.920 -4.657 -7.440 1.00 0.60 C ATOM 1946 O THR A 130 -11.273 -3.571 -6.970 1.00 0.67 O ATOM 1947 CB THR A 130 -12.990 -6.097 -7.637 1.00 0.73 C ATOM 1948 OG1 THR A 130 -12.927 -5.892 -9.054 1.00 1.47 O ATOM 1949 CG2 THR A 130 -13.969 -5.117 -7.025 1.00 0.90 C ATOM 0 H THR A 130 -11.620 -5.126 -5.073 1.00 0.61 H new ATOM 0 HA THR A 130 -10.980 -6.794 -7.343 1.00 0.63 H new ATOM 0 HB THR A 130 -13.339 -7.110 -7.440 1.00 0.73 H new ATOM 0 HG1 THR A 130 -13.823 -5.987 -9.438 1.00 1.47 H new ATOM 0 HG21 THR A 130 -14.946 -5.238 -7.494 1.00 0.90 H new ATOM 0 HG22 THR A 130 -14.054 -5.307 -5.955 1.00 0.90 H new ATOM 0 HG23 THR A 130 -13.613 -4.099 -7.185 1.00 0.90 H new ATOM 1957 N PRO A 131 -9.913 -4.762 -8.324 1.00 0.63 N ATOM 1958 CA PRO A 131 -9.197 -3.601 -8.857 1.00 0.65 C ATOM 1959 C PRO A 131 -10.110 -2.705 -9.685 1.00 0.63 C ATOM 1960 O PRO A 131 -10.551 -3.086 -10.770 1.00 0.75 O ATOM 1961 CB PRO A 131 -8.107 -4.214 -9.748 1.00 0.80 C ATOM 1962 CG PRO A 131 -8.014 -5.642 -9.331 1.00 0.92 C ATOM 1963 CD PRO A 131 -9.387 -6.026 -8.868 1.00 0.75 C ATOM 0 HA PRO A 131 -8.801 -2.969 -8.062 1.00 0.65 H new ATOM 0 HB2 PRO A 131 -8.368 -4.129 -10.803 1.00 0.80 H new ATOM 0 HB3 PRO A 131 -7.154 -3.702 -9.612 1.00 0.80 H new ATOM 0 HG2 PRO A 131 -7.692 -6.271 -10.161 1.00 0.92 H new ATOM 0 HG3 PRO A 131 -7.283 -5.769 -8.532 1.00 0.92 H new ATOM 0 HD2 PRO A 131 -10.000 -6.400 -9.688 1.00 0.75 H new ATOM 0 HD3 PRO A 131 -9.354 -6.810 -8.111 1.00 0.75 H new ATOM 1971 N SER A 132 -10.400 -1.523 -9.168 1.00 0.55 N ATOM 1972 CA SER A 132 -11.295 -0.601 -9.840 1.00 0.57 C ATOM 1973 C SER A 132 -10.676 0.789 -9.898 1.00 0.56 C ATOM 1974 O SER A 132 -10.807 1.575 -8.961 1.00 0.73 O ATOM 1975 CB SER A 132 -12.647 -0.562 -9.123 1.00 0.64 C ATOM 1976 OG SER A 132 -13.588 0.238 -9.823 1.00 1.52 O ATOM 0 H SER A 132 -10.027 -1.180 -8.283 1.00 0.55 H new ATOM 0 HA SER A 132 -11.456 -0.947 -10.861 1.00 0.57 H new ATOM 0 HB2 SER A 132 -13.035 -1.576 -9.021 1.00 0.64 H new ATOM 0 HB3 SER A 132 -12.514 -0.169 -8.115 1.00 0.64 H new ATOM 0 HG SER A 132 -14.107 0.768 -9.183 1.00 1.52 H new ATOM 1982 N GLY A 133 -9.963 1.068 -10.985 1.00 0.54 N ATOM 1983 CA GLY A 133 -9.358 2.376 -11.167 1.00 0.57 C ATOM 1984 C GLY A 133 -7.971 2.470 -10.557 1.00 0.62 C ATOM 1985 O GLY A 133 -7.287 3.486 -10.694 1.00 1.17 O ATOM 0 H GLY A 133 -9.793 0.410 -11.745 1.00 0.54 H new ATOM 0 HA2 GLY A 133 -9.298 2.599 -12.232 1.00 0.57 H new ATOM 0 HA3 GLY A 133 -10.000 3.134 -10.718 1.00 0.57 H new ATOM 1989 N THR A 134 -7.543 1.403 -9.905 1.00 0.62 N ATOM 1990 CA THR A 134 -6.365 1.437 -9.075 1.00 0.97 C ATOM 1991 C THR A 134 -5.130 0.853 -9.753 1.00 0.68 C ATOM 1992 O THR A 134 -5.068 -0.341 -10.046 1.00 0.95 O ATOM 1993 CB THR A 134 -6.660 0.624 -7.817 1.00 1.77 C ATOM 1994 OG1 THR A 134 -7.271 -0.616 -8.204 1.00 2.38 O ATOM 1995 CG2 THR A 134 -7.593 1.377 -6.892 1.00 2.47 C ATOM 0 H THR A 134 -8.005 0.494 -9.940 1.00 0.62 H new ATOM 0 HA THR A 134 -6.142 2.481 -8.857 1.00 0.97 H new ATOM 0 HB THR A 134 -5.726 0.441 -7.286 1.00 1.77 H new ATOM 0 HG1 THR A 134 -6.718 -1.055 -8.884 1.00 2.38 H new ATOM 0 HG21 THR A 134 -7.787 0.776 -6.003 1.00 2.47 H new ATOM 0 HG22 THR A 134 -7.132 2.320 -6.599 1.00 2.47 H new ATOM 0 HG23 THR A 134 -8.532 1.577 -7.407 1.00 2.47 H new ATOM 2003 N THR A 135 -4.152 1.696 -10.018 1.00 0.72 N ATOM 2004 CA THR A 135 -2.825 1.225 -10.360 1.00 0.70 C ATOM 2005 C THR A 135 -1.779 2.128 -9.715 1.00 0.64 C ATOM 2006 O THR A 135 -1.426 3.170 -10.263 1.00 0.88 O ATOM 2007 CB THR A 135 -2.614 1.160 -11.887 1.00 1.08 C ATOM 2008 OG1 THR A 135 -3.638 0.347 -12.479 1.00 1.82 O ATOM 2009 CG2 THR A 135 -1.246 0.582 -12.228 1.00 1.27 C ATOM 0 H THR A 135 -4.251 2.711 -10.003 1.00 0.72 H new ATOM 0 HA THR A 135 -2.717 0.210 -9.977 1.00 0.70 H new ATOM 0 HB THR A 135 -2.667 2.174 -12.284 1.00 1.08 H new ATOM 0 HG1 THR A 135 -3.504 0.307 -13.449 1.00 1.82 H new ATOM 0 HG21 THR A 135 -1.125 0.548 -13.311 1.00 1.27 H new ATOM 0 HG22 THR A 135 -0.467 1.210 -11.795 1.00 1.27 H new ATOM 0 HG23 THR A 135 -1.166 -0.426 -11.822 1.00 1.27 H new ATOM 2017 N GLY A 136 -1.298 1.735 -8.549 1.00 0.52 N ATOM 2018 CA GLY A 136 -0.369 2.571 -7.828 1.00 0.58 C ATOM 2019 C GLY A 136 1.024 2.001 -7.798 1.00 0.45 C ATOM 2020 O GLY A 136 1.399 1.312 -6.852 1.00 0.67 O ATOM 0 H GLY A 136 -1.534 0.855 -8.091 1.00 0.52 H new ATOM 0 HA2 GLY A 136 -0.343 3.559 -8.288 1.00 0.58 H new ATOM 0 HA3 GLY A 136 -0.724 2.705 -6.806 1.00 0.58 H new ATOM 2024 N THR A 137 1.792 2.271 -8.835 1.00 0.38 N ATOM 2025 CA THR A 137 3.164 1.815 -8.885 1.00 0.33 C ATOM 2026 C THR A 137 4.044 2.757 -8.082 1.00 0.33 C ATOM 2027 O THR A 137 4.467 3.802 -8.578 1.00 0.39 O ATOM 2028 CB THR A 137 3.684 1.738 -10.331 1.00 0.42 C ATOM 2029 OG1 THR A 137 2.705 1.101 -11.166 1.00 0.58 O ATOM 2030 CG2 THR A 137 4.992 0.958 -10.395 1.00 0.50 C ATOM 0 H THR A 137 1.489 2.802 -9.651 1.00 0.38 H new ATOM 0 HA THR A 137 3.199 0.812 -8.459 1.00 0.33 H new ATOM 0 HB THR A 137 3.865 2.753 -10.685 1.00 0.42 H new ATOM 0 HG1 THR A 137 3.039 1.056 -12.086 1.00 0.58 H new ATOM 0 HG21 THR A 137 5.341 0.917 -11.427 1.00 0.50 H new ATOM 0 HG22 THR A 137 5.742 1.454 -9.778 1.00 0.50 H new ATOM 0 HG23 THR A 137 4.830 -0.055 -10.026 1.00 0.50 H new ATOM 2038 N THR A 138 4.284 2.410 -6.831 1.00 0.32 N ATOM 2039 CA THR A 138 5.138 3.214 -5.986 1.00 0.36 C ATOM 2040 C THR A 138 6.577 2.744 -6.141 1.00 0.37 C ATOM 2041 O THR A 138 6.936 1.649 -5.717 1.00 0.38 O ATOM 2042 CB THR A 138 4.708 3.131 -4.509 1.00 0.39 C ATOM 2043 OG1 THR A 138 3.309 3.426 -4.397 1.00 0.40 O ATOM 2044 CG2 THR A 138 5.504 4.108 -3.652 1.00 0.52 C ATOM 0 H THR A 138 3.900 1.579 -6.381 1.00 0.32 H new ATOM 0 HA THR A 138 5.052 4.256 -6.295 1.00 0.36 H new ATOM 0 HB THR A 138 4.903 2.120 -4.152 1.00 0.39 H new ATOM 0 HG1 THR A 138 3.037 3.371 -3.457 1.00 0.40 H new ATOM 0 HG21 THR A 138 5.180 4.029 -2.614 1.00 0.52 H new ATOM 0 HG22 THR A 138 6.566 3.871 -3.720 1.00 0.52 H new ATOM 0 HG23 THR A 138 5.336 5.125 -4.008 1.00 0.52 H new ATOM 2052 N LYS A 139 7.387 3.549 -6.794 1.00 0.41 N ATOM 2053 CA LYS A 139 8.768 3.193 -7.021 1.00 0.44 C ATOM 2054 C LYS A 139 9.654 3.973 -6.077 1.00 0.44 C ATOM 2055 O LYS A 139 9.815 5.189 -6.192 1.00 0.49 O ATOM 2056 CB LYS A 139 9.135 3.441 -8.485 1.00 0.53 C ATOM 2057 CG LYS A 139 10.370 2.688 -8.945 1.00 0.59 C ATOM 2058 CD LYS A 139 10.465 2.643 -10.467 1.00 1.21 C ATOM 2059 CE LYS A 139 9.256 1.944 -11.075 1.00 1.33 C ATOM 2060 NZ LYS A 139 9.378 1.783 -12.547 1.00 2.18 N ATOM 0 H LYS A 139 7.112 4.454 -7.176 1.00 0.41 H new ATOM 0 HA LYS A 139 8.917 2.132 -6.820 1.00 0.44 H new ATOM 0 HB2 LYS A 139 8.292 3.156 -9.114 1.00 0.53 H new ATOM 0 HB3 LYS A 139 9.296 4.509 -8.633 1.00 0.53 H new ATOM 0 HG2 LYS A 139 11.261 3.166 -8.538 1.00 0.59 H new ATOM 0 HG3 LYS A 139 10.345 1.672 -8.551 1.00 0.59 H new ATOM 0 HD2 LYS A 139 10.537 3.657 -10.859 1.00 1.21 H new ATOM 0 HD3 LYS A 139 11.376 2.122 -10.762 1.00 1.21 H new ATOM 0 HE2 LYS A 139 9.136 0.964 -10.613 1.00 1.33 H new ATOM 0 HE3 LYS A 139 8.356 2.516 -10.848 1.00 1.33 H new ATOM 0 HZ1 LYS A 139 8.532 1.303 -12.915 1.00 2.18 H new ATOM 0 HZ2 LYS A 139 9.466 2.719 -12.992 1.00 2.18 H new ATOM 0 HZ3 LYS A 139 10.221 1.215 -12.765 1.00 2.18 H new ATOM 2074 N LEU A 140 10.193 3.252 -5.124 1.00 0.45 N ATOM 2075 CA LEU A 140 11.014 3.826 -4.092 1.00 0.44 C ATOM 2076 C LEU A 140 12.473 3.486 -4.361 1.00 0.39 C ATOM 2077 O LEU A 140 12.913 2.359 -4.153 1.00 0.40 O ATOM 2078 CB LEU A 140 10.546 3.301 -2.728 1.00 0.46 C ATOM 2079 CG LEU A 140 11.511 3.519 -1.573 1.00 0.53 C ATOM 2080 CD1 LEU A 140 11.769 5.003 -1.349 1.00 0.63 C ATOM 2081 CD2 LEU A 140 10.981 2.868 -0.306 1.00 0.62 C ATOM 0 H LEU A 140 10.072 2.242 -5.044 1.00 0.45 H new ATOM 0 HA LEU A 140 10.921 4.912 -4.086 1.00 0.44 H new ATOM 0 HB2 LEU A 140 9.598 3.779 -2.481 1.00 0.46 H new ATOM 0 HB3 LEU A 140 10.351 2.232 -2.818 1.00 0.46 H new ATOM 0 HG LEU A 140 12.460 3.049 -1.831 1.00 0.53 H new ATOM 0 HD11 LEU A 140 12.462 5.130 -0.518 1.00 0.63 H new ATOM 0 HD12 LEU A 140 12.200 5.438 -2.251 1.00 0.63 H new ATOM 0 HD13 LEU A 140 10.829 5.505 -1.118 1.00 0.63 H new ATOM 0 HD21 LEU A 140 11.684 3.034 0.510 1.00 0.62 H new ATOM 0 HD22 LEU A 140 10.016 3.305 -0.048 1.00 0.62 H new ATOM 0 HD23 LEU A 140 10.862 1.797 -0.470 1.00 0.62 H new ATOM 2093 N THR A 141 13.211 4.461 -4.847 1.00 0.39 N ATOM 2094 CA THR A 141 14.585 4.244 -5.257 1.00 0.38 C ATOM 2095 C THR A 141 15.541 5.084 -4.419 1.00 0.34 C ATOM 2096 O THR A 141 15.254 6.233 -4.118 1.00 0.40 O ATOM 2097 CB THR A 141 14.764 4.624 -6.738 1.00 0.48 C ATOM 2098 OG1 THR A 141 13.692 4.080 -7.520 1.00 0.58 O ATOM 2099 CG2 THR A 141 16.094 4.118 -7.276 1.00 0.54 C ATOM 0 H THR A 141 12.881 5.418 -4.969 1.00 0.39 H new ATOM 0 HA THR A 141 14.812 3.188 -5.113 1.00 0.38 H new ATOM 0 HB THR A 141 14.752 5.712 -6.810 1.00 0.48 H new ATOM 0 HG1 THR A 141 13.790 3.107 -7.577 1.00 0.58 H new ATOM 0 HG21 THR A 141 16.194 4.401 -8.324 1.00 0.54 H new ATOM 0 HG22 THR A 141 16.910 4.558 -6.702 1.00 0.54 H new ATOM 0 HG23 THR A 141 16.133 3.032 -7.188 1.00 0.54 H new ATOM 2107 N VAL A 142 16.658 4.505 -4.019 1.00 0.44 N ATOM 2108 CA VAL A 142 17.720 5.277 -3.398 1.00 0.57 C ATOM 2109 C VAL A 142 18.680 5.736 -4.482 1.00 0.77 C ATOM 2110 O VAL A 142 19.367 4.911 -5.084 1.00 1.10 O ATOM 2111 CB VAL A 142 18.505 4.465 -2.346 1.00 0.80 C ATOM 2112 CG1 VAL A 142 19.527 5.343 -1.637 1.00 1.69 C ATOM 2113 CG2 VAL A 142 17.569 3.814 -1.344 1.00 1.74 C ATOM 0 H VAL A 142 16.854 3.508 -4.112 1.00 0.44 H new ATOM 0 HA VAL A 142 17.262 6.122 -2.884 1.00 0.57 H new ATOM 0 HB VAL A 142 19.039 3.672 -2.869 1.00 0.80 H new ATOM 0 HG11 VAL A 142 20.068 4.749 -0.900 1.00 1.69 H new ATOM 0 HG12 VAL A 142 20.230 5.745 -2.367 1.00 1.69 H new ATOM 0 HG13 VAL A 142 19.015 6.165 -1.136 1.00 1.69 H new ATOM 0 HG21 VAL A 142 18.151 3.249 -0.616 1.00 1.74 H new ATOM 0 HG22 VAL A 142 16.994 4.584 -0.830 1.00 1.74 H new ATOM 0 HG23 VAL A 142 16.889 3.141 -1.866 1.00 1.74 H new ATOM 2123 N THR A 143 18.698 7.042 -4.736 1.00 0.85 N ATOM 2124 CA THR A 143 19.512 7.627 -5.798 1.00 1.18 C ATOM 2125 C THR A 143 18.914 7.315 -7.175 1.00 1.82 C ATOM 2126 O THR A 143 18.041 8.085 -7.633 1.00 2.22 O ATOM 2127 CB THR A 143 20.979 7.143 -5.738 1.00 1.54 C ATOM 2128 OG1 THR A 143 21.497 7.298 -4.405 1.00 2.04 O ATOM 2129 CG2 THR A 143 21.852 7.922 -6.712 1.00 1.94 C ATOM 2130 OXT THR A 143 19.311 6.306 -7.799 1.00 2.58 O ATOM 0 H THR A 143 18.149 7.724 -4.212 1.00 0.85 H new ATOM 0 HA THR A 143 19.510 8.706 -5.643 1.00 1.18 H new ATOM 0 HB THR A 143 20.996 6.090 -6.018 1.00 1.54 H new ATOM 0 HG1 THR A 143 22.426 6.987 -4.377 1.00 2.04 H new ATOM 0 HG21 THR A 143 22.879 7.561 -6.649 1.00 1.94 H new ATOM 0 HG22 THR A 143 21.480 7.782 -7.727 1.00 1.94 H new ATOM 0 HG23 THR A 143 21.824 8.982 -6.458 1.00 1.94 H new