USER MOD reduce.3.24.130724 H: found=0, std=0, add=1078, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1072 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 40 THR OG1 : rot 95:sc= 1.16 USER MOD Set 1.2: A 127 SER OG : rot 180:sc= 1.04 USER MOD Set 2.1: A 65 GLN : amide:sc= -0.183 K(o=-1.1,f=-5.5) USER MOD Set 2.2: A 102 ASN : amide:sc= -0.961 K(o=-1.1,f=-4.6!) USER MOD Set 3.1: A 96 THR OG1 : rot 41:sc= 0.153 USER MOD Set 3.2: A 101 GLN : amide:sc= -0.864! C(o=-0.71!,f=-2.2!) USER MOD Set 4.1: A 77 SER OG : rot 89:sc= 1.09 USER MOD Set 4.2: A 79 SER OG : rot 143:sc= 0.564 USER MOD Set 5.1: A 70 GLN : amide:sc= -0.937 K(o=-0.94,f=-2.1!) USER MOD Set 5.2: A 71 THR OG1 : rot 180:sc= 0 USER MOD Set 6.1: A 52 CYS SG : rot -3:sc= 1.18 USER MOD Set 6.2: A 54 HIS : no HE2:sc= -0.294 K(o=0.88,f=-0.57!) USER MOD Set 7.1: A 41 THR OG1 : rot 145:sc= 1.27 USER MOD Set 7.2: A 47 GLN : amide:sc= -1.03 K(o=0.24,f=-5.3!) USER MOD Set 8.1: A 29 ASN : amide:sc= 0.74 K(o=1.9,f=0.31) USER MOD Set 8.2: A 37 THR OG1 : rot 41:sc= 1.15 USER MOD Single : A 3 LYS NZ :NH3+ 145:sc= 2.22 (180deg=1.17) USER MOD Single : A 7 CYS SG : rot -138:sc= -0.189 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot -26:sc= 0.138 USER MOD Single : A 13 SER OG : rot 143:sc= 1.25 USER MOD Single : A 19 THR OG1 : rot -110:sc= 0.311 USER MOD Single : A 20 SER OG : rot -62:sc= -0.297 USER MOD Single : A 21 SER OG : rot 180:sc= -0.278 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=-0.0016) USER MOD Single : A 34 ASN : amide:sc= -0.369 X(o=-0.37,f=-0.44) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.0322 USER MOD Single : A 44 MET CE :methyl 171:sc= -0.609 (180deg=-0.805) USER MOD Single : A 55 LYS NZ :NH3+ 161:sc= 0.194 (180deg=-1.57!) USER MOD Single : A 56 HIS : no HD1:sc= -0.227 X(o=-0.23,f=0) USER MOD Single : A 66 SER OG : rot 180:sc= -0.0354 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 173:sc= -0.809! (180deg=-1.71!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot -120:sc= 1.26 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= -0.369 X(o=-0.37,f=-0.0099) USER MOD Single : A 91 LYS NZ :NH3+ -167:sc= 1.12 (180deg=0.575) USER MOD Single : A 95 HIS : no HD1:sc= 0.629 K(o=0.63,f=-4.4!) USER MOD Single : A 99 GLN : amide:sc= -0.853 K(o=-0.85,f=0) USER MOD Single : A 108 HIS : no HD1:sc= -0.865 K(o=-0.87,f=0) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 164:sc= 0.00774 USER MOD Single : A 113 TYR OH : rot 30:sc= 1.14 USER MOD Single : A 120 SER OG : rot 33:sc= 0.0355 USER MOD Single : A 124 HIS : no HD1:sc= 0 X(o=0,f=-0.078) USER MOD Single : A 129 HIS : no HD1:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 132 SER OG : rot 180:sc= -0.0643 USER MOD Single : A 136 THR OG1 : rot -73:sc= 1.38 USER MOD Single : A 139 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N ARG A 2 1.328 -13.095 5.103 1.00 0.00 N ATOM 19 CA ARG A 2 0.275 -12.713 4.164 1.00 0.00 C ATOM 20 C ARG A 2 0.408 -11.248 3.745 1.00 0.00 C ATOM 21 O ARG A 2 -0.517 -10.660 3.192 1.00 0.00 O ATOM 22 CB ARG A 2 -1.108 -12.985 4.762 1.00 0.00 C ATOM 23 CG ARG A 2 -1.499 -12.054 5.897 1.00 0.00 C ATOM 24 CD ARG A 2 -2.812 -12.484 6.531 1.00 0.00 C ATOM 25 NE ARG A 2 -3.851 -12.741 5.533 1.00 0.00 N ATOM 26 CZ ARG A 2 -5.001 -13.362 5.793 1.00 0.00 C ATOM 27 NH1 ARG A 2 -5.299 -13.740 7.033 1.00 0.00 N ATOM 28 NH2 ARG A 2 -5.856 -13.595 4.808 1.00 0.00 N ATOM 0 HA ARG A 2 0.388 -13.325 3.269 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -1.854 -12.906 3.971 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -1.137 -14.012 5.125 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -0.713 -12.046 6.652 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -1.590 -11.035 5.521 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -2.649 -13.384 7.124 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -3.153 -11.708 7.217 1.00 0.00 H new ATOM 0 HE ARG A 2 -3.684 -12.425 4.578 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -4.645 -13.555 7.794 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -6.181 -14.215 7.223 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -5.632 -13.300 3.858 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -6.738 -14.070 5.000 1.00 0.00 H new ATOM 42 N LYS A 3 1.566 -10.668 4.016 1.00 0.00 N ATOM 43 CA LYS A 3 1.884 -9.344 3.522 1.00 0.00 C ATOM 44 C LYS A 3 3.237 -9.361 2.836 1.00 0.00 C ATOM 45 O LYS A 3 4.280 -9.235 3.479 1.00 0.00 O ATOM 46 CB LYS A 3 1.884 -8.288 4.634 1.00 0.00 C ATOM 47 CG LYS A 3 2.422 -6.940 4.159 1.00 0.00 C ATOM 48 CD LYS A 3 2.426 -5.893 5.258 1.00 0.00 C ATOM 49 CE LYS A 3 3.240 -4.668 4.854 1.00 0.00 C ATOM 50 NZ LYS A 3 2.872 -4.159 3.503 1.00 0.00 N ATOM 0 H LYS A 3 2.301 -11.097 4.577 1.00 0.00 H new ATOM 0 HA LYS A 3 1.105 -9.070 2.811 1.00 0.00 H new ATOM 0 HB2 LYS A 3 0.868 -8.159 5.008 1.00 0.00 H new ATOM 0 HB3 LYS A 3 2.489 -8.643 5.468 1.00 0.00 H new ATOM 0 HG2 LYS A 3 3.437 -7.070 3.783 1.00 0.00 H new ATOM 0 HG3 LYS A 3 1.816 -6.584 3.326 1.00 0.00 H new ATOM 0 HD2 LYS A 3 1.402 -5.594 5.482 1.00 0.00 H new ATOM 0 HD3 LYS A 3 2.840 -6.322 6.171 1.00 0.00 H new ATOM 0 HE2 LYS A 3 3.091 -3.878 5.590 1.00 0.00 H new ATOM 0 HE3 LYS A 3 4.300 -4.920 4.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 2.944 -3.122 3.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 3.519 -4.559 2.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 1.896 -4.441 3.280 1.00 0.00 H new ATOM 64 N ILE A 4 3.216 -9.586 1.544 1.00 0.00 N ATOM 65 CA ILE A 4 4.390 -9.391 0.726 1.00 0.00 C ATOM 66 C ILE A 4 4.061 -8.351 -0.328 1.00 0.00 C ATOM 67 O ILE A 4 3.094 -8.498 -1.072 1.00 0.00 O ATOM 68 CB ILE A 4 4.885 -10.714 0.085 1.00 0.00 C ATOM 69 CG1 ILE A 4 6.060 -10.449 -0.862 1.00 0.00 C ATOM 70 CG2 ILE A 4 3.754 -11.433 -0.638 1.00 0.00 C ATOM 71 CD1 ILE A 4 6.685 -11.708 -1.427 1.00 0.00 C ATOM 0 H ILE A 4 2.393 -9.906 1.033 1.00 0.00 H new ATOM 0 HA ILE A 4 5.211 -9.042 1.352 1.00 0.00 H new ATOM 0 HB ILE A 4 5.233 -11.367 0.886 1.00 0.00 H new ATOM 0 HG12 ILE A 4 5.717 -9.824 -1.686 1.00 0.00 H new ATOM 0 HG13 ILE A 4 6.824 -9.883 -0.329 1.00 0.00 H new ATOM 0 HG21 ILE A 4 4.132 -12.356 -1.077 1.00 0.00 H new ATOM 0 HG22 ILE A 4 2.959 -11.666 0.071 1.00 0.00 H new ATOM 0 HG23 ILE A 4 3.360 -10.791 -1.426 1.00 0.00 H new ATOM 0 HD11 ILE A 4 7.509 -11.440 -2.088 1.00 0.00 H new ATOM 0 HD12 ILE A 4 7.060 -12.326 -0.611 1.00 0.00 H new ATOM 0 HD13 ILE A 4 5.936 -12.265 -1.989 1.00 0.00 H new ATOM 83 N ASP A 5 4.817 -7.263 -0.334 1.00 0.00 N ATOM 84 CA ASP A 5 4.542 -6.155 -1.233 1.00 0.00 C ATOM 85 C ASP A 5 4.884 -6.534 -2.666 1.00 0.00 C ATOM 86 O ASP A 5 6.020 -6.409 -3.123 1.00 0.00 O ATOM 87 CB ASP A 5 5.273 -4.894 -0.770 1.00 0.00 C ATOM 88 CG ASP A 5 4.672 -4.342 0.515 1.00 0.00 C ATOM 89 OD1 ASP A 5 4.856 -4.961 1.587 1.00 0.00 O ATOM 90 OD2 ASP A 5 3.983 -3.307 0.456 1.00 0.00 O ATOM 0 H ASP A 5 5.625 -7.125 0.273 1.00 0.00 H new ATOM 0 HA ASP A 5 3.475 -5.931 -1.208 1.00 0.00 H new ATOM 0 HB2 ASP A 5 6.327 -5.121 -0.612 1.00 0.00 H new ATOM 0 HB3 ASP A 5 5.224 -4.136 -1.551 1.00 0.00 H new ATOM 95 N LEU A 6 3.853 -6.994 -3.357 1.00 0.00 N ATOM 96 CA LEU A 6 3.972 -7.641 -4.655 1.00 0.00 C ATOM 97 C LEU A 6 4.154 -6.648 -5.796 1.00 0.00 C ATOM 98 O LEU A 6 4.063 -7.014 -6.964 1.00 0.00 O ATOM 99 CB LEU A 6 2.719 -8.491 -4.893 1.00 0.00 C ATOM 100 CG LEU A 6 2.477 -9.580 -3.843 1.00 0.00 C ATOM 101 CD1 LEU A 6 1.011 -9.982 -3.792 1.00 0.00 C ATOM 102 CD2 LEU A 6 3.343 -10.789 -4.138 1.00 0.00 C ATOM 0 H LEU A 6 2.891 -6.927 -3.025 1.00 0.00 H new ATOM 0 HA LEU A 6 4.867 -8.263 -4.641 1.00 0.00 H new ATOM 0 HB2 LEU A 6 1.850 -7.833 -4.922 1.00 0.00 H new ATOM 0 HB3 LEU A 6 2.796 -8.961 -5.873 1.00 0.00 H new ATOM 0 HG LEU A 6 2.747 -9.176 -2.868 1.00 0.00 H new ATOM 0 HD11 LEU A 6 0.872 -10.756 -3.037 1.00 0.00 H new ATOM 0 HD12 LEU A 6 0.404 -9.113 -3.537 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.705 -10.365 -4.765 1.00 0.00 H new ATOM 0 HD21 LEU A 6 3.164 -11.557 -3.386 1.00 0.00 H new ATOM 0 HD22 LEU A 6 3.096 -11.182 -5.124 1.00 0.00 H new ATOM 0 HD23 LEU A 6 4.393 -10.498 -4.116 1.00 0.00 H new ATOM 114 N CYS A 7 4.408 -5.397 -5.471 1.00 0.00 N ATOM 115 CA CYS A 7 4.574 -4.384 -6.498 1.00 0.00 C ATOM 116 C CYS A 7 6.048 -4.192 -6.851 1.00 0.00 C ATOM 117 O CYS A 7 6.369 -3.575 -7.859 1.00 0.00 O ATOM 118 CB CYS A 7 3.967 -3.058 -6.037 1.00 0.00 C ATOM 119 SG CYS A 7 3.925 -1.782 -7.314 1.00 0.00 S ATOM 0 H CYS A 7 4.504 -5.057 -4.514 1.00 0.00 H new ATOM 0 HA CYS A 7 4.052 -4.723 -7.393 1.00 0.00 H new ATOM 0 HB2 CYS A 7 2.951 -3.239 -5.686 1.00 0.00 H new ATOM 0 HB3 CYS A 7 4.537 -2.686 -5.186 1.00 0.00 H new ATOM 0 HG CYS A 7 4.269 -0.640 -6.797 1.00 0.00 H new ATOM 125 N LEU A 8 6.936 -4.752 -6.039 1.00 0.00 N ATOM 126 CA LEU A 8 8.358 -4.477 -6.155 1.00 0.00 C ATOM 127 C LEU A 8 8.969 -5.176 -7.362 1.00 0.00 C ATOM 128 O LEU A 8 8.647 -6.328 -7.660 1.00 0.00 O ATOM 129 CB LEU A 8 9.077 -4.912 -4.877 1.00 0.00 C ATOM 130 CG LEU A 8 8.536 -4.288 -3.588 1.00 0.00 C ATOM 131 CD1 LEU A 8 9.194 -4.918 -2.371 1.00 0.00 C ATOM 132 CD2 LEU A 8 8.755 -2.784 -3.592 1.00 0.00 C ATOM 0 H LEU A 8 6.693 -5.401 -5.291 1.00 0.00 H new ATOM 0 HA LEU A 8 8.482 -3.403 -6.296 1.00 0.00 H new ATOM 0 HB2 LEU A 8 9.013 -5.997 -4.793 1.00 0.00 H new ATOM 0 HB3 LEU A 8 10.134 -4.661 -4.969 1.00 0.00 H new ATOM 0 HG LEU A 8 7.464 -4.481 -3.537 1.00 0.00 H new ATOM 0 HD11 LEU A 8 8.796 -4.461 -1.465 1.00 0.00 H new ATOM 0 HD12 LEU A 8 8.987 -5.988 -2.359 1.00 0.00 H new ATOM 0 HD13 LEU A 8 10.271 -4.757 -2.416 1.00 0.00 H new ATOM 0 HD21 LEU A 8 8.364 -2.357 -2.668 1.00 0.00 H new ATOM 0 HD22 LEU A 8 9.821 -2.572 -3.667 1.00 0.00 H new ATOM 0 HD23 LEU A 8 8.236 -2.343 -4.443 1.00 0.00 H new ATOM 144 N SER A 9 9.872 -4.477 -8.039 1.00 0.00 N ATOM 145 CA SER A 9 10.589 -5.040 -9.177 1.00 0.00 C ATOM 146 C SER A 9 11.537 -6.135 -8.692 1.00 0.00 C ATOM 147 O SER A 9 11.951 -7.010 -9.455 1.00 0.00 O ATOM 148 CB SER A 9 11.369 -3.935 -9.900 1.00 0.00 C ATOM 149 OG SER A 9 11.915 -4.393 -11.127 1.00 0.00 O ATOM 0 H SER A 9 10.126 -3.514 -7.818 1.00 0.00 H new ATOM 0 HA SER A 9 9.876 -5.476 -9.877 1.00 0.00 H new ATOM 0 HB2 SER A 9 10.709 -3.088 -10.089 1.00 0.00 H new ATOM 0 HB3 SER A 9 12.172 -3.576 -9.256 1.00 0.00 H new ATOM 0 HG SER A 9 12.404 -3.662 -11.561 1.00 0.00 H new ATOM 155 N SER A 10 11.838 -6.097 -7.401 1.00 0.00 N ATOM 156 CA SER A 10 12.734 -7.065 -6.790 1.00 0.00 C ATOM 157 C SER A 10 11.928 -8.254 -6.278 1.00 0.00 C ATOM 158 O SER A 10 12.479 -9.283 -5.889 1.00 0.00 O ATOM 159 CB SER A 10 13.514 -6.401 -5.647 1.00 0.00 C ATOM 160 OG SER A 10 14.418 -7.305 -5.032 1.00 0.00 O ATOM 0 H SER A 10 11.471 -5.400 -6.754 1.00 0.00 H new ATOM 0 HA SER A 10 13.449 -7.423 -7.531 1.00 0.00 H new ATOM 0 HB2 SER A 10 14.064 -5.543 -6.033 1.00 0.00 H new ATOM 0 HB3 SER A 10 12.815 -6.022 -4.901 1.00 0.00 H new ATOM 0 HG SER A 10 14.090 -8.222 -5.144 1.00 0.00 H new ATOM 166 N GLU A 11 10.612 -8.101 -6.304 1.00 0.00 N ATOM 167 CA GLU A 11 9.705 -9.133 -5.832 1.00 0.00 C ATOM 168 C GLU A 11 9.359 -10.069 -6.994 1.00 0.00 C ATOM 169 O GLU A 11 9.031 -11.238 -6.800 1.00 0.00 O ATOM 170 CB GLU A 11 8.457 -8.464 -5.231 1.00 0.00 C ATOM 171 CG GLU A 11 7.615 -9.355 -4.326 1.00 0.00 C ATOM 172 CD GLU A 11 6.732 -10.304 -5.098 1.00 0.00 C ATOM 173 OE1 GLU A 11 5.983 -9.833 -5.979 1.00 0.00 O ATOM 174 OE2 GLU A 11 6.786 -11.526 -4.845 1.00 0.00 O ATOM 0 H GLU A 11 10.146 -7.262 -6.651 1.00 0.00 H new ATOM 0 HA GLU A 11 10.170 -9.735 -5.051 1.00 0.00 H new ATOM 0 HB2 GLU A 11 8.772 -7.589 -4.662 1.00 0.00 H new ATOM 0 HB3 GLU A 11 7.829 -8.105 -6.046 1.00 0.00 H new ATOM 0 HG2 GLU A 11 8.274 -9.928 -3.673 1.00 0.00 H new ATOM 0 HG3 GLU A 11 6.995 -8.730 -3.684 1.00 0.00 H new ATOM 181 N GLY A 12 9.482 -9.556 -8.215 1.00 0.00 N ATOM 182 CA GLY A 12 9.246 -10.375 -9.389 1.00 0.00 C ATOM 183 C GLY A 12 8.187 -9.801 -10.307 1.00 0.00 C ATOM 184 O GLY A 12 7.833 -10.413 -11.315 1.00 0.00 O ATOM 0 H GLY A 12 9.741 -8.589 -8.411 1.00 0.00 H new ATOM 0 HA2 GLY A 12 10.179 -10.484 -9.943 1.00 0.00 H new ATOM 0 HA3 GLY A 12 8.943 -11.374 -9.074 1.00 0.00 H new ATOM 188 N SER A 13 7.679 -8.629 -9.962 1.00 0.00 N ATOM 189 CA SER A 13 6.688 -7.965 -10.790 1.00 0.00 C ATOM 190 C SER A 13 7.349 -6.901 -11.663 1.00 0.00 C ATOM 191 O SER A 13 8.369 -6.323 -11.285 1.00 0.00 O ATOM 192 CB SER A 13 5.604 -7.346 -9.910 1.00 0.00 C ATOM 193 OG SER A 13 4.981 -8.341 -9.115 1.00 0.00 O ATOM 0 H SER A 13 7.936 -8.120 -9.116 1.00 0.00 H new ATOM 0 HA SER A 13 6.225 -8.702 -11.446 1.00 0.00 H new ATOM 0 HB2 SER A 13 6.041 -6.581 -9.269 1.00 0.00 H new ATOM 0 HB3 SER A 13 4.859 -6.852 -10.534 1.00 0.00 H new ATOM 0 HG SER A 13 4.775 -7.972 -8.231 1.00 0.00 H new ATOM 199 N GLU A 14 6.764 -6.652 -12.826 1.00 0.00 N ATOM 200 CA GLU A 14 7.315 -5.700 -13.779 1.00 0.00 C ATOM 201 C GLU A 14 6.227 -4.746 -14.265 1.00 0.00 C ATOM 202 O GLU A 14 5.051 -5.110 -14.319 1.00 0.00 O ATOM 203 CB GLU A 14 7.938 -6.444 -14.969 1.00 0.00 C ATOM 204 CG GLU A 14 8.606 -5.536 -15.991 1.00 0.00 C ATOM 205 CD GLU A 14 9.720 -4.705 -15.388 1.00 0.00 C ATOM 206 OE1 GLU A 14 9.432 -3.616 -14.852 1.00 0.00 O ATOM 207 OE2 GLU A 14 10.888 -5.144 -15.439 1.00 0.00 O ATOM 0 H GLU A 14 5.901 -7.100 -13.134 1.00 0.00 H new ATOM 0 HA GLU A 14 8.092 -5.118 -13.282 1.00 0.00 H new ATOM 0 HB2 GLU A 14 8.675 -7.154 -14.594 1.00 0.00 H new ATOM 0 HB3 GLU A 14 7.161 -7.024 -15.467 1.00 0.00 H new ATOM 0 HG2 GLU A 14 9.008 -6.142 -16.803 1.00 0.00 H new ATOM 0 HG3 GLU A 14 7.858 -4.874 -16.427 1.00 0.00 H new ATOM 214 N VAL A 15 6.620 -3.533 -14.613 1.00 0.00 N ATOM 215 CA VAL A 15 5.684 -2.542 -15.115 1.00 0.00 C ATOM 216 C VAL A 15 5.715 -2.517 -16.645 1.00 0.00 C ATOM 217 O VAL A 15 6.778 -2.578 -17.262 1.00 0.00 O ATOM 218 CB VAL A 15 5.978 -1.131 -14.539 1.00 0.00 C ATOM 219 CG1 VAL A 15 7.416 -0.719 -14.808 1.00 0.00 C ATOM 220 CG2 VAL A 15 5.009 -0.100 -15.099 1.00 0.00 C ATOM 0 H VAL A 15 7.586 -3.210 -14.557 1.00 0.00 H new ATOM 0 HA VAL A 15 4.685 -2.826 -14.784 1.00 0.00 H new ATOM 0 HB VAL A 15 5.837 -1.178 -13.459 1.00 0.00 H new ATOM 0 HG11 VAL A 15 7.594 0.273 -14.394 1.00 0.00 H new ATOM 0 HG12 VAL A 15 8.093 -1.434 -14.340 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.594 -0.700 -15.883 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.237 0.880 -14.679 1.00 0.00 H new ATOM 0 HG22 VAL A 15 5.106 -0.061 -16.184 1.00 0.00 H new ATOM 0 HG23 VAL A 15 3.989 -0.379 -14.836 1.00 0.00 H new ATOM 230 N ILE A 16 4.538 -2.459 -17.245 1.00 0.00 N ATOM 231 CA ILE A 16 4.398 -2.492 -18.688 1.00 0.00 C ATOM 232 C ILE A 16 3.392 -1.442 -19.147 1.00 0.00 C ATOM 233 O ILE A 16 2.330 -1.289 -18.540 1.00 0.00 O ATOM 234 CB ILE A 16 3.954 -3.899 -19.170 1.00 0.00 C ATOM 235 CG1 ILE A 16 3.661 -3.897 -20.674 1.00 0.00 C ATOM 236 CG2 ILE A 16 2.742 -4.386 -18.383 1.00 0.00 C ATOM 237 CD1 ILE A 16 3.177 -5.233 -21.204 1.00 0.00 C ATOM 0 H ILE A 16 3.653 -2.388 -16.743 1.00 0.00 H new ATOM 0 HA ILE A 16 5.370 -2.269 -19.127 1.00 0.00 H new ATOM 0 HB ILE A 16 4.777 -4.591 -18.988 1.00 0.00 H new ATOM 0 HG12 ILE A 16 2.909 -3.138 -20.887 1.00 0.00 H new ATOM 0 HG13 ILE A 16 4.565 -3.609 -21.211 1.00 0.00 H new ATOM 0 HG21 ILE A 16 2.450 -5.374 -18.739 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.994 -4.442 -17.324 1.00 0.00 H new ATOM 0 HG23 ILE A 16 1.914 -3.691 -18.522 1.00 0.00 H new ATOM 0 HD11 ILE A 16 2.991 -5.154 -22.275 1.00 0.00 H new ATOM 0 HD12 ILE A 16 3.937 -5.993 -21.023 1.00 0.00 H new ATOM 0 HD13 ILE A 16 2.255 -5.514 -20.695 1.00 0.00 H new ATOM 249 N LEU A 17 3.757 -0.704 -20.199 1.00 0.00 N ATOM 250 CA LEU A 17 2.872 0.281 -20.822 1.00 0.00 C ATOM 251 C LEU A 17 2.651 1.481 -19.899 1.00 0.00 C ATOM 252 O LEU A 17 1.856 1.422 -18.964 1.00 0.00 O ATOM 253 CB LEU A 17 1.529 -0.378 -21.199 1.00 0.00 C ATOM 254 CG LEU A 17 0.702 0.316 -22.293 1.00 0.00 C ATOM 255 CD1 LEU A 17 -0.461 -0.574 -22.702 1.00 0.00 C ATOM 256 CD2 LEU A 17 0.175 1.667 -21.827 1.00 0.00 C ATOM 0 H LEU A 17 4.673 -0.773 -20.641 1.00 0.00 H new ATOM 0 HA LEU A 17 3.348 0.647 -21.732 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.730 -1.400 -21.521 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.917 -0.442 -20.299 1.00 0.00 H new ATOM 0 HG LEU A 17 1.356 0.487 -23.148 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.044 -0.077 -23.478 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.078 -1.520 -23.085 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.096 -0.764 -21.837 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.405 2.127 -22.627 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.461 1.528 -20.953 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.013 2.314 -21.567 1.00 0.00 H new ATOM 268 N ALA A 18 3.376 2.558 -20.157 1.00 0.00 N ATOM 269 CA ALA A 18 3.192 3.799 -19.420 1.00 0.00 C ATOM 270 C ALA A 18 2.981 4.962 -20.384 1.00 0.00 C ATOM 271 O ALA A 18 3.844 5.259 -21.209 1.00 0.00 O ATOM 272 CB ALA A 18 4.383 4.062 -18.511 1.00 0.00 C ATOM 0 H ALA A 18 4.100 2.598 -20.874 1.00 0.00 H new ATOM 0 HA ALA A 18 2.303 3.704 -18.796 1.00 0.00 H new ATOM 0 HB1 ALA A 18 4.227 4.994 -17.968 1.00 0.00 H new ATOM 0 HB2 ALA A 18 4.487 3.242 -17.801 1.00 0.00 H new ATOM 0 HB3 ALA A 18 5.289 4.139 -19.112 1.00 0.00 H new ATOM 278 N THR A 19 1.822 5.604 -20.277 1.00 0.00 N ATOM 279 CA THR A 19 1.453 6.706 -21.164 1.00 0.00 C ATOM 280 C THR A 19 2.482 7.841 -21.130 1.00 0.00 C ATOM 281 O THR A 19 3.031 8.227 -22.163 1.00 0.00 O ATOM 282 CB THR A 19 0.069 7.267 -20.782 1.00 0.00 C ATOM 283 OG1 THR A 19 -0.868 6.192 -20.635 1.00 0.00 O ATOM 284 CG2 THR A 19 -0.436 8.242 -21.838 1.00 0.00 C ATOM 0 H THR A 19 1.115 5.378 -19.578 1.00 0.00 H new ATOM 0 HA THR A 19 1.423 6.301 -22.176 1.00 0.00 H new ATOM 0 HB THR A 19 0.167 7.801 -19.837 1.00 0.00 H new ATOM 0 HG1 THR A 19 -1.516 6.220 -21.370 1.00 0.00 H new ATOM 0 HG21 THR A 19 -1.414 8.623 -21.544 1.00 0.00 H new ATOM 0 HG22 THR A 19 0.264 9.073 -21.931 1.00 0.00 H new ATOM 0 HG23 THR A 19 -0.520 7.729 -22.796 1.00 0.00 H new ATOM 292 N SER A 20 2.734 8.378 -19.946 1.00 0.00 N ATOM 293 CA SER A 20 3.682 9.468 -19.796 1.00 0.00 C ATOM 294 C SER A 20 5.037 8.939 -19.343 1.00 0.00 C ATOM 295 O SER A 20 5.111 7.979 -18.576 1.00 0.00 O ATOM 296 CB SER A 20 3.152 10.493 -18.794 1.00 0.00 C ATOM 297 OG SER A 20 1.898 11.004 -19.212 1.00 0.00 O ATOM 0 H SER A 20 2.295 8.076 -19.076 1.00 0.00 H new ATOM 0 HA SER A 20 3.807 9.954 -20.763 1.00 0.00 H new ATOM 0 HB2 SER A 20 3.052 10.030 -17.812 1.00 0.00 H new ATOM 0 HB3 SER A 20 3.866 11.310 -18.690 1.00 0.00 H new ATOM 0 HG SER A 20 2.002 11.463 -20.071 1.00 0.00 H new ATOM 303 N SER A 21 6.104 9.559 -19.822 1.00 0.00 N ATOM 304 CA SER A 21 7.444 9.143 -19.456 1.00 0.00 C ATOM 305 C SER A 21 8.438 10.275 -19.669 1.00 0.00 C ATOM 306 O SER A 21 8.451 10.919 -20.720 1.00 0.00 O ATOM 307 CB SER A 21 7.866 7.917 -20.275 1.00 0.00 C ATOM 308 OG SER A 21 9.155 7.454 -19.892 1.00 0.00 O ATOM 0 H SER A 21 6.066 10.351 -20.464 1.00 0.00 H new ATOM 0 HA SER A 21 7.439 8.879 -18.399 1.00 0.00 H new ATOM 0 HB2 SER A 21 7.136 7.119 -20.140 1.00 0.00 H new ATOM 0 HB3 SER A 21 7.869 8.170 -21.335 1.00 0.00 H new ATOM 0 HG SER A 21 9.395 6.671 -20.431 1.00 0.00 H new ATOM 314 N ASP A 22 9.251 10.519 -18.658 1.00 0.00 N ATOM 315 CA ASP A 22 10.357 11.453 -18.771 1.00 0.00 C ATOM 316 C ASP A 22 11.634 10.644 -18.958 1.00 0.00 C ATOM 317 O ASP A 22 11.690 9.481 -18.561 1.00 0.00 O ATOM 318 CB ASP A 22 10.443 12.326 -17.515 1.00 0.00 C ATOM 319 CG ASP A 22 11.427 13.475 -17.644 1.00 0.00 C ATOM 320 OD1 ASP A 22 12.644 13.231 -17.591 1.00 0.00 O ATOM 321 OD2 ASP A 22 10.976 14.637 -17.771 1.00 0.00 O ATOM 0 H ASP A 22 9.165 10.079 -17.742 1.00 0.00 H new ATOM 0 HA ASP A 22 10.211 12.117 -19.623 1.00 0.00 H new ATOM 0 HB2 ASP A 22 9.454 12.728 -17.293 1.00 0.00 H new ATOM 0 HB3 ASP A 22 10.732 11.703 -16.668 1.00 0.00 H new ATOM 326 N GLU A 23 12.645 11.235 -19.565 1.00 0.00 N ATOM 327 CA GLU A 23 13.881 10.514 -19.839 1.00 0.00 C ATOM 328 C GLU A 23 14.745 10.419 -18.585 1.00 0.00 C ATOM 329 O GLU A 23 15.589 9.530 -18.467 1.00 0.00 O ATOM 330 CB GLU A 23 14.669 11.179 -20.973 1.00 0.00 C ATOM 331 CG GLU A 23 13.922 11.249 -22.301 1.00 0.00 C ATOM 332 CD GLU A 23 12.858 12.329 -22.326 1.00 0.00 C ATOM 333 OE1 GLU A 23 13.223 13.515 -22.456 1.00 0.00 O ATOM 334 OE2 GLU A 23 11.662 12.003 -22.207 1.00 0.00 O ATOM 0 H GLU A 23 12.639 12.206 -19.878 1.00 0.00 H new ATOM 0 HA GLU A 23 13.611 9.506 -20.153 1.00 0.00 H new ATOM 0 HB2 GLU A 23 14.939 12.190 -20.668 1.00 0.00 H new ATOM 0 HB3 GLU A 23 15.600 10.632 -21.122 1.00 0.00 H new ATOM 0 HG2 GLU A 23 14.636 11.432 -23.104 1.00 0.00 H new ATOM 0 HG3 GLU A 23 13.457 10.284 -22.501 1.00 0.00 H new ATOM 341 N LYS A 24 14.536 11.338 -17.650 1.00 0.00 N ATOM 342 CA LYS A 24 15.231 11.288 -16.373 1.00 0.00 C ATOM 343 C LYS A 24 14.271 10.860 -15.272 1.00 0.00 C ATOM 344 O LYS A 24 14.655 10.719 -14.109 1.00 0.00 O ATOM 345 CB LYS A 24 15.871 12.638 -16.044 1.00 0.00 C ATOM 346 CG LYS A 24 17.000 13.009 -16.993 1.00 0.00 C ATOM 347 CD LYS A 24 17.754 14.240 -16.523 1.00 0.00 C ATOM 348 CE LYS A 24 16.882 15.484 -16.546 1.00 0.00 C ATOM 349 NZ LYS A 24 17.613 16.668 -16.030 1.00 0.00 N ATOM 0 H LYS A 24 13.893 12.123 -17.753 1.00 0.00 H new ATOM 0 HA LYS A 24 16.031 10.551 -16.443 1.00 0.00 H new ATOM 0 HB2 LYS A 24 15.106 13.414 -16.078 1.00 0.00 H new ATOM 0 HB3 LYS A 24 16.255 12.613 -15.024 1.00 0.00 H new ATOM 0 HG2 LYS A 24 17.692 12.171 -17.080 1.00 0.00 H new ATOM 0 HG3 LYS A 24 16.593 13.190 -17.988 1.00 0.00 H new ATOM 0 HD2 LYS A 24 18.123 14.075 -15.511 1.00 0.00 H new ATOM 0 HD3 LYS A 24 18.626 14.396 -17.159 1.00 0.00 H new ATOM 0 HE2 LYS A 24 16.548 15.677 -17.565 1.00 0.00 H new ATOM 0 HE3 LYS A 24 15.989 15.315 -15.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 16.990 17.500 -16.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 17.910 16.492 -15.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 18.452 16.842 -16.620 1.00 0.00 H new ATOM 363 N HIS A 25 13.015 10.668 -15.651 1.00 0.00 N ATOM 364 CA HIS A 25 12.012 10.096 -14.760 1.00 0.00 C ATOM 365 C HIS A 25 11.331 8.928 -15.463 1.00 0.00 C ATOM 366 O HIS A 25 10.219 9.063 -15.979 1.00 0.00 O ATOM 367 CB HIS A 25 10.960 11.134 -14.346 1.00 0.00 C ATOM 368 CG HIS A 25 11.508 12.321 -13.615 1.00 0.00 C ATOM 369 ND1 HIS A 25 11.136 13.618 -13.896 1.00 0.00 N ATOM 370 CD2 HIS A 25 12.401 12.403 -12.601 1.00 0.00 C ATOM 371 CE1 HIS A 25 11.776 14.441 -13.089 1.00 0.00 C ATOM 372 NE2 HIS A 25 12.551 13.731 -12.292 1.00 0.00 N ATOM 0 H HIS A 25 12.663 10.902 -16.579 1.00 0.00 H new ATOM 0 HA HIS A 25 12.514 9.755 -13.854 1.00 0.00 H new ATOM 0 HB2 HIS A 25 10.441 11.482 -15.239 1.00 0.00 H new ATOM 0 HB3 HIS A 25 10.217 10.647 -13.715 1.00 0.00 H new ATOM 0 HD2 HIS A 25 12.903 11.575 -12.123 1.00 0.00 H new ATOM 0 HE1 HIS A 25 11.682 15.517 -13.082 1.00 0.00 H new ATOM 0 HE2 HIS A 25 13.161 14.107 -11.566 1.00 0.00 H new ATOM 380 N PRO A 26 12.009 7.773 -15.532 1.00 0.00 N ATOM 381 CA PRO A 26 11.518 6.617 -16.261 1.00 0.00 C ATOM 382 C PRO A 26 10.629 5.715 -15.402 1.00 0.00 C ATOM 383 O PRO A 26 10.932 5.440 -14.237 1.00 0.00 O ATOM 384 CB PRO A 26 12.807 5.912 -16.682 1.00 0.00 C ATOM 385 CG PRO A 26 13.848 6.315 -15.680 1.00 0.00 C ATOM 386 CD PRO A 26 13.308 7.495 -14.903 1.00 0.00 C ATOM 0 HA PRO A 26 10.878 6.888 -17.101 1.00 0.00 H new ATOM 0 HB2 PRO A 26 12.674 4.830 -16.692 1.00 0.00 H new ATOM 0 HB3 PRO A 26 13.101 6.206 -17.689 1.00 0.00 H new ATOM 0 HG2 PRO A 26 14.073 5.486 -15.009 1.00 0.00 H new ATOM 0 HG3 PRO A 26 14.778 6.581 -16.182 1.00 0.00 H new ATOM 0 HD2 PRO A 26 13.196 7.258 -13.845 1.00 0.00 H new ATOM 0 HD3 PRO A 26 13.975 8.355 -14.969 1.00 0.00 H new ATOM 394 N PRO A 27 9.519 5.237 -15.985 1.00 0.00 N ATOM 395 CA PRO A 27 8.479 4.501 -15.259 1.00 0.00 C ATOM 396 C PRO A 27 8.929 3.129 -14.766 1.00 0.00 C ATOM 397 O PRO A 27 8.310 2.558 -13.879 1.00 0.00 O ATOM 398 CB PRO A 27 7.352 4.341 -16.291 1.00 0.00 C ATOM 399 CG PRO A 27 7.688 5.283 -17.396 1.00 0.00 C ATOM 400 CD PRO A 27 9.182 5.380 -17.405 1.00 0.00 C ATOM 0 HA PRO A 27 8.189 5.038 -14.356 1.00 0.00 H new ATOM 0 HB2 PRO A 27 7.295 3.315 -16.654 1.00 0.00 H new ATOM 0 HB3 PRO A 27 6.382 4.579 -15.854 1.00 0.00 H new ATOM 0 HG2 PRO A 27 7.314 4.915 -18.351 1.00 0.00 H new ATOM 0 HG3 PRO A 27 7.233 6.260 -17.230 1.00 0.00 H new ATOM 0 HD2 PRO A 27 9.636 4.595 -18.011 1.00 0.00 H new ATOM 0 HD3 PRO A 27 9.524 6.333 -17.809 1.00 0.00 H new ATOM 408 N GLU A 28 10.011 2.606 -15.319 1.00 0.00 N ATOM 409 CA GLU A 28 10.465 1.262 -14.964 1.00 0.00 C ATOM 410 C GLU A 28 10.929 1.187 -13.505 1.00 0.00 C ATOM 411 O GLU A 28 11.091 0.098 -12.954 1.00 0.00 O ATOM 412 CB GLU A 28 11.590 0.796 -15.896 1.00 0.00 C ATOM 413 CG GLU A 28 11.169 0.596 -17.348 1.00 0.00 C ATOM 414 CD GLU A 28 10.779 1.889 -18.035 1.00 0.00 C ATOM 415 OE1 GLU A 28 11.407 2.930 -17.743 1.00 0.00 O ATOM 416 OE2 GLU A 28 9.838 1.874 -18.859 1.00 0.00 O ATOM 0 H GLU A 28 10.590 3.083 -16.010 1.00 0.00 H new ATOM 0 HA GLU A 28 9.611 0.596 -15.083 1.00 0.00 H new ATOM 0 HB2 GLU A 28 12.398 1.527 -15.863 1.00 0.00 H new ATOM 0 HB3 GLU A 28 11.994 -0.142 -15.516 1.00 0.00 H new ATOM 0 HG2 GLU A 28 11.988 0.132 -17.897 1.00 0.00 H new ATOM 0 HG3 GLU A 28 10.328 -0.096 -17.385 1.00 0.00 H new ATOM 423 N ASN A 29 11.142 2.340 -12.879 1.00 0.00 N ATOM 424 CA ASN A 29 11.587 2.376 -11.487 1.00 0.00 C ATOM 425 C ASN A 29 10.418 2.581 -10.524 1.00 0.00 C ATOM 426 O ASN A 29 10.608 2.572 -9.305 1.00 0.00 O ATOM 427 CB ASN A 29 12.627 3.480 -11.271 1.00 0.00 C ATOM 428 CG ASN A 29 13.903 3.252 -12.060 1.00 0.00 C ATOM 429 OD1 ASN A 29 14.247 2.118 -12.396 1.00 0.00 O ATOM 430 ND2 ASN A 29 14.626 4.327 -12.335 1.00 0.00 N ATOM 0 H ASN A 29 11.015 3.257 -13.308 1.00 0.00 H new ATOM 0 HA ASN A 29 12.042 1.408 -11.276 1.00 0.00 H new ATOM 0 HB2 ASN A 29 12.196 4.439 -11.557 1.00 0.00 H new ATOM 0 HB3 ASN A 29 12.868 3.542 -10.210 1.00 0.00 H new ATOM 0 HD21 ASN A 29 15.505 4.234 -12.844 1.00 0.00 H new ATOM 0 HD22 ASN A 29 14.304 5.248 -12.038 1.00 0.00 H new ATOM 437 N ILE A 30 9.214 2.748 -11.071 1.00 0.00 N ATOM 438 CA ILE A 30 8.032 3.062 -10.261 1.00 0.00 C ATOM 439 C ILE A 30 7.716 1.941 -9.271 1.00 0.00 C ATOM 440 O ILE A 30 7.300 2.190 -8.143 1.00 0.00 O ATOM 441 CB ILE A 30 6.785 3.323 -11.152 1.00 0.00 C ATOM 442 CG1 ILE A 30 5.636 3.910 -10.328 1.00 0.00 C ATOM 443 CG2 ILE A 30 6.319 2.045 -11.845 1.00 0.00 C ATOM 444 CD1 ILE A 30 4.366 4.107 -11.129 1.00 0.00 C ATOM 0 H ILE A 30 9.029 2.672 -12.071 1.00 0.00 H new ATOM 0 HA ILE A 30 8.268 3.969 -9.705 1.00 0.00 H new ATOM 0 HB ILE A 30 7.079 4.044 -11.915 1.00 0.00 H new ATOM 0 HG12 ILE A 30 5.428 3.250 -9.486 1.00 0.00 H new ATOM 0 HG13 ILE A 30 5.948 4.868 -9.913 1.00 0.00 H new ATOM 0 HG21 ILE A 30 5.446 2.262 -12.460 1.00 0.00 H new ATOM 0 HG22 ILE A 30 7.120 1.660 -12.476 1.00 0.00 H new ATOM 0 HG23 ILE A 30 6.058 1.299 -11.095 1.00 0.00 H new ATOM 0 HD11 ILE A 30 3.592 4.526 -10.486 1.00 0.00 H new ATOM 0 HD12 ILE A 30 4.560 4.790 -11.956 1.00 0.00 H new ATOM 0 HD13 ILE A 30 4.031 3.147 -11.522 1.00 0.00 H new ATOM 456 N ILE A 31 7.949 0.709 -9.694 1.00 0.00 N ATOM 457 CA ILE A 31 7.538 -0.454 -8.924 1.00 0.00 C ATOM 458 C ILE A 31 8.595 -0.881 -7.913 1.00 0.00 C ATOM 459 O ILE A 31 8.302 -1.605 -6.968 1.00 0.00 O ATOM 460 CB ILE A 31 7.229 -1.640 -9.852 1.00 0.00 C ATOM 461 CG1 ILE A 31 8.414 -1.905 -10.782 1.00 0.00 C ATOM 462 CG2 ILE A 31 5.961 -1.376 -10.651 1.00 0.00 C ATOM 463 CD1 ILE A 31 8.218 -3.102 -11.680 1.00 0.00 C ATOM 0 H ILE A 31 8.423 0.488 -10.570 1.00 0.00 H new ATOM 0 HA ILE A 31 6.640 -0.162 -8.380 1.00 0.00 H new ATOM 0 HB ILE A 31 7.065 -2.529 -9.242 1.00 0.00 H new ATOM 0 HG12 ILE A 31 8.586 -1.023 -11.398 1.00 0.00 H new ATOM 0 HG13 ILE A 31 9.311 -2.054 -10.181 1.00 0.00 H new ATOM 0 HG21 ILE A 31 5.758 -2.226 -11.302 1.00 0.00 H new ATOM 0 HG22 ILE A 31 5.124 -1.234 -9.968 1.00 0.00 H new ATOM 0 HG23 ILE A 31 6.092 -0.479 -11.256 1.00 0.00 H new ATOM 0 HD11 ILE A 31 9.097 -3.230 -12.312 1.00 0.00 H new ATOM 0 HD12 ILE A 31 8.076 -3.995 -11.071 1.00 0.00 H new ATOM 0 HD13 ILE A 31 7.340 -2.947 -12.307 1.00 0.00 H new ATOM 475 N ASP A 32 9.825 -0.436 -8.105 1.00 0.00 N ATOM 476 CA ASP A 32 10.914 -0.871 -7.243 1.00 0.00 C ATOM 477 C ASP A 32 11.052 0.061 -6.043 1.00 0.00 C ATOM 478 O ASP A 32 11.697 -0.274 -5.050 1.00 0.00 O ATOM 479 CB ASP A 32 12.224 -0.942 -8.026 1.00 0.00 C ATOM 480 CG ASP A 32 13.285 -1.757 -7.308 1.00 0.00 C ATOM 481 OD1 ASP A 32 13.086 -2.983 -7.153 1.00 0.00 O ATOM 482 OD2 ASP A 32 14.317 -1.180 -6.912 1.00 0.00 O ATOM 0 H ASP A 32 10.094 0.218 -8.840 1.00 0.00 H new ATOM 0 HA ASP A 32 10.683 -1.870 -6.875 1.00 0.00 H new ATOM 0 HB2 ASP A 32 12.035 -1.380 -9.006 1.00 0.00 H new ATOM 0 HB3 ASP A 32 12.598 0.068 -8.195 1.00 0.00 H new ATOM 487 N GLY A 33 10.425 1.228 -6.141 1.00 0.00 N ATOM 488 CA GLY A 33 10.423 2.166 -5.036 1.00 0.00 C ATOM 489 C GLY A 33 11.751 2.874 -4.853 1.00 0.00 C ATOM 490 O GLY A 33 12.321 2.872 -3.760 1.00 0.00 O ATOM 0 H GLY A 33 9.917 1.541 -6.968 1.00 0.00 H new ATOM 0 HA2 GLY A 33 9.642 2.909 -5.199 1.00 0.00 H new ATOM 0 HA3 GLY A 33 10.172 1.635 -4.118 1.00 0.00 H new ATOM 494 N ASN A 34 12.253 3.476 -5.921 1.00 0.00 N ATOM 495 CA ASN A 34 13.497 4.229 -5.848 1.00 0.00 C ATOM 496 C ASN A 34 13.202 5.720 -5.830 1.00 0.00 C ATOM 497 O ASN A 34 12.727 6.279 -6.817 1.00 0.00 O ATOM 498 CB ASN A 34 14.416 3.883 -7.024 1.00 0.00 C ATOM 499 CG ASN A 34 15.006 2.492 -6.904 1.00 0.00 C ATOM 500 OD1 ASN A 34 16.081 2.308 -6.333 1.00 0.00 O ATOM 501 ND2 ASN A 34 14.311 1.506 -7.444 1.00 0.00 N ATOM 0 H ASN A 34 11.821 3.458 -6.845 1.00 0.00 H new ATOM 0 HA ASN A 34 14.010 3.957 -4.926 1.00 0.00 H new ATOM 0 HB2 ASN A 34 13.854 3.958 -7.955 1.00 0.00 H new ATOM 0 HB3 ASN A 34 15.223 4.614 -7.079 1.00 0.00 H new ATOM 0 HD21 ASN A 34 14.661 0.549 -7.396 1.00 0.00 H new ATOM 0 HD22 ASN A 34 13.424 1.702 -7.908 1.00 0.00 H new ATOM 508 N PRO A 35 13.487 6.382 -4.698 1.00 0.00 N ATOM 509 CA PRO A 35 13.189 7.806 -4.499 1.00 0.00 C ATOM 510 C PRO A 35 14.008 8.718 -5.406 1.00 0.00 C ATOM 511 O PRO A 35 13.672 9.892 -5.581 1.00 0.00 O ATOM 512 CB PRO A 35 13.554 8.056 -3.028 1.00 0.00 C ATOM 513 CG PRO A 35 13.665 6.704 -2.410 1.00 0.00 C ATOM 514 CD PRO A 35 14.109 5.785 -3.507 1.00 0.00 C ATOM 0 HA PRO A 35 12.150 8.028 -4.741 1.00 0.00 H new ATOM 0 HB2 PRO A 35 14.492 8.604 -2.944 1.00 0.00 H new ATOM 0 HB3 PRO A 35 12.790 8.654 -2.530 1.00 0.00 H new ATOM 0 HG2 PRO A 35 14.382 6.708 -1.589 1.00 0.00 H new ATOM 0 HG3 PRO A 35 12.709 6.384 -1.996 1.00 0.00 H new ATOM 0 HD2 PRO A 35 15.195 5.750 -3.592 1.00 0.00 H new ATOM 0 HD3 PRO A 35 13.769 4.763 -3.342 1.00 0.00 H new ATOM 522 N GLU A 36 15.082 8.179 -5.972 1.00 0.00 N ATOM 523 CA GLU A 36 15.938 8.936 -6.876 1.00 0.00 C ATOM 524 C GLU A 36 15.142 9.422 -8.085 1.00 0.00 C ATOM 525 O GLU A 36 15.192 10.599 -8.448 1.00 0.00 O ATOM 526 CB GLU A 36 17.118 8.076 -7.336 1.00 0.00 C ATOM 527 CG GLU A 36 18.150 8.844 -8.143 1.00 0.00 C ATOM 528 CD GLU A 36 18.758 9.989 -7.359 1.00 0.00 C ATOM 529 OE1 GLU A 36 19.728 9.754 -6.609 1.00 0.00 O ATOM 530 OE2 GLU A 36 18.274 11.131 -7.495 1.00 0.00 O ATOM 0 H GLU A 36 15.381 7.216 -5.819 1.00 0.00 H new ATOM 0 HA GLU A 36 16.322 9.804 -6.340 1.00 0.00 H new ATOM 0 HB2 GLU A 36 17.603 7.641 -6.462 1.00 0.00 H new ATOM 0 HB3 GLU A 36 16.741 7.248 -7.937 1.00 0.00 H new ATOM 0 HG2 GLU A 36 18.940 8.163 -8.459 1.00 0.00 H new ATOM 0 HG3 GLU A 36 17.684 9.234 -9.048 1.00 0.00 H new ATOM 537 N THR A 37 14.398 8.515 -8.700 1.00 0.00 N ATOM 538 CA THR A 37 13.591 8.858 -9.854 1.00 0.00 C ATOM 539 C THR A 37 12.112 8.667 -9.547 1.00 0.00 C ATOM 540 O THR A 37 11.659 7.547 -9.308 1.00 0.00 O ATOM 541 CB THR A 37 13.972 7.996 -11.077 1.00 0.00 C ATOM 542 OG1 THR A 37 13.866 6.604 -10.748 1.00 0.00 O ATOM 543 CG2 THR A 37 15.389 8.301 -11.542 1.00 0.00 C ATOM 0 H THR A 37 14.338 7.537 -8.417 1.00 0.00 H new ATOM 0 HA THR A 37 13.782 9.905 -10.088 1.00 0.00 H new ATOM 0 HB THR A 37 13.282 8.235 -11.886 1.00 0.00 H new ATOM 0 HG1 THR A 37 13.060 6.455 -10.211 1.00 0.00 H new ATOM 0 HG21 THR A 37 15.631 7.680 -12.404 1.00 0.00 H new ATOM 0 HG22 THR A 37 15.462 9.352 -11.820 1.00 0.00 H new ATOM 0 HG23 THR A 37 16.090 8.090 -10.735 1.00 0.00 H new ATOM 551 N PHE A 38 11.364 9.758 -9.558 1.00 0.00 N ATOM 552 CA PHE A 38 9.933 9.699 -9.311 1.00 0.00 C ATOM 553 C PHE A 38 9.173 9.876 -10.617 1.00 0.00 C ATOM 554 O PHE A 38 9.592 10.645 -11.486 1.00 0.00 O ATOM 555 CB PHE A 38 9.512 10.767 -8.288 1.00 0.00 C ATOM 556 CG PHE A 38 9.796 12.186 -8.713 1.00 0.00 C ATOM 557 CD1 PHE A 38 11.050 12.746 -8.521 1.00 0.00 C ATOM 558 CD2 PHE A 38 8.804 12.959 -9.297 1.00 0.00 C ATOM 559 CE1 PHE A 38 11.308 14.048 -8.904 1.00 0.00 C ATOM 560 CE2 PHE A 38 9.058 14.262 -9.683 1.00 0.00 C ATOM 561 CZ PHE A 38 10.311 14.806 -9.486 1.00 0.00 C ATOM 0 H PHE A 38 11.724 10.696 -9.735 1.00 0.00 H new ATOM 0 HA PHE A 38 9.690 8.721 -8.894 1.00 0.00 H new ATOM 0 HB2 PHE A 38 8.444 10.666 -8.095 1.00 0.00 H new ATOM 0 HB3 PHE A 38 10.026 10.573 -7.347 1.00 0.00 H new ATOM 0 HD1 PHE A 38 11.834 12.158 -8.067 1.00 0.00 H new ATOM 0 HD2 PHE A 38 7.821 12.538 -9.452 1.00 0.00 H new ATOM 0 HE1 PHE A 38 12.289 14.473 -8.748 1.00 0.00 H new ATOM 0 HE2 PHE A 38 8.277 14.853 -10.138 1.00 0.00 H new ATOM 0 HZ PHE A 38 10.512 15.824 -9.787 1.00 0.00 H new ATOM 571 N TRP A 39 8.075 9.156 -10.761 1.00 0.00 N ATOM 572 CA TRP A 39 7.263 9.240 -11.963 1.00 0.00 C ATOM 573 C TRP A 39 6.112 10.212 -11.745 1.00 0.00 C ATOM 574 O TRP A 39 5.232 9.975 -10.916 1.00 0.00 O ATOM 575 CB TRP A 39 6.727 7.854 -12.343 1.00 0.00 C ATOM 576 CG TRP A 39 6.000 7.823 -13.656 1.00 0.00 C ATOM 577 CD1 TRP A 39 6.562 7.823 -14.899 1.00 0.00 C ATOM 578 CD2 TRP A 39 4.582 7.777 -13.858 1.00 0.00 C ATOM 579 NE1 TRP A 39 5.581 7.777 -15.860 1.00 0.00 N ATOM 580 CE2 TRP A 39 4.359 7.750 -15.247 1.00 0.00 C ATOM 581 CE3 TRP A 39 3.479 7.756 -13.001 1.00 0.00 C ATOM 582 CZ2 TRP A 39 3.080 7.705 -15.797 1.00 0.00 C ATOM 583 CZ3 TRP A 39 2.211 7.709 -13.547 1.00 0.00 C ATOM 584 CH2 TRP A 39 2.020 7.684 -14.935 1.00 0.00 C ATOM 0 H TRP A 39 7.724 8.505 -10.059 1.00 0.00 H new ATOM 0 HA TRP A 39 7.882 9.606 -12.782 1.00 0.00 H new ATOM 0 HB2 TRP A 39 7.559 7.152 -12.383 1.00 0.00 H new ATOM 0 HB3 TRP A 39 6.055 7.507 -11.558 1.00 0.00 H new ATOM 0 HD1 TRP A 39 7.623 7.855 -15.099 1.00 0.00 H new ATOM 0 HE1 TRP A 39 5.739 7.765 -16.868 1.00 0.00 H new ATOM 0 HE3 TRP A 39 3.615 7.776 -11.930 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 2.931 7.687 -16.867 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 1.352 7.691 -12.893 1.00 0.00 H new ATOM 0 HH2 TRP A 39 1.016 7.647 -15.331 1.00 0.00 H new ATOM 595 N THR A 40 6.140 11.318 -12.467 1.00 0.00 N ATOM 596 CA THR A 40 5.081 12.303 -12.381 1.00 0.00 C ATOM 597 C THR A 40 4.530 12.591 -13.773 1.00 0.00 C ATOM 598 O THR A 40 5.280 12.671 -14.752 1.00 0.00 O ATOM 599 CB THR A 40 5.566 13.606 -11.700 1.00 0.00 C ATOM 600 OG1 THR A 40 4.460 14.489 -11.475 1.00 0.00 O ATOM 601 CG2 THR A 40 6.624 14.315 -12.535 1.00 0.00 C ATOM 0 H THR A 40 6.887 11.555 -13.120 1.00 0.00 H new ATOM 0 HA THR A 40 4.284 11.894 -11.760 1.00 0.00 H new ATOM 0 HB THR A 40 6.014 13.330 -10.745 1.00 0.00 H new ATOM 0 HG1 THR A 40 4.120 14.362 -10.565 1.00 0.00 H new ATOM 0 HG21 THR A 40 6.940 15.225 -12.025 1.00 0.00 H new ATOM 0 HG22 THR A 40 7.483 13.657 -12.669 1.00 0.00 H new ATOM 0 HG23 THR A 40 6.207 14.571 -13.509 1.00 0.00 H new ATOM 609 N THR A 41 3.221 12.712 -13.861 1.00 0.00 N ATOM 610 CA THR A 41 2.561 12.901 -15.134 1.00 0.00 C ATOM 611 C THR A 41 2.533 14.374 -15.529 1.00 0.00 C ATOM 612 O THR A 41 2.177 15.240 -14.730 1.00 0.00 O ATOM 613 CB THR A 41 1.139 12.322 -15.081 1.00 0.00 C ATOM 614 OG1 THR A 41 1.215 10.948 -14.685 1.00 0.00 O ATOM 615 CG2 THR A 41 0.445 12.424 -16.429 1.00 0.00 C ATOM 0 H THR A 41 2.591 12.682 -13.060 1.00 0.00 H new ATOM 0 HA THR A 41 3.128 12.368 -15.897 1.00 0.00 H new ATOM 0 HB THR A 41 0.557 12.897 -14.361 1.00 0.00 H new ATOM 0 HG1 THR A 41 0.438 10.724 -14.131 1.00 0.00 H new ATOM 0 HG21 THR A 41 -0.558 12.005 -16.354 1.00 0.00 H new ATOM 0 HG22 THR A 41 0.380 13.471 -16.726 1.00 0.00 H new ATOM 0 HG23 THR A 41 1.015 11.870 -17.175 1.00 0.00 H new ATOM 623 N THR A 42 2.905 14.639 -16.776 1.00 0.00 N ATOM 624 CA THR A 42 3.037 15.996 -17.291 1.00 0.00 C ATOM 625 C THR A 42 1.682 16.622 -17.631 1.00 0.00 C ATOM 626 O THR A 42 1.616 17.708 -18.211 1.00 0.00 O ATOM 627 CB THR A 42 3.928 15.990 -18.546 1.00 0.00 C ATOM 628 OG1 THR A 42 3.529 14.908 -19.400 1.00 0.00 O ATOM 629 CG2 THR A 42 5.398 15.837 -18.174 1.00 0.00 C ATOM 0 H THR A 42 3.124 13.916 -17.461 1.00 0.00 H new ATOM 0 HA THR A 42 3.492 16.600 -16.506 1.00 0.00 H new ATOM 0 HB THR A 42 3.808 16.941 -19.065 1.00 0.00 H new ATOM 0 HG1 THR A 42 4.092 14.900 -20.202 1.00 0.00 H new ATOM 0 HG21 THR A 42 6.004 15.836 -19.080 1.00 0.00 H new ATOM 0 HG22 THR A 42 5.700 16.668 -17.536 1.00 0.00 H new ATOM 0 HG23 THR A 42 5.542 14.898 -17.640 1.00 0.00 H new ATOM 637 N GLY A 43 0.605 15.945 -17.255 1.00 0.00 N ATOM 638 CA GLY A 43 -0.723 16.445 -17.547 1.00 0.00 C ATOM 639 C GLY A 43 -1.360 15.730 -18.720 1.00 0.00 C ATOM 640 O GLY A 43 -2.215 16.286 -19.406 1.00 0.00 O ATOM 0 H GLY A 43 0.628 15.058 -16.753 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.355 16.328 -16.666 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.668 17.512 -17.761 1.00 0.00 H new ATOM 644 N MET A 44 -0.929 14.500 -18.962 1.00 0.00 N ATOM 645 CA MET A 44 -1.497 13.686 -20.028 1.00 0.00 C ATOM 646 C MET A 44 -2.580 12.771 -19.471 1.00 0.00 C ATOM 647 O MET A 44 -2.283 11.762 -18.834 1.00 0.00 O ATOM 648 CB MET A 44 -0.410 12.845 -20.705 1.00 0.00 C ATOM 649 CG MET A 44 0.675 13.666 -21.383 1.00 0.00 C ATOM 650 SD MET A 44 1.943 12.642 -22.158 1.00 0.00 S ATOM 651 CE MET A 44 0.964 11.728 -23.350 1.00 0.00 C ATOM 0 H MET A 44 -0.186 14.043 -18.433 1.00 0.00 H new ATOM 0 HA MET A 44 -1.936 14.354 -20.769 1.00 0.00 H new ATOM 0 HB2 MET A 44 0.051 12.198 -19.959 1.00 0.00 H new ATOM 0 HB3 MET A 44 -0.876 12.196 -21.446 1.00 0.00 H new ATOM 0 HG2 MET A 44 0.221 14.308 -22.138 1.00 0.00 H new ATOM 0 HG3 MET A 44 1.142 14.321 -20.647 1.00 0.00 H new ATOM 0 HE1 MET A 44 1.626 11.171 -24.014 1.00 0.00 H new ATOM 0 HE2 MET A 44 0.308 11.033 -22.826 1.00 0.00 H new ATOM 0 HE3 MET A 44 0.363 12.423 -23.936 1.00 0.00 H new ATOM 661 N PHE A 45 -3.832 13.145 -19.678 1.00 0.00 N ATOM 662 CA PHE A 45 -4.954 12.336 -19.226 1.00 0.00 C ATOM 663 C PHE A 45 -5.627 11.655 -20.414 1.00 0.00 C ATOM 664 O PHE A 45 -5.807 12.271 -21.469 1.00 0.00 O ATOM 665 CB PHE A 45 -5.965 13.204 -18.473 1.00 0.00 C ATOM 666 CG PHE A 45 -5.374 13.939 -17.301 1.00 0.00 C ATOM 667 CD1 PHE A 45 -5.156 13.292 -16.097 1.00 0.00 C ATOM 668 CD2 PHE A 45 -5.036 15.279 -17.407 1.00 0.00 C ATOM 669 CE1 PHE A 45 -4.613 13.967 -15.020 1.00 0.00 C ATOM 670 CE2 PHE A 45 -4.493 15.958 -16.333 1.00 0.00 C ATOM 671 CZ PHE A 45 -4.281 15.302 -15.138 1.00 0.00 C ATOM 0 H PHE A 45 -4.098 14.005 -20.157 1.00 0.00 H new ATOM 0 HA PHE A 45 -4.579 11.569 -18.549 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -6.396 13.928 -19.165 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -6.782 12.573 -18.121 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -5.413 12.248 -15.998 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -5.199 15.798 -18.340 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -4.448 13.450 -14.086 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -4.235 17.002 -16.429 1.00 0.00 H new ATOM 0 HZ PHE A 45 -3.857 15.831 -14.297 1.00 0.00 H new ATOM 681 N PRO A 46 -6.016 10.378 -20.266 1.00 0.00 N ATOM 682 CA PRO A 46 -5.843 9.624 -19.027 1.00 0.00 C ATOM 683 C PRO A 46 -4.465 8.969 -18.925 1.00 0.00 C ATOM 684 O PRO A 46 -3.751 8.829 -19.921 1.00 0.00 O ATOM 685 CB PRO A 46 -6.931 8.560 -19.131 1.00 0.00 C ATOM 686 CG PRO A 46 -7.060 8.293 -20.594 1.00 0.00 C ATOM 687 CD PRO A 46 -6.674 9.569 -21.307 1.00 0.00 C ATOM 0 HA PRO A 46 -5.915 10.258 -18.143 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -6.655 7.657 -18.586 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -7.872 8.913 -18.708 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -6.411 7.470 -20.895 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -8.080 8.003 -20.846 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -6.002 9.371 -22.142 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -7.548 10.078 -21.714 1.00 0.00 H new ATOM 695 N GLN A 47 -4.109 8.560 -17.718 1.00 0.00 N ATOM 696 CA GLN A 47 -2.819 7.931 -17.465 1.00 0.00 C ATOM 697 C GLN A 47 -3.022 6.445 -17.224 1.00 0.00 C ATOM 698 O GLN A 47 -3.587 6.059 -16.212 1.00 0.00 O ATOM 699 CB GLN A 47 -2.184 8.542 -16.216 1.00 0.00 C ATOM 700 CG GLN A 47 -2.335 10.049 -16.119 1.00 0.00 C ATOM 701 CD GLN A 47 -1.988 10.574 -14.742 1.00 0.00 C ATOM 702 OE1 GLN A 47 -1.159 10.006 -14.037 1.00 0.00 O ATOM 703 NE2 GLN A 47 -2.622 11.660 -14.343 1.00 0.00 N ATOM 0 H GLN A 47 -4.699 8.653 -16.891 1.00 0.00 H new ATOM 0 HA GLN A 47 -2.171 8.089 -18.327 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -2.631 8.085 -15.333 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -1.123 8.292 -16.201 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -1.692 10.525 -16.859 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -3.361 10.326 -16.363 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -3.305 12.106 -14.956 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -2.429 12.054 -13.422 1.00 0.00 H new ATOM 712 N GLU A 48 -2.564 5.602 -18.129 1.00 0.00 N ATOM 713 CA GLU A 48 -2.754 4.173 -17.945 1.00 0.00 C ATOM 714 C GLU A 48 -1.423 3.438 -17.923 1.00 0.00 C ATOM 715 O GLU A 48 -0.592 3.585 -18.822 1.00 0.00 O ATOM 716 CB GLU A 48 -3.698 3.601 -19.009 1.00 0.00 C ATOM 717 CG GLU A 48 -3.275 3.869 -20.440 1.00 0.00 C ATOM 718 CD GLU A 48 -4.349 3.481 -21.432 1.00 0.00 C ATOM 719 OE1 GLU A 48 -4.573 2.270 -21.632 1.00 0.00 O ATOM 720 OE2 GLU A 48 -4.988 4.389 -22.008 1.00 0.00 O ATOM 0 H GLU A 48 -2.069 5.870 -18.980 1.00 0.00 H new ATOM 0 HA GLU A 48 -3.224 4.020 -16.974 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.777 2.524 -18.864 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -4.693 4.018 -18.854 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.040 4.927 -20.556 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.363 3.314 -20.658 1.00 0.00 H new ATOM 727 N PHE A 49 -1.217 2.684 -16.855 1.00 0.00 N ATOM 728 CA PHE A 49 -0.031 1.859 -16.709 1.00 0.00 C ATOM 729 C PHE A 49 -0.408 0.512 -16.107 1.00 0.00 C ATOM 730 O PHE A 49 -1.266 0.432 -15.222 1.00 0.00 O ATOM 731 CB PHE A 49 1.042 2.568 -15.864 1.00 0.00 C ATOM 732 CG PHE A 49 0.575 3.059 -14.517 1.00 0.00 C ATOM 733 CD1 PHE A 49 -0.080 4.276 -14.396 1.00 0.00 C ATOM 734 CD2 PHE A 49 0.804 2.311 -13.371 1.00 0.00 C ATOM 735 CE1 PHE A 49 -0.499 4.736 -13.161 1.00 0.00 C ATOM 736 CE2 PHE A 49 0.389 2.767 -12.134 1.00 0.00 C ATOM 737 CZ PHE A 49 -0.264 3.981 -12.029 1.00 0.00 C ATOM 0 H PHE A 49 -1.865 2.627 -16.069 1.00 0.00 H new ATOM 0 HA PHE A 49 0.399 1.690 -17.696 1.00 0.00 H new ATOM 0 HB2 PHE A 49 1.876 1.882 -15.714 1.00 0.00 H new ATOM 0 HB3 PHE A 49 1.425 3.417 -16.430 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -0.265 4.872 -15.278 1.00 0.00 H new ATOM 0 HD2 PHE A 49 1.313 1.361 -13.446 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -1.009 5.685 -13.082 1.00 0.00 H new ATOM 0 HE2 PHE A 49 0.575 2.175 -11.250 1.00 0.00 H new ATOM 0 HZ PHE A 49 -0.590 4.338 -11.063 1.00 0.00 H new ATOM 747 N ILE A 50 0.211 -0.543 -16.607 1.00 0.00 N ATOM 748 CA ILE A 50 -0.124 -1.894 -16.190 1.00 0.00 C ATOM 749 C ILE A 50 1.022 -2.511 -15.394 1.00 0.00 C ATOM 750 O ILE A 50 2.184 -2.376 -15.758 1.00 0.00 O ATOM 751 CB ILE A 50 -0.446 -2.782 -17.417 1.00 0.00 C ATOM 752 CG1 ILE A 50 -1.599 -2.175 -18.221 1.00 0.00 C ATOM 753 CG2 ILE A 50 -0.784 -4.205 -16.990 1.00 0.00 C ATOM 754 CD1 ILE A 50 -1.924 -2.931 -19.493 1.00 0.00 C ATOM 0 H ILE A 50 0.952 -0.490 -17.306 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.007 -1.839 -15.554 1.00 0.00 H new ATOM 0 HB ILE A 50 0.440 -2.824 -18.050 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -2.489 -2.141 -17.593 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.349 -1.145 -18.476 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -1.006 -4.806 -17.872 1.00 0.00 H new ATOM 0 HG22 ILE A 50 0.065 -4.637 -16.460 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.653 -4.191 -16.332 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -2.751 -2.440 -20.007 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -1.049 -2.943 -20.143 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -2.207 -3.954 -19.246 1.00 0.00 H new ATOM 766 N ILE A 51 0.693 -3.166 -14.296 1.00 0.00 N ATOM 767 CA ILE A 51 1.686 -3.878 -13.515 1.00 0.00 C ATOM 768 C ILE A 51 1.453 -5.378 -13.648 1.00 0.00 C ATOM 769 O ILE A 51 0.397 -5.889 -13.271 1.00 0.00 O ATOM 770 CB ILE A 51 1.647 -3.477 -12.023 1.00 0.00 C ATOM 771 CG1 ILE A 51 1.689 -1.952 -11.877 1.00 0.00 C ATOM 772 CG2 ILE A 51 2.820 -4.109 -11.283 1.00 0.00 C ATOM 773 CD1 ILE A 51 1.568 -1.472 -10.445 1.00 0.00 C ATOM 0 H ILE A 51 -0.256 -3.219 -13.925 1.00 0.00 H new ATOM 0 HA ILE A 51 2.669 -3.611 -13.902 1.00 0.00 H new ATOM 0 HB ILE A 51 0.716 -3.840 -11.588 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.624 -1.582 -12.297 1.00 0.00 H new ATOM 0 HG13 ILE A 51 0.881 -1.517 -12.466 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.785 -3.821 -10.232 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.759 -5.194 -11.364 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.756 -3.764 -11.723 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.606 -0.383 -10.422 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.620 -1.811 -10.026 1.00 0.00 H new ATOM 0 HD13 ILE A 51 2.391 -1.876 -9.855 1.00 0.00 H new ATOM 785 N CYS A 52 2.427 -6.072 -14.211 1.00 0.00 N ATOM 786 CA CYS A 52 2.319 -7.504 -14.422 1.00 0.00 C ATOM 787 C CYS A 52 3.149 -8.260 -13.395 1.00 0.00 C ATOM 788 O CYS A 52 4.337 -7.988 -13.220 1.00 0.00 O ATOM 789 CB CYS A 52 2.764 -7.865 -15.841 1.00 0.00 C ATOM 790 SG CYS A 52 4.402 -7.246 -16.298 1.00 0.00 S ATOM 0 H CYS A 52 3.305 -5.664 -14.531 1.00 0.00 H new ATOM 0 HA CYS A 52 1.276 -7.795 -14.300 1.00 0.00 H new ATOM 0 HB2 CYS A 52 2.758 -8.950 -15.944 1.00 0.00 H new ATOM 0 HB3 CYS A 52 2.032 -7.474 -16.548 1.00 0.00 H new ATOM 0 HG CYS A 52 4.882 -6.529 -15.326 1.00 0.00 H new ATOM 796 N PHE A 53 2.520 -9.207 -12.721 1.00 0.00 N ATOM 797 CA PHE A 53 3.183 -9.965 -11.669 1.00 0.00 C ATOM 798 C PHE A 53 4.035 -11.090 -12.249 1.00 0.00 C ATOM 799 O PHE A 53 4.938 -11.591 -11.585 1.00 0.00 O ATOM 800 CB PHE A 53 2.149 -10.546 -10.702 1.00 0.00 C ATOM 801 CG PHE A 53 1.324 -9.502 -10.002 1.00 0.00 C ATOM 802 CD1 PHE A 53 1.790 -8.891 -8.850 1.00 0.00 C ATOM 803 CD2 PHE A 53 0.082 -9.135 -10.495 1.00 0.00 C ATOM 804 CE1 PHE A 53 1.034 -7.934 -8.202 1.00 0.00 C ATOM 805 CE2 PHE A 53 -0.679 -8.177 -9.852 1.00 0.00 C ATOM 806 CZ PHE A 53 -0.202 -7.577 -8.704 1.00 0.00 C ATOM 0 H PHE A 53 1.548 -9.471 -12.883 1.00 0.00 H new ATOM 0 HA PHE A 53 3.839 -9.282 -11.130 1.00 0.00 H new ATOM 0 HB2 PHE A 53 1.485 -11.213 -11.252 1.00 0.00 H new ATOM 0 HB3 PHE A 53 2.663 -11.152 -9.955 1.00 0.00 H new ATOM 0 HD1 PHE A 53 2.756 -9.166 -8.454 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -0.296 -9.603 -11.392 1.00 0.00 H new ATOM 0 HE1 PHE A 53 1.409 -7.465 -7.304 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -1.645 -7.898 -10.247 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.795 -6.829 -8.199 1.00 0.00 H new ATOM 816 N HIS A 54 3.728 -11.485 -13.491 1.00 0.00 N ATOM 817 CA HIS A 54 4.423 -12.594 -14.168 1.00 0.00 C ATOM 818 C HIS A 54 4.092 -13.931 -13.510 1.00 0.00 C ATOM 819 O HIS A 54 4.653 -14.966 -13.869 1.00 0.00 O ATOM 820 CB HIS A 54 5.950 -12.400 -14.165 1.00 0.00 C ATOM 821 CG HIS A 54 6.452 -11.341 -15.098 1.00 0.00 C ATOM 822 ND1 HIS A 54 7.279 -11.614 -16.164 1.00 0.00 N ATOM 823 CD2 HIS A 54 6.265 -10.001 -15.107 1.00 0.00 C ATOM 824 CE1 HIS A 54 7.578 -10.492 -16.787 1.00 0.00 C ATOM 825 NE2 HIS A 54 6.975 -9.494 -16.168 1.00 0.00 N ATOM 0 H HIS A 54 2.997 -11.050 -14.054 1.00 0.00 H new ATOM 0 HA HIS A 54 4.072 -12.597 -15.200 1.00 0.00 H new ATOM 0 HB2 HIS A 54 6.268 -12.152 -13.152 1.00 0.00 H new ATOM 0 HB3 HIS A 54 6.423 -13.347 -14.425 1.00 0.00 H new ATOM 0 HD1 HIS A 54 7.609 -12.542 -16.430 1.00 0.00 H new ATOM 0 HD2 HIS A 54 5.667 -9.434 -14.408 1.00 0.00 H new ATOM 0 HE1 HIS A 54 8.210 -10.404 -17.658 1.00 0.00 H new ATOM 833 N LYS A 55 3.164 -13.903 -12.567 1.00 0.00 N ATOM 834 CA LYS A 55 2.882 -15.055 -11.726 1.00 0.00 C ATOM 835 C LYS A 55 1.449 -14.994 -11.217 1.00 0.00 C ATOM 836 O LYS A 55 0.720 -14.048 -11.513 1.00 0.00 O ATOM 837 CB LYS A 55 3.859 -15.069 -10.546 1.00 0.00 C ATOM 838 CG LYS A 55 3.785 -13.806 -9.706 1.00 0.00 C ATOM 839 CD LYS A 55 5.030 -13.610 -8.865 1.00 0.00 C ATOM 840 CE LYS A 55 5.008 -12.256 -8.179 1.00 0.00 C ATOM 841 NZ LYS A 55 6.275 -11.968 -7.469 1.00 0.00 N ATOM 0 H LYS A 55 2.588 -13.086 -12.364 1.00 0.00 H new ATOM 0 HA LYS A 55 3.004 -15.968 -12.309 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.647 -15.932 -9.915 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.875 -15.191 -10.922 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.649 -12.944 -10.359 1.00 0.00 H new ATOM 0 HG3 LYS A 55 2.912 -13.854 -9.055 1.00 0.00 H new ATOM 0 HD2 LYS A 55 5.098 -14.401 -8.118 1.00 0.00 H new ATOM 0 HD3 LYS A 55 5.916 -13.690 -9.495 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.824 -11.478 -8.920 1.00 0.00 H new ATOM 0 HE3 LYS A 55 4.181 -12.223 -7.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 6.351 -10.945 -7.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 6.287 -12.475 -6.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 7.078 -12.281 -8.051 1.00 0.00 H new ATOM 855 N HIS A 56 1.057 -15.993 -10.439 1.00 0.00 N ATOM 856 CA HIS A 56 -0.296 -16.058 -9.896 1.00 0.00 C ATOM 857 C HIS A 56 -0.284 -15.609 -8.443 1.00 0.00 C ATOM 858 O HIS A 56 0.277 -16.292 -7.584 1.00 0.00 O ATOM 859 CB HIS A 56 -0.857 -17.483 -9.995 1.00 0.00 C ATOM 860 CG HIS A 56 -0.905 -18.027 -11.392 1.00 0.00 C ATOM 861 ND1 HIS A 56 -2.072 -18.182 -12.107 1.00 0.00 N ATOM 862 CD2 HIS A 56 0.086 -18.478 -12.196 1.00 0.00 C ATOM 863 CE1 HIS A 56 -1.795 -18.700 -13.288 1.00 0.00 C ATOM 864 NE2 HIS A 56 -0.493 -18.888 -13.368 1.00 0.00 N ATOM 0 H HIS A 56 1.657 -16.772 -10.168 1.00 0.00 H new ATOM 0 HA HIS A 56 -0.936 -15.396 -10.479 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -0.248 -18.145 -9.380 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -1.864 -17.495 -9.577 1.00 0.00 H new ATOM 0 HD2 HIS A 56 1.139 -18.509 -11.958 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -2.514 -18.931 -14.060 1.00 0.00 H new ATOM 0 HE2 HIS A 56 0.002 -19.275 -14.171 1.00 0.00 H new ATOM 872 N VAL A 57 -0.875 -14.455 -8.169 1.00 0.00 N ATOM 873 CA VAL A 57 -0.877 -13.917 -6.818 1.00 0.00 C ATOM 874 C VAL A 57 -2.292 -13.652 -6.320 1.00 0.00 C ATOM 875 O VAL A 57 -3.199 -13.344 -7.096 1.00 0.00 O ATOM 876 CB VAL A 57 -0.052 -12.613 -6.709 1.00 0.00 C ATOM 877 CG1 VAL A 57 1.408 -12.865 -7.050 1.00 0.00 C ATOM 878 CG2 VAL A 57 -0.630 -11.525 -7.602 1.00 0.00 C ATOM 0 H VAL A 57 -1.356 -13.878 -8.859 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.413 -14.679 -6.192 1.00 0.00 H new ATOM 0 HB VAL A 57 -0.107 -12.269 -5.676 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.967 -11.933 -6.966 1.00 0.00 H new ATOM 0 HG12 VAL A 57 1.821 -13.600 -6.359 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.484 -13.243 -8.070 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -0.031 -10.619 -7.506 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.617 -11.860 -8.639 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.656 -11.315 -7.301 1.00 0.00 H new ATOM 888 N ARG A 58 -2.461 -13.793 -5.019 1.00 0.00 N ATOM 889 CA ARG A 58 -3.707 -13.469 -4.356 1.00 0.00 C ATOM 890 C ARG A 58 -3.584 -12.093 -3.722 1.00 0.00 C ATOM 891 O ARG A 58 -2.801 -11.902 -2.790 1.00 0.00 O ATOM 892 CB ARG A 58 -4.024 -14.517 -3.284 1.00 0.00 C ATOM 893 CG ARG A 58 -5.279 -14.217 -2.476 1.00 0.00 C ATOM 894 CD ARG A 58 -5.506 -15.255 -1.388 1.00 0.00 C ATOM 895 NE ARG A 58 -4.418 -15.279 -0.409 1.00 0.00 N ATOM 896 CZ ARG A 58 -4.410 -16.046 0.684 1.00 0.00 C ATOM 897 NH1 ARG A 58 -5.451 -16.819 0.969 1.00 0.00 N ATOM 898 NH2 ARG A 58 -3.364 -16.022 1.499 1.00 0.00 N ATOM 0 H ARG A 58 -1.734 -14.137 -4.391 1.00 0.00 H new ATOM 0 HA ARG A 58 -4.518 -13.466 -5.084 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.137 -15.489 -3.763 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -3.176 -14.594 -2.604 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -5.194 -13.229 -2.025 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -6.143 -14.191 -3.141 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -6.446 -15.044 -0.878 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -5.604 -16.240 -1.843 1.00 0.00 H new ATOM 0 HE ARG A 58 -3.615 -14.671 -0.572 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -6.263 -16.829 0.352 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -5.439 -17.403 1.805 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -2.568 -15.419 1.290 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -3.355 -16.607 2.335 1.00 0.00 H new ATOM 912 N ILE A 59 -4.343 -11.138 -4.232 1.00 0.00 N ATOM 913 CA ILE A 59 -4.304 -9.785 -3.711 1.00 0.00 C ATOM 914 C ILE A 59 -5.321 -9.647 -2.594 1.00 0.00 C ATOM 915 O ILE A 59 -6.506 -9.934 -2.779 1.00 0.00 O ATOM 916 CB ILE A 59 -4.600 -8.744 -4.812 1.00 0.00 C ATOM 917 CG1 ILE A 59 -3.624 -8.916 -5.980 1.00 0.00 C ATOM 918 CG2 ILE A 59 -4.515 -7.331 -4.247 1.00 0.00 C ATOM 919 CD1 ILE A 59 -3.950 -8.050 -7.176 1.00 0.00 C ATOM 0 H ILE A 59 -4.993 -11.276 -5.006 1.00 0.00 H new ATOM 0 HA ILE A 59 -3.300 -9.596 -3.332 1.00 0.00 H new ATOM 0 HB ILE A 59 -5.613 -8.905 -5.180 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -2.616 -8.682 -5.637 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -3.621 -9.961 -6.289 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -4.726 -6.610 -5.037 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -5.244 -7.215 -3.445 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -3.513 -7.156 -3.854 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -3.217 -8.225 -7.963 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -4.945 -8.299 -7.545 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -3.924 -7.000 -6.883 1.00 0.00 H new ATOM 931 N GLU A 60 -4.844 -9.242 -1.430 1.00 0.00 N ATOM 932 CA GLU A 60 -5.683 -9.169 -0.249 1.00 0.00 C ATOM 933 C GLU A 60 -5.841 -7.728 0.226 1.00 0.00 C ATOM 934 O GLU A 60 -6.723 -7.427 1.035 1.00 0.00 O ATOM 935 CB GLU A 60 -5.083 -10.036 0.859 1.00 0.00 C ATOM 936 CG GLU A 60 -4.918 -11.497 0.455 1.00 0.00 C ATOM 937 CD GLU A 60 -4.287 -12.341 1.543 1.00 0.00 C ATOM 938 OE1 GLU A 60 -4.914 -12.488 2.616 1.00 0.00 O ATOM 939 OE2 GLU A 60 -3.175 -12.873 1.321 1.00 0.00 O ATOM 0 H GLU A 60 -3.876 -8.958 -1.278 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.675 -9.544 -0.502 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.111 -9.632 1.142 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.721 -9.979 1.741 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -5.894 -11.911 0.201 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.304 -11.553 -0.444 1.00 0.00 H new ATOM 946 N ARG A 61 -4.991 -6.840 -0.278 1.00 0.00 N ATOM 947 CA ARG A 61 -5.030 -5.434 0.107 1.00 0.00 C ATOM 948 C ARG A 61 -4.111 -4.626 -0.808 1.00 0.00 C ATOM 949 O ARG A 61 -3.201 -5.183 -1.413 1.00 0.00 O ATOM 950 CB ARG A 61 -4.601 -5.294 1.573 1.00 0.00 C ATOM 951 CG ARG A 61 -5.025 -3.990 2.229 1.00 0.00 C ATOM 952 CD ARG A 61 -4.771 -4.019 3.730 1.00 0.00 C ATOM 953 NE ARG A 61 -3.353 -4.170 4.040 1.00 0.00 N ATOM 954 CZ ARG A 61 -2.877 -4.549 5.225 1.00 0.00 C ATOM 955 NH1 ARG A 61 -3.703 -4.830 6.225 1.00 0.00 N ATOM 956 NH2 ARG A 61 -1.568 -4.649 5.408 1.00 0.00 N ATOM 0 H ARG A 61 -4.265 -7.070 -0.956 1.00 0.00 H new ATOM 0 HA ARG A 61 -6.045 -5.049 0.003 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -5.018 -6.125 2.142 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -3.516 -5.380 1.631 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -4.478 -3.160 1.781 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -6.084 -3.813 2.040 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -5.145 -3.099 4.179 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.330 -4.841 4.177 1.00 0.00 H new ATOM 0 HE ARG A 61 -2.681 -3.972 3.299 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -4.711 -4.757 6.090 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -3.330 -5.119 7.129 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -0.928 -4.436 4.643 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -1.200 -4.939 6.314 1.00 0.00 H new ATOM 970 N LEU A 62 -4.367 -3.332 -0.945 1.00 0.00 N ATOM 971 CA LEU A 62 -3.535 -2.473 -1.781 1.00 0.00 C ATOM 972 C LEU A 62 -3.185 -1.184 -1.048 1.00 0.00 C ATOM 973 O LEU A 62 -4.040 -0.577 -0.401 1.00 0.00 O ATOM 974 CB LEU A 62 -4.236 -2.120 -3.104 1.00 0.00 C ATOM 975 CG LEU A 62 -4.524 -3.288 -4.053 1.00 0.00 C ATOM 976 CD1 LEU A 62 -5.860 -3.938 -3.726 1.00 0.00 C ATOM 977 CD2 LEU A 62 -4.502 -2.814 -5.498 1.00 0.00 C ATOM 0 H LEU A 62 -5.143 -2.853 -0.489 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.625 -3.030 -2.003 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.180 -1.628 -2.870 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.621 -1.393 -3.634 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.742 -4.036 -3.919 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -6.041 -4.764 -4.414 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -5.841 -4.315 -2.703 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -6.657 -3.201 -3.826 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -4.708 -3.655 -6.160 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -5.262 -2.045 -5.640 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.520 -2.401 -5.731 1.00 0.00 H new ATOM 989 N VAL A 63 -1.928 -0.775 -1.154 1.00 0.00 N ATOM 990 CA VAL A 63 -1.481 0.491 -0.589 1.00 0.00 C ATOM 991 C VAL A 63 -1.324 1.525 -1.696 1.00 0.00 C ATOM 992 O VAL A 63 -0.419 1.422 -2.527 1.00 0.00 O ATOM 993 CB VAL A 63 -0.134 0.348 0.153 1.00 0.00 C ATOM 994 CG1 VAL A 63 0.267 1.666 0.803 1.00 0.00 C ATOM 995 CG2 VAL A 63 -0.201 -0.760 1.190 1.00 0.00 C ATOM 0 H VAL A 63 -1.197 -1.304 -1.628 1.00 0.00 H new ATOM 0 HA VAL A 63 -2.237 0.811 0.128 1.00 0.00 H new ATOM 0 HB VAL A 63 0.627 0.082 -0.580 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.219 1.542 1.320 1.00 0.00 H new ATOM 0 HG12 VAL A 63 0.368 2.434 0.036 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -0.498 1.966 1.519 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.760 -0.841 1.699 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -0.979 -0.530 1.918 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.432 -1.705 0.698 1.00 0.00 H new ATOM 1005 N ILE A 64 -2.217 2.502 -1.725 1.00 0.00 N ATOM 1006 CA ILE A 64 -2.183 3.527 -2.756 1.00 0.00 C ATOM 1007 C ILE A 64 -1.840 4.886 -2.151 1.00 0.00 C ATOM 1008 O ILE A 64 -2.680 5.521 -1.517 1.00 0.00 O ATOM 1009 CB ILE A 64 -3.538 3.636 -3.494 1.00 0.00 C ATOM 1010 CG1 ILE A 64 -4.075 2.244 -3.860 1.00 0.00 C ATOM 1011 CG2 ILE A 64 -3.391 4.492 -4.746 1.00 0.00 C ATOM 1012 CD1 ILE A 64 -3.193 1.468 -4.817 1.00 0.00 C ATOM 0 H ILE A 64 -2.973 2.607 -1.048 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.414 3.236 -3.472 1.00 0.00 H new ATOM 0 HB ILE A 64 -4.254 4.113 -2.824 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -4.199 1.663 -2.946 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -5.064 2.354 -4.304 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -4.352 4.560 -5.255 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.057 5.491 -4.466 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.658 4.038 -5.413 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -3.645 0.498 -5.023 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -3.089 2.025 -5.748 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -2.210 1.323 -4.369 1.00 0.00 H new ATOM 1024 N GLN A 65 -0.602 5.316 -2.331 1.00 0.00 N ATOM 1025 CA GLN A 65 -0.159 6.613 -1.833 1.00 0.00 C ATOM 1026 C GLN A 65 0.253 7.509 -2.997 1.00 0.00 C ATOM 1027 O GLN A 65 1.341 7.355 -3.564 1.00 0.00 O ATOM 1028 CB GLN A 65 1.011 6.435 -0.863 1.00 0.00 C ATOM 1029 CG GLN A 65 1.493 7.734 -0.236 1.00 0.00 C ATOM 1030 CD GLN A 65 2.778 7.557 0.549 1.00 0.00 C ATOM 1031 OE1 GLN A 65 2.765 7.275 1.746 1.00 0.00 O ATOM 1032 NE2 GLN A 65 3.901 7.717 -0.131 1.00 0.00 N ATOM 0 H GLN A 65 0.119 4.785 -2.820 1.00 0.00 H new ATOM 0 HA GLN A 65 -0.985 7.086 -1.301 1.00 0.00 H new ATOM 0 HB2 GLN A 65 0.712 5.749 -0.070 1.00 0.00 H new ATOM 0 HB3 GLN A 65 1.842 5.968 -1.392 1.00 0.00 H new ATOM 0 HG2 GLN A 65 1.649 8.476 -1.019 1.00 0.00 H new ATOM 0 HG3 GLN A 65 0.718 8.125 0.424 1.00 0.00 H new ATOM 0 HE21 GLN A 65 3.867 7.951 -1.123 1.00 0.00 H new ATOM 0 HE22 GLN A 65 4.801 7.607 0.337 1.00 0.00 H new ATOM 1041 N SER A 66 -0.619 8.438 -3.360 1.00 0.00 N ATOM 1042 CA SER A 66 -0.369 9.314 -4.496 1.00 0.00 C ATOM 1043 C SER A 66 -0.839 10.737 -4.204 1.00 0.00 C ATOM 1044 O SER A 66 -1.546 10.979 -3.226 1.00 0.00 O ATOM 1045 CB SER A 66 -1.072 8.766 -5.739 1.00 0.00 C ATOM 1046 OG SER A 66 -0.675 7.430 -5.999 1.00 0.00 O ATOM 0 H SER A 66 -1.506 8.605 -2.885 1.00 0.00 H new ATOM 0 HA SER A 66 0.705 9.346 -4.678 1.00 0.00 H new ATOM 0 HB2 SER A 66 -2.152 8.807 -5.598 1.00 0.00 H new ATOM 0 HB3 SER A 66 -0.838 9.393 -6.600 1.00 0.00 H new ATOM 0 HG SER A 66 -1.138 7.100 -6.797 1.00 0.00 H new ATOM 1052 N TYR A 67 -0.430 11.673 -5.052 1.00 0.00 N ATOM 1053 CA TYR A 67 -0.800 13.072 -4.891 1.00 0.00 C ATOM 1054 C TYR A 67 -2.024 13.423 -5.728 1.00 0.00 C ATOM 1055 O TYR A 67 -2.027 13.229 -6.948 1.00 0.00 O ATOM 1056 CB TYR A 67 0.363 13.985 -5.285 1.00 0.00 C ATOM 1057 CG TYR A 67 1.534 13.939 -4.331 1.00 0.00 C ATOM 1058 CD1 TYR A 67 1.583 14.780 -3.224 1.00 0.00 C ATOM 1059 CD2 TYR A 67 2.592 13.063 -4.536 1.00 0.00 C ATOM 1060 CE1 TYR A 67 2.652 14.746 -2.351 1.00 0.00 C ATOM 1061 CE2 TYR A 67 3.663 13.023 -3.666 1.00 0.00 C ATOM 1062 CZ TYR A 67 3.688 13.866 -2.576 1.00 0.00 C ATOM 1063 OH TYR A 67 4.755 13.828 -1.710 1.00 0.00 O ATOM 0 H TYR A 67 0.161 11.486 -5.862 1.00 0.00 H new ATOM 0 HA TYR A 67 -1.042 13.225 -3.839 1.00 0.00 H new ATOM 0 HB2 TYR A 67 0.708 13.707 -6.281 1.00 0.00 H new ATOM 0 HB3 TYR A 67 0.000 15.011 -5.349 1.00 0.00 H new ATOM 0 HD1 TYR A 67 0.772 15.470 -3.045 1.00 0.00 H new ATOM 0 HD2 TYR A 67 2.577 12.402 -5.390 1.00 0.00 H new ATOM 0 HE1 TYR A 67 2.676 15.406 -1.496 1.00 0.00 H new ATOM 0 HE2 TYR A 67 4.477 12.335 -3.839 1.00 0.00 H new ATOM 0 HH TYR A 67 5.397 13.152 -2.012 1.00 0.00 H new ATOM 1073 N PHE A 68 -3.051 13.939 -5.051 1.00 0.00 N ATOM 1074 CA PHE A 68 -4.265 14.454 -5.692 1.00 0.00 C ATOM 1075 C PHE A 68 -5.089 13.345 -6.345 1.00 0.00 C ATOM 1076 O PHE A 68 -6.009 12.809 -5.730 1.00 0.00 O ATOM 1077 CB PHE A 68 -3.929 15.541 -6.724 1.00 0.00 C ATOM 1078 CG PHE A 68 -3.077 16.657 -6.178 1.00 0.00 C ATOM 1079 CD1 PHE A 68 -3.535 17.455 -5.143 1.00 0.00 C ATOM 1080 CD2 PHE A 68 -1.819 16.904 -6.704 1.00 0.00 C ATOM 1081 CE1 PHE A 68 -2.752 18.478 -4.642 1.00 0.00 C ATOM 1082 CE2 PHE A 68 -1.033 17.928 -6.207 1.00 0.00 C ATOM 1083 CZ PHE A 68 -1.502 18.715 -5.174 1.00 0.00 C ATOM 0 H PHE A 68 -3.065 14.012 -4.034 1.00 0.00 H new ATOM 0 HA PHE A 68 -4.871 14.895 -4.901 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -3.412 15.081 -7.567 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.858 15.961 -7.110 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -4.514 17.276 -4.723 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -1.448 16.290 -7.511 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -3.119 19.092 -3.833 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -0.055 18.112 -6.626 1.00 0.00 H new ATOM 0 HZ PHE A 68 -0.891 19.515 -4.783 1.00 0.00 H new ATOM 1093 N VAL A 69 -4.736 12.996 -7.586 1.00 0.00 N ATOM 1094 CA VAL A 69 -5.512 12.046 -8.387 1.00 0.00 C ATOM 1095 C VAL A 69 -6.968 12.540 -8.507 1.00 0.00 C ATOM 1096 O VAL A 69 -7.234 13.735 -8.326 1.00 0.00 O ATOM 1097 CB VAL A 69 -5.458 10.609 -7.783 1.00 0.00 C ATOM 1098 CG1 VAL A 69 -5.852 9.552 -8.809 1.00 0.00 C ATOM 1099 CG2 VAL A 69 -4.071 10.301 -7.236 1.00 0.00 C ATOM 0 H VAL A 69 -3.910 13.361 -8.060 1.00 0.00 H new ATOM 0 HA VAL A 69 -5.071 11.991 -9.382 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.179 10.579 -6.966 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -5.802 8.564 -8.351 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -6.868 9.741 -9.154 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -5.167 9.594 -9.656 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -4.059 9.293 -6.820 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -3.339 10.370 -8.041 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -3.820 11.019 -6.455 1.00 0.00 H new ATOM 1109 N GLN A 70 -7.885 11.642 -8.851 1.00 0.00 N ATOM 1110 CA GLN A 70 -9.307 11.960 -8.954 1.00 0.00 C ATOM 1111 C GLN A 70 -10.095 10.685 -9.226 1.00 0.00 C ATOM 1112 O GLN A 70 -10.706 10.107 -8.326 1.00 0.00 O ATOM 1113 CB GLN A 70 -9.564 12.977 -10.070 1.00 0.00 C ATOM 1114 CG GLN A 70 -11.018 13.392 -10.207 1.00 0.00 C ATOM 1115 CD GLN A 70 -11.247 14.305 -11.393 1.00 0.00 C ATOM 1116 OE1 GLN A 70 -11.520 13.846 -12.499 1.00 0.00 O ATOM 1117 NE2 GLN A 70 -11.137 15.603 -11.170 1.00 0.00 N ATOM 0 H GLN A 70 -7.664 10.670 -9.067 1.00 0.00 H new ATOM 0 HA GLN A 70 -9.632 12.400 -8.011 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -8.960 13.865 -9.884 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -9.227 12.555 -11.017 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -11.639 12.502 -10.311 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -11.336 13.898 -9.295 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -10.909 15.942 -10.236 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -11.281 16.265 -11.932 1.00 0.00 H new ATOM 1126 N THR A 71 -10.052 10.237 -10.470 1.00 0.00 N ATOM 1127 CA THR A 71 -10.723 9.014 -10.865 1.00 0.00 C ATOM 1128 C THR A 71 -9.695 7.924 -11.134 1.00 0.00 C ATOM 1129 O THR A 71 -9.015 7.938 -12.162 1.00 0.00 O ATOM 1130 CB THR A 71 -11.585 9.235 -12.125 1.00 0.00 C ATOM 1131 OG1 THR A 71 -12.465 10.350 -11.924 1.00 0.00 O ATOM 1132 CG2 THR A 71 -12.400 7.992 -12.454 1.00 0.00 C ATOM 0 H THR A 71 -9.555 10.707 -11.227 1.00 0.00 H new ATOM 0 HA THR A 71 -11.378 8.708 -10.049 1.00 0.00 H new ATOM 0 HB THR A 71 -10.918 9.441 -12.962 1.00 0.00 H new ATOM 0 HG1 THR A 71 -13.009 10.487 -12.728 1.00 0.00 H new ATOM 0 HG21 THR A 71 -12.999 8.175 -13.346 1.00 0.00 H new ATOM 0 HG22 THR A 71 -11.728 7.153 -12.634 1.00 0.00 H new ATOM 0 HG23 THR A 71 -13.058 7.757 -11.618 1.00 0.00 H new ATOM 1140 N LEU A 72 -9.558 7.002 -10.194 1.00 0.00 N ATOM 1141 CA LEU A 72 -8.601 5.920 -10.331 1.00 0.00 C ATOM 1142 C LEU A 72 -9.315 4.630 -10.708 1.00 0.00 C ATOM 1143 O LEU A 72 -9.937 3.975 -9.869 1.00 0.00 O ATOM 1144 CB LEU A 72 -7.788 5.749 -9.044 1.00 0.00 C ATOM 1145 CG LEU A 72 -6.737 4.637 -9.079 1.00 0.00 C ATOM 1146 CD1 LEU A 72 -5.843 4.781 -10.301 1.00 0.00 C ATOM 1147 CD2 LEU A 72 -5.901 4.668 -7.812 1.00 0.00 C ATOM 0 H LEU A 72 -10.098 6.983 -9.329 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.904 6.169 -11.131 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.289 6.692 -8.821 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -8.476 5.551 -8.222 1.00 0.00 H new ATOM 0 HG LEU A 72 -7.252 3.678 -9.140 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -5.103 3.981 -10.307 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -6.450 4.721 -11.205 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.335 5.745 -10.269 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -5.157 3.873 -7.848 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.399 5.632 -7.731 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.547 4.522 -6.946 1.00 0.00 H new ATOM 1159 N LYS A 73 -9.226 4.292 -11.981 1.00 0.00 N ATOM 1160 CA LYS A 73 -9.903 3.136 -12.541 1.00 0.00 C ATOM 1161 C LYS A 73 -8.958 1.940 -12.611 1.00 0.00 C ATOM 1162 O LYS A 73 -8.013 1.932 -13.391 1.00 0.00 O ATOM 1163 CB LYS A 73 -10.430 3.505 -13.930 1.00 0.00 C ATOM 1164 CG LYS A 73 -11.054 2.359 -14.700 1.00 0.00 C ATOM 1165 CD LYS A 73 -11.800 2.877 -15.919 1.00 0.00 C ATOM 1166 CE LYS A 73 -12.341 1.745 -16.771 1.00 0.00 C ATOM 1167 NZ LYS A 73 -13.029 0.713 -15.955 1.00 0.00 N ATOM 0 H LYS A 73 -8.677 4.817 -12.662 1.00 0.00 H new ATOM 0 HA LYS A 73 -10.738 2.850 -11.901 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -11.171 4.298 -13.823 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -9.608 3.914 -14.518 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -10.279 1.659 -15.012 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -11.739 1.810 -14.054 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -12.623 3.515 -15.597 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -11.132 3.496 -16.518 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -13.036 2.147 -17.508 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -11.522 1.284 -17.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -13.485 0.021 -16.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -12.335 0.228 -15.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -13.750 1.166 -15.358 1.00 0.00 H new ATOM 1181 N ILE A 74 -9.206 0.946 -11.775 1.00 0.00 N ATOM 1182 CA ILE A 74 -8.353 -0.232 -11.714 1.00 0.00 C ATOM 1183 C ILE A 74 -9.021 -1.424 -12.392 1.00 0.00 C ATOM 1184 O ILE A 74 -10.081 -1.887 -11.956 1.00 0.00 O ATOM 1185 CB ILE A 74 -8.021 -0.616 -10.255 1.00 0.00 C ATOM 1186 CG1 ILE A 74 -7.445 0.584 -9.499 1.00 0.00 C ATOM 1187 CG2 ILE A 74 -7.044 -1.785 -10.222 1.00 0.00 C ATOM 1188 CD1 ILE A 74 -7.313 0.353 -8.008 1.00 0.00 C ATOM 0 H ILE A 74 -9.993 0.930 -11.127 1.00 0.00 H new ATOM 0 HA ILE A 74 -7.430 0.020 -12.237 1.00 0.00 H new ATOM 0 HB ILE A 74 -8.944 -0.921 -9.762 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -6.464 0.825 -9.909 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -8.084 1.451 -9.669 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -6.820 -2.043 -9.187 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -7.489 -2.645 -10.723 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -6.123 -1.504 -10.733 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -6.899 1.244 -7.537 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -8.295 0.142 -7.584 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -6.650 -0.494 -7.828 1.00 0.00 H new ATOM 1200 N GLU A 75 -8.400 -1.914 -13.452 1.00 0.00 N ATOM 1201 CA GLU A 75 -8.879 -3.101 -14.144 1.00 0.00 C ATOM 1202 C GLU A 75 -8.153 -4.343 -13.645 1.00 0.00 C ATOM 1203 O GLU A 75 -6.948 -4.306 -13.376 1.00 0.00 O ATOM 1204 CB GLU A 75 -8.687 -2.971 -15.655 1.00 0.00 C ATOM 1205 CG GLU A 75 -9.978 -2.762 -16.427 1.00 0.00 C ATOM 1206 CD GLU A 75 -10.611 -1.416 -16.165 1.00 0.00 C ATOM 1207 OE1 GLU A 75 -10.256 -0.452 -16.868 1.00 0.00 O ATOM 1208 OE2 GLU A 75 -11.480 -1.320 -15.272 1.00 0.00 O ATOM 0 H GLU A 75 -7.557 -1.505 -13.855 1.00 0.00 H new ATOM 0 HA GLU A 75 -9.944 -3.198 -13.932 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -8.017 -2.135 -15.855 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -8.195 -3.870 -16.027 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.777 -2.861 -17.494 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -10.685 -3.548 -16.161 1.00 0.00 H new ATOM 1215 N LYS A 76 -8.888 -5.435 -13.534 1.00 0.00 N ATOM 1216 CA LYS A 76 -8.339 -6.703 -13.079 1.00 0.00 C ATOM 1217 C LYS A 76 -8.211 -7.668 -14.252 1.00 0.00 C ATOM 1218 O LYS A 76 -9.128 -7.784 -15.066 1.00 0.00 O ATOM 1219 CB LYS A 76 -9.255 -7.303 -12.007 1.00 0.00 C ATOM 1220 CG LYS A 76 -8.803 -8.655 -11.487 1.00 0.00 C ATOM 1221 CD LYS A 76 -9.888 -9.308 -10.646 1.00 0.00 C ATOM 1222 CE LYS A 76 -9.484 -10.702 -10.203 1.00 0.00 C ATOM 1223 NZ LYS A 76 -10.609 -11.434 -9.567 1.00 0.00 N ATOM 0 H LYS A 76 -9.883 -5.469 -13.756 1.00 0.00 H new ATOM 0 HA LYS A 76 -7.350 -6.533 -12.654 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -9.320 -6.608 -11.170 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -10.260 -7.402 -12.418 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -8.548 -9.304 -12.325 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -7.899 -8.535 -10.890 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -10.092 -8.692 -9.770 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -10.813 -9.361 -11.221 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -9.126 -11.266 -11.064 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -8.654 -10.632 -9.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -10.289 -12.381 -9.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -10.935 -10.910 -8.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -11.392 -11.524 -10.245 1.00 0.00 H new ATOM 1237 N SER A 77 -7.072 -8.338 -14.351 1.00 0.00 N ATOM 1238 CA SER A 77 -6.874 -9.356 -15.369 1.00 0.00 C ATOM 1239 C SER A 77 -6.070 -10.518 -14.801 1.00 0.00 C ATOM 1240 O SER A 77 -5.169 -10.323 -13.980 1.00 0.00 O ATOM 1241 CB SER A 77 -6.158 -8.769 -16.586 1.00 0.00 C ATOM 1242 OG SER A 77 -6.052 -9.723 -17.631 1.00 0.00 O ATOM 0 H SER A 77 -6.270 -8.194 -13.737 1.00 0.00 H new ATOM 0 HA SER A 77 -7.851 -9.721 -15.685 1.00 0.00 H new ATOM 0 HB2 SER A 77 -6.701 -7.894 -16.943 1.00 0.00 H new ATOM 0 HB3 SER A 77 -5.163 -8.431 -16.297 1.00 0.00 H new ATOM 0 HG SER A 77 -6.847 -9.672 -18.202 1.00 0.00 H new ATOM 1248 N THR A 78 -6.411 -11.722 -15.225 1.00 0.00 N ATOM 1249 CA THR A 78 -5.700 -12.915 -14.803 1.00 0.00 C ATOM 1250 C THR A 78 -5.300 -13.730 -16.031 1.00 0.00 C ATOM 1251 O THR A 78 -5.065 -14.937 -15.956 1.00 0.00 O ATOM 1252 CB THR A 78 -6.576 -13.770 -13.866 1.00 0.00 C ATOM 1253 OG1 THR A 78 -7.370 -12.917 -13.028 1.00 0.00 O ATOM 1254 CG2 THR A 78 -5.717 -14.668 -12.986 1.00 0.00 C ATOM 0 H THR A 78 -7.183 -11.900 -15.867 1.00 0.00 H new ATOM 0 HA THR A 78 -4.806 -12.616 -14.256 1.00 0.00 H new ATOM 0 HB THR A 78 -7.222 -14.394 -14.484 1.00 0.00 H new ATOM 0 HG1 THR A 78 -7.155 -13.090 -12.088 1.00 0.00 H new ATOM 0 HG21 THR A 78 -6.359 -15.261 -12.334 1.00 0.00 H new ATOM 0 HG22 THR A 78 -5.124 -15.333 -13.614 1.00 0.00 H new ATOM 0 HG23 THR A 78 -5.052 -14.054 -12.379 1.00 0.00 H new ATOM 1262 N SER A 79 -5.207 -13.047 -17.165 1.00 0.00 N ATOM 1263 CA SER A 79 -4.869 -13.686 -18.424 1.00 0.00 C ATOM 1264 C SER A 79 -3.372 -13.975 -18.503 1.00 0.00 C ATOM 1265 O SER A 79 -2.612 -13.640 -17.588 1.00 0.00 O ATOM 1266 CB SER A 79 -5.285 -12.782 -19.586 1.00 0.00 C ATOM 1267 OG SER A 79 -6.638 -12.378 -19.464 1.00 0.00 O ATOM 0 H SER A 79 -5.363 -12.041 -17.235 1.00 0.00 H new ATOM 0 HA SER A 79 -5.404 -14.633 -18.487 1.00 0.00 H new ATOM 0 HB2 SER A 79 -4.642 -11.903 -19.614 1.00 0.00 H new ATOM 0 HB3 SER A 79 -5.144 -13.310 -20.529 1.00 0.00 H new ATOM 0 HG SER A 79 -6.731 -11.450 -19.765 1.00 0.00 H new ATOM 1273 N LYS A 80 -2.957 -14.596 -19.598 1.00 0.00 N ATOM 1274 CA LYS A 80 -1.547 -14.865 -19.843 1.00 0.00 C ATOM 1275 C LYS A 80 -0.867 -13.607 -20.363 1.00 0.00 C ATOM 1276 O LYS A 80 0.320 -13.377 -20.126 1.00 0.00 O ATOM 1277 CB LYS A 80 -1.393 -15.989 -20.869 1.00 0.00 C ATOM 1278 CG LYS A 80 -1.985 -17.318 -20.425 1.00 0.00 C ATOM 1279 CD LYS A 80 -2.061 -18.304 -21.581 1.00 0.00 C ATOM 1280 CE LYS A 80 -0.692 -18.584 -22.179 1.00 0.00 C ATOM 1281 NZ LYS A 80 -0.786 -19.414 -23.409 1.00 0.00 N ATOM 0 H LYS A 80 -3.581 -14.925 -20.335 1.00 0.00 H new ATOM 0 HA LYS A 80 -1.080 -15.172 -18.907 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -1.869 -15.684 -21.801 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -0.333 -16.129 -21.083 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -1.377 -17.740 -19.624 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -2.983 -17.156 -20.017 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -2.503 -19.238 -21.233 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -2.720 -17.908 -22.353 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -0.198 -17.641 -22.414 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -0.071 -19.094 -21.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 0.168 -19.583 -23.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -1.234 -20.324 -23.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -1.357 -18.916 -24.121 1.00 0.00 H new ATOM 1295 N GLU A 81 -1.634 -12.800 -21.079 1.00 0.00 N ATOM 1296 CA GLU A 81 -1.121 -11.573 -21.666 1.00 0.00 C ATOM 1297 C GLU A 81 -1.876 -10.366 -21.113 1.00 0.00 C ATOM 1298 O GLU A 81 -2.897 -10.532 -20.446 1.00 0.00 O ATOM 1299 CB GLU A 81 -1.252 -11.631 -23.189 1.00 0.00 C ATOM 1300 CG GLU A 81 -0.418 -12.725 -23.826 1.00 0.00 C ATOM 1301 CD GLU A 81 -0.263 -12.534 -25.318 1.00 0.00 C ATOM 1302 OE1 GLU A 81 0.592 -11.715 -25.722 1.00 0.00 O ATOM 1303 OE2 GLU A 81 -0.986 -13.194 -26.092 1.00 0.00 O ATOM 0 H GLU A 81 -2.621 -12.975 -21.268 1.00 0.00 H new ATOM 0 HA GLU A 81 -0.067 -11.469 -21.407 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -2.299 -11.785 -23.450 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -0.957 -10.669 -23.608 1.00 0.00 H new ATOM 0 HG2 GLU A 81 0.567 -12.745 -23.360 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -0.882 -13.692 -23.632 1.00 0.00 H new ATOM 1310 N PRO A 82 -1.380 -9.136 -21.376 1.00 0.00 N ATOM 1311 CA PRO A 82 -2.051 -7.892 -20.954 1.00 0.00 C ATOM 1312 C PRO A 82 -3.336 -7.618 -21.745 1.00 0.00 C ATOM 1313 O PRO A 82 -3.581 -6.496 -22.193 1.00 0.00 O ATOM 1314 CB PRO A 82 -1.004 -6.812 -21.248 1.00 0.00 C ATOM 1315 CG PRO A 82 -0.169 -7.380 -22.339 1.00 0.00 C ATOM 1316 CD PRO A 82 -0.114 -8.858 -22.083 1.00 0.00 C ATOM 0 HA PRO A 82 -2.366 -7.934 -19.911 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -1.475 -5.878 -21.555 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -0.404 -6.591 -20.365 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -0.604 -7.168 -23.316 1.00 0.00 H new ATOM 0 HG3 PRO A 82 0.830 -6.945 -22.334 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -0.041 -9.423 -23.012 1.00 0.00 H new ATOM 0 HD3 PRO A 82 0.751 -9.128 -21.477 1.00 0.00 H new ATOM 1324 N VAL A 83 -4.160 -8.645 -21.891 1.00 0.00 N ATOM 1325 CA VAL A 83 -5.412 -8.541 -22.622 1.00 0.00 C ATOM 1326 C VAL A 83 -6.552 -9.123 -21.796 1.00 0.00 C ATOM 1327 O VAL A 83 -6.314 -9.897 -20.866 1.00 0.00 O ATOM 1328 CB VAL A 83 -5.347 -9.268 -23.987 1.00 0.00 C ATOM 1329 CG1 VAL A 83 -4.348 -8.591 -24.914 1.00 0.00 C ATOM 1330 CG2 VAL A 83 -4.997 -10.738 -23.800 1.00 0.00 C ATOM 0 H VAL A 83 -3.979 -9.572 -21.506 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.590 -7.482 -22.809 1.00 0.00 H new ATOM 0 HB VAL A 83 -6.333 -9.209 -24.449 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -4.320 -9.120 -25.867 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -4.650 -7.557 -25.081 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -3.358 -8.611 -24.459 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -4.957 -11.229 -24.772 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.026 -10.822 -23.311 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -5.757 -11.217 -23.183 1.00 0.00 H new ATOM 1340 N ASP A 84 -7.779 -8.744 -22.149 1.00 0.00 N ATOM 1341 CA ASP A 84 -8.981 -9.192 -21.444 1.00 0.00 C ATOM 1342 C ASP A 84 -8.965 -8.739 -19.987 1.00 0.00 C ATOM 1343 O ASP A 84 -8.396 -9.396 -19.114 1.00 0.00 O ATOM 1344 CB ASP A 84 -9.148 -10.713 -21.532 1.00 0.00 C ATOM 1345 CG ASP A 84 -10.398 -11.201 -20.823 1.00 0.00 C ATOM 1346 OD1 ASP A 84 -11.473 -10.595 -21.011 1.00 0.00 O ATOM 1347 OD2 ASP A 84 -10.316 -12.198 -20.075 1.00 0.00 O ATOM 0 H ASP A 84 -7.969 -8.118 -22.931 1.00 0.00 H new ATOM 0 HA ASP A 84 -9.837 -8.731 -21.936 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -9.188 -11.011 -22.580 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -8.274 -11.197 -21.096 1.00 0.00 H new ATOM 1352 N PHE A 85 -9.572 -7.592 -19.745 1.00 0.00 N ATOM 1353 CA PHE A 85 -9.646 -7.030 -18.407 1.00 0.00 C ATOM 1354 C PHE A 85 -11.095 -6.956 -17.951 1.00 0.00 C ATOM 1355 O PHE A 85 -12.015 -7.148 -18.747 1.00 0.00 O ATOM 1356 CB PHE A 85 -9.029 -5.626 -18.374 1.00 0.00 C ATOM 1357 CG PHE A 85 -7.533 -5.599 -18.516 1.00 0.00 C ATOM 1358 CD1 PHE A 85 -6.938 -5.639 -19.765 1.00 0.00 C ATOM 1359 CD2 PHE A 85 -6.724 -5.521 -17.395 1.00 0.00 C ATOM 1360 CE1 PHE A 85 -5.563 -5.605 -19.893 1.00 0.00 C ATOM 1361 CE2 PHE A 85 -5.348 -5.487 -17.517 1.00 0.00 C ATOM 1362 CZ PHE A 85 -4.767 -5.530 -18.767 1.00 0.00 C ATOM 0 H PHE A 85 -10.025 -7.027 -20.463 1.00 0.00 H new ATOM 0 HA PHE A 85 -9.085 -7.678 -17.734 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -9.468 -5.031 -19.175 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -9.301 -5.145 -17.434 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -7.555 -5.697 -20.649 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -7.174 -5.486 -16.414 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -5.111 -5.637 -20.873 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -4.728 -5.427 -16.635 1.00 0.00 H new ATOM 0 HZ PHE A 85 -3.692 -5.505 -18.865 1.00 0.00 H new ATOM 1372 N GLU A 86 -11.288 -6.698 -16.671 1.00 0.00 N ATOM 1373 CA GLU A 86 -12.611 -6.457 -16.131 1.00 0.00 C ATOM 1374 C GLU A 86 -12.533 -5.349 -15.092 1.00 0.00 C ATOM 1375 O GLU A 86 -11.579 -5.293 -14.313 1.00 0.00 O ATOM 1376 CB GLU A 86 -13.190 -7.733 -15.518 1.00 0.00 C ATOM 1377 CG GLU A 86 -14.661 -7.617 -15.156 1.00 0.00 C ATOM 1378 CD GLU A 86 -15.222 -8.901 -14.587 1.00 0.00 C ATOM 1379 OE1 GLU A 86 -15.369 -9.877 -15.348 1.00 0.00 O ATOM 1380 OE2 GLU A 86 -15.512 -8.943 -13.373 1.00 0.00 O ATOM 0 H GLU A 86 -10.538 -6.650 -15.982 1.00 0.00 H new ATOM 0 HA GLU A 86 -13.275 -6.148 -16.938 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -13.061 -8.556 -16.221 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -12.622 -7.987 -14.623 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -14.791 -6.815 -14.430 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -15.229 -7.338 -16.044 1.00 0.00 H new ATOM 1387 N GLN A 87 -13.519 -4.464 -15.101 1.00 0.00 N ATOM 1388 CA GLN A 87 -13.546 -3.325 -14.191 1.00 0.00 C ATOM 1389 C GLN A 87 -13.635 -3.806 -12.745 1.00 0.00 C ATOM 1390 O GLN A 87 -14.666 -4.326 -12.313 1.00 0.00 O ATOM 1391 CB GLN A 87 -14.723 -2.408 -14.545 1.00 0.00 C ATOM 1392 CG GLN A 87 -14.733 -2.005 -16.015 1.00 0.00 C ATOM 1393 CD GLN A 87 -15.924 -1.149 -16.415 1.00 0.00 C ATOM 1394 OE1 GLN A 87 -16.396 -1.225 -17.551 1.00 0.00 O ATOM 1395 NE2 GLN A 87 -16.390 -0.298 -15.514 1.00 0.00 N ATOM 0 H GLN A 87 -14.318 -4.513 -15.733 1.00 0.00 H new ATOM 0 HA GLN A 87 -12.623 -2.755 -14.297 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -15.658 -2.914 -14.305 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -14.678 -1.511 -13.927 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -13.816 -1.460 -16.238 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -14.725 -2.906 -16.628 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -15.975 -0.263 -14.583 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -17.164 0.322 -15.751 1.00 0.00 H new ATOM 1404 N TRP A 88 -12.539 -3.648 -12.011 1.00 0.00 N ATOM 1405 CA TRP A 88 -12.432 -4.185 -10.661 1.00 0.00 C ATOM 1406 C TRP A 88 -12.751 -3.117 -9.620 1.00 0.00 C ATOM 1407 O TRP A 88 -13.749 -3.220 -8.907 1.00 0.00 O ATOM 1408 CB TRP A 88 -11.022 -4.756 -10.443 1.00 0.00 C ATOM 1409 CG TRP A 88 -10.817 -5.449 -9.123 1.00 0.00 C ATOM 1410 CD1 TRP A 88 -11.751 -6.117 -8.378 1.00 0.00 C ATOM 1411 CD2 TRP A 88 -9.581 -5.565 -8.406 1.00 0.00 C ATOM 1412 NE1 TRP A 88 -11.173 -6.619 -7.234 1.00 0.00 N ATOM 1413 CE2 TRP A 88 -9.843 -6.298 -7.232 1.00 0.00 C ATOM 1414 CE3 TRP A 88 -8.279 -5.114 -8.641 1.00 0.00 C ATOM 1415 CZ2 TRP A 88 -8.851 -6.589 -6.300 1.00 0.00 C ATOM 1416 CZ3 TRP A 88 -7.296 -5.405 -7.713 1.00 0.00 C ATOM 1417 CH2 TRP A 88 -7.586 -6.137 -6.557 1.00 0.00 C ATOM 0 H TRP A 88 -11.709 -3.150 -12.331 1.00 0.00 H new ATOM 0 HA TRP A 88 -13.162 -4.986 -10.543 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -10.803 -5.461 -11.245 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -10.300 -3.944 -10.527 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -12.790 -6.233 -8.648 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -11.657 -7.145 -6.506 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -8.045 -4.549 -9.531 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -9.072 -7.152 -5.405 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -6.287 -5.061 -7.884 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -6.795 -6.350 -5.853 1.00 0.00 H new ATOM 1428 N ILE A 89 -11.915 -2.089 -9.543 1.00 0.00 N ATOM 1429 CA ILE A 89 -12.082 -1.050 -8.534 1.00 0.00 C ATOM 1430 C ILE A 89 -11.841 0.333 -9.123 1.00 0.00 C ATOM 1431 O ILE A 89 -10.713 0.692 -9.436 1.00 0.00 O ATOM 1432 CB ILE A 89 -11.116 -1.247 -7.341 1.00 0.00 C ATOM 1433 CG1 ILE A 89 -11.331 -2.612 -6.689 1.00 0.00 C ATOM 1434 CG2 ILE A 89 -11.306 -0.136 -6.314 1.00 0.00 C ATOM 1435 CD1 ILE A 89 -10.336 -2.920 -5.594 1.00 0.00 C ATOM 0 H ILE A 89 -11.118 -1.952 -10.164 1.00 0.00 H new ATOM 0 HA ILE A 89 -13.110 -1.128 -8.181 1.00 0.00 H new ATOM 0 HB ILE A 89 -10.095 -1.204 -7.719 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -12.339 -2.654 -6.276 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -11.268 -3.385 -7.454 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -10.619 -0.289 -5.481 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -11.103 0.828 -6.779 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -12.332 -0.152 -5.946 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -10.548 -3.904 -5.176 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -9.327 -2.911 -6.006 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -10.414 -2.168 -4.809 1.00 0.00 H new ATOM 1447 N GLU A 90 -12.900 1.103 -9.277 1.00 0.00 N ATOM 1448 CA GLU A 90 -12.770 2.483 -9.709 1.00 0.00 C ATOM 1449 C GLU A 90 -13.033 3.404 -8.529 1.00 0.00 C ATOM 1450 O GLU A 90 -14.180 3.686 -8.186 1.00 0.00 O ATOM 1451 CB GLU A 90 -13.722 2.775 -10.870 1.00 0.00 C ATOM 1452 CG GLU A 90 -13.411 1.941 -12.103 1.00 0.00 C ATOM 1453 CD GLU A 90 -14.313 2.250 -13.279 1.00 0.00 C ATOM 1454 OE1 GLU A 90 -14.564 3.440 -13.545 1.00 0.00 O ATOM 1455 OE2 GLU A 90 -14.738 1.296 -13.966 1.00 0.00 O ATOM 0 H GLU A 90 -13.859 0.798 -9.110 1.00 0.00 H new ATOM 0 HA GLU A 90 -11.757 2.659 -10.070 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -14.747 2.581 -10.553 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -13.663 3.833 -11.127 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -12.374 2.110 -12.395 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -13.503 0.885 -11.851 1.00 0.00 H new ATOM 1462 N LYS A 91 -11.958 3.849 -7.892 1.00 0.00 N ATOM 1463 CA LYS A 91 -12.060 4.567 -6.633 1.00 0.00 C ATOM 1464 C LYS A 91 -11.857 6.063 -6.850 1.00 0.00 C ATOM 1465 O LYS A 91 -11.318 6.487 -7.876 1.00 0.00 O ATOM 1466 CB LYS A 91 -11.029 4.023 -5.641 1.00 0.00 C ATOM 1467 CG LYS A 91 -11.489 4.052 -4.189 1.00 0.00 C ATOM 1468 CD LYS A 91 -10.473 3.384 -3.276 1.00 0.00 C ATOM 1469 CE LYS A 91 -11.054 3.081 -1.900 1.00 0.00 C ATOM 1470 NZ LYS A 91 -11.443 4.309 -1.159 1.00 0.00 N ATOM 0 H LYS A 91 -11.004 3.724 -8.229 1.00 0.00 H new ATOM 0 HA LYS A 91 -13.059 4.418 -6.222 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -10.785 2.996 -5.913 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -10.111 4.604 -5.732 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -11.641 5.084 -3.874 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -12.450 3.546 -4.099 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -10.127 2.458 -3.735 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -9.603 4.031 -3.168 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -11.927 2.437 -2.012 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -10.321 2.525 -1.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -11.622 4.071 -0.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -10.674 5.007 -1.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -12.306 4.710 -1.580 1.00 0.00 H new ATOM 1484 N ASP A 92 -12.296 6.854 -5.884 1.00 0.00 N ATOM 1485 CA ASP A 92 -12.217 8.305 -5.982 1.00 0.00 C ATOM 1486 C ASP A 92 -11.207 8.852 -4.989 1.00 0.00 C ATOM 1487 O ASP A 92 -11.398 8.747 -3.779 1.00 0.00 O ATOM 1488 CB ASP A 92 -13.584 8.935 -5.708 1.00 0.00 C ATOM 1489 CG ASP A 92 -14.663 8.419 -6.634 1.00 0.00 C ATOM 1490 OD1 ASP A 92 -15.297 7.392 -6.304 1.00 0.00 O ATOM 1491 OD2 ASP A 92 -14.881 9.033 -7.701 1.00 0.00 O ATOM 0 H ASP A 92 -12.713 6.514 -5.018 1.00 0.00 H new ATOM 0 HA ASP A 92 -11.899 8.557 -6.994 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -13.871 8.735 -4.676 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -13.508 10.017 -5.813 1.00 0.00 H new ATOM 1496 N LEU A 93 -10.134 9.427 -5.497 1.00 0.00 N ATOM 1497 CA LEU A 93 -9.127 10.032 -4.641 1.00 0.00 C ATOM 1498 C LEU A 93 -9.278 11.546 -4.670 1.00 0.00 C ATOM 1499 O LEU A 93 -9.224 12.161 -5.732 1.00 0.00 O ATOM 1500 CB LEU A 93 -7.719 9.612 -5.074 1.00 0.00 C ATOM 1501 CG LEU A 93 -7.442 8.107 -4.984 1.00 0.00 C ATOM 1502 CD1 LEU A 93 -6.009 7.802 -5.386 1.00 0.00 C ATOM 1503 CD2 LEU A 93 -7.719 7.590 -3.580 1.00 0.00 C ATOM 0 H LEU A 93 -9.936 9.489 -6.496 1.00 0.00 H new ATOM 0 HA LEU A 93 -9.273 9.683 -3.619 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -7.558 9.936 -6.102 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -6.992 10.139 -4.456 1.00 0.00 H new ATOM 0 HG LEU A 93 -8.112 7.597 -5.676 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -5.832 6.729 -5.316 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -5.841 8.131 -6.411 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -5.325 8.327 -4.720 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -7.516 6.520 -3.540 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -7.077 8.109 -2.868 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -8.763 7.771 -3.325 1.00 0.00 H new ATOM 1515 N VAL A 94 -9.486 12.129 -3.498 1.00 0.00 N ATOM 1516 CA VAL A 94 -9.801 13.549 -3.384 1.00 0.00 C ATOM 1517 C VAL A 94 -8.536 14.404 -3.460 1.00 0.00 C ATOM 1518 O VAL A 94 -7.445 13.936 -3.151 1.00 0.00 O ATOM 1519 CB VAL A 94 -10.550 13.839 -2.058 1.00 0.00 C ATOM 1520 CG1 VAL A 94 -11.056 15.275 -2.002 1.00 0.00 C ATOM 1521 CG2 VAL A 94 -11.701 12.863 -1.872 1.00 0.00 C ATOM 0 H VAL A 94 -9.442 11.637 -2.605 1.00 0.00 H new ATOM 0 HA VAL A 94 -10.447 13.811 -4.222 1.00 0.00 H new ATOM 0 HB VAL A 94 -9.840 13.706 -1.242 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -11.576 15.441 -1.058 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -10.212 15.961 -2.077 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -11.742 15.451 -2.830 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -12.216 13.081 -0.936 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -12.400 12.962 -2.702 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -11.314 11.845 -1.844 1.00 0.00 H new ATOM 1531 N HIS A 95 -8.692 15.649 -3.891 1.00 0.00 N ATOM 1532 CA HIS A 95 -7.584 16.598 -3.939 1.00 0.00 C ATOM 1533 C HIS A 95 -7.050 16.858 -2.535 1.00 0.00 C ATOM 1534 O HIS A 95 -7.660 17.595 -1.760 1.00 0.00 O ATOM 1535 CB HIS A 95 -8.047 17.918 -4.586 1.00 0.00 C ATOM 1536 CG HIS A 95 -7.012 19.013 -4.600 1.00 0.00 C ATOM 1537 ND1 HIS A 95 -6.379 19.440 -5.750 1.00 0.00 N ATOM 1538 CD2 HIS A 95 -6.531 19.792 -3.602 1.00 0.00 C ATOM 1539 CE1 HIS A 95 -5.554 20.429 -5.453 1.00 0.00 C ATOM 1540 NE2 HIS A 95 -5.628 20.663 -4.157 1.00 0.00 N ATOM 0 H HIS A 95 -9.582 16.029 -4.215 1.00 0.00 H new ATOM 0 HA HIS A 95 -6.782 16.172 -4.543 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -8.354 17.715 -5.612 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -8.928 18.277 -4.054 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -6.808 19.737 -2.559 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -4.925 20.957 -6.154 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -5.101 21.374 -3.651 1.00 0.00 H new ATOM 1548 N THR A 96 -5.929 16.241 -2.200 1.00 0.00 N ATOM 1549 CA THR A 96 -5.280 16.509 -0.932 1.00 0.00 C ATOM 1550 C THR A 96 -3.941 17.199 -1.136 1.00 0.00 C ATOM 1551 O THR A 96 -2.995 16.622 -1.671 1.00 0.00 O ATOM 1552 CB THR A 96 -5.074 15.233 -0.106 1.00 0.00 C ATOM 1553 OG1 THR A 96 -4.412 14.230 -0.890 1.00 0.00 O ATOM 1554 CG2 THR A 96 -6.404 14.700 0.401 1.00 0.00 C ATOM 0 H THR A 96 -5.453 15.555 -2.786 1.00 0.00 H new ATOM 0 HA THR A 96 -5.947 17.170 -0.379 1.00 0.00 H new ATOM 0 HB THR A 96 -4.449 15.482 0.751 1.00 0.00 H new ATOM 0 HG1 THR A 96 -3.710 14.648 -1.431 1.00 0.00 H new ATOM 0 HG21 THR A 96 -6.235 13.795 0.984 1.00 0.00 H new ATOM 0 HG22 THR A 96 -6.882 15.452 1.029 1.00 0.00 H new ATOM 0 HG23 THR A 96 -7.051 14.470 -0.446 1.00 0.00 H new ATOM 1562 N GLU A 97 -3.887 18.447 -0.727 1.00 0.00 N ATOM 1563 CA GLU A 97 -2.671 19.235 -0.818 1.00 0.00 C ATOM 1564 C GLU A 97 -2.036 19.362 0.557 1.00 0.00 C ATOM 1565 O GLU A 97 -2.722 19.654 1.539 1.00 0.00 O ATOM 1566 CB GLU A 97 -2.960 20.608 -1.429 1.00 0.00 C ATOM 1567 CG GLU A 97 -4.142 21.332 -0.804 1.00 0.00 C ATOM 1568 CD GLU A 97 -4.409 22.666 -1.466 1.00 0.00 C ATOM 1569 OE1 GLU A 97 -5.052 22.682 -2.539 1.00 0.00 O ATOM 1570 OE2 GLU A 97 -3.962 23.700 -0.927 1.00 0.00 O ATOM 0 H GLU A 97 -4.680 18.946 -0.323 1.00 0.00 H new ATOM 0 HA GLU A 97 -1.966 18.728 -1.476 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -2.072 21.232 -1.329 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -3.146 20.487 -2.496 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -5.031 20.706 -0.880 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -3.951 21.487 0.258 1.00 0.00 H new ATOM 1577 N GLY A 98 -0.733 19.124 0.630 1.00 0.00 N ATOM 1578 CA GLY A 98 -0.046 19.139 1.907 1.00 0.00 C ATOM 1579 C GLY A 98 -0.390 17.929 2.757 1.00 0.00 C ATOM 1580 O GLY A 98 -0.044 17.867 3.937 1.00 0.00 O ATOM 0 H GLY A 98 -0.139 18.921 -0.174 1.00 0.00 H new ATOM 0 HA2 GLY A 98 1.030 19.168 1.738 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -0.309 20.048 2.448 1.00 0.00 H new ATOM 1584 N GLN A 99 -1.073 16.968 2.152 1.00 0.00 N ATOM 1585 CA GLN A 99 -1.480 15.759 2.848 1.00 0.00 C ATOM 1586 C GLN A 99 -1.319 14.546 1.943 1.00 0.00 C ATOM 1587 O GLN A 99 -1.788 14.546 0.803 1.00 0.00 O ATOM 1588 CB GLN A 99 -2.937 15.877 3.316 1.00 0.00 C ATOM 1589 CG GLN A 99 -3.492 14.588 3.911 1.00 0.00 C ATOM 1590 CD GLN A 99 -4.931 14.709 4.381 1.00 0.00 C ATOM 1591 OE1 GLN A 99 -5.346 14.023 5.317 1.00 0.00 O ATOM 1592 NE2 GLN A 99 -5.703 15.581 3.750 1.00 0.00 N ATOM 0 H GLN A 99 -1.358 17.004 1.173 1.00 0.00 H new ATOM 0 HA GLN A 99 -0.840 15.632 3.721 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -3.008 16.671 4.060 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -3.558 16.175 2.471 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -3.427 13.795 3.166 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -2.867 14.287 4.752 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -5.326 16.132 2.979 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -6.675 15.701 4.035 1.00 0.00 H new ATOM 1601 N LEU A 100 -0.648 13.523 2.452 1.00 0.00 N ATOM 1602 CA LEU A 100 -0.492 12.277 1.723 1.00 0.00 C ATOM 1603 C LEU A 100 -1.728 11.416 1.914 1.00 0.00 C ATOM 1604 O LEU A 100 -2.048 11.014 3.032 1.00 0.00 O ATOM 1605 CB LEU A 100 0.753 11.517 2.194 1.00 0.00 C ATOM 1606 CG LEU A 100 2.090 12.181 1.866 1.00 0.00 C ATOM 1607 CD1 LEU A 100 3.243 11.374 2.448 1.00 0.00 C ATOM 1608 CD2 LEU A 100 2.248 12.326 0.362 1.00 0.00 C ATOM 0 H LEU A 100 -0.203 13.534 3.370 1.00 0.00 H new ATOM 0 HA LEU A 100 -0.368 12.509 0.665 1.00 0.00 H new ATOM 0 HB2 LEU A 100 0.689 11.382 3.274 1.00 0.00 H new ATOM 0 HB3 LEU A 100 0.741 10.523 1.748 1.00 0.00 H new ATOM 0 HG LEU A 100 2.106 13.174 2.315 1.00 0.00 H new ATOM 0 HD11 LEU A 100 4.187 11.861 2.205 1.00 0.00 H new ATOM 0 HD12 LEU A 100 3.134 11.313 3.531 1.00 0.00 H new ATOM 0 HD13 LEU A 100 3.234 10.369 2.025 1.00 0.00 H new ATOM 0 HD21 LEU A 100 3.204 12.800 0.141 1.00 0.00 H new ATOM 0 HD22 LEU A 100 2.215 11.341 -0.104 1.00 0.00 H new ATOM 0 HD23 LEU A 100 1.438 12.941 -0.031 1.00 0.00 H new ATOM 1620 N GLN A 101 -2.436 11.158 0.830 1.00 0.00 N ATOM 1621 CA GLN A 101 -3.639 10.355 0.898 1.00 0.00 C ATOM 1622 C GLN A 101 -3.282 8.884 0.770 1.00 0.00 C ATOM 1623 O GLN A 101 -3.258 8.326 -0.328 1.00 0.00 O ATOM 1624 CB GLN A 101 -4.626 10.768 -0.192 1.00 0.00 C ATOM 1625 CG GLN A 101 -6.035 10.243 0.028 1.00 0.00 C ATOM 1626 CD GLN A 101 -7.004 10.742 -1.022 1.00 0.00 C ATOM 1627 OE1 GLN A 101 -7.999 10.085 -1.334 1.00 0.00 O ATOM 1628 NE2 GLN A 101 -6.713 11.904 -1.582 1.00 0.00 N ATOM 0 H GLN A 101 -2.199 11.492 -0.104 1.00 0.00 H new ATOM 0 HA GLN A 101 -4.118 10.519 1.863 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -4.658 11.856 -0.247 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -4.261 10.410 -1.155 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -6.020 9.153 0.017 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -6.384 10.547 1.015 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -5.879 12.415 -1.293 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -7.323 12.290 -2.303 1.00 0.00 H new ATOM 1637 N ASN A 102 -2.953 8.279 1.898 1.00 0.00 N ATOM 1638 CA ASN A 102 -2.609 6.870 1.937 1.00 0.00 C ATOM 1639 C ASN A 102 -3.873 6.031 1.951 1.00 0.00 C ATOM 1640 O ASN A 102 -4.479 5.820 3.002 1.00 0.00 O ATOM 1641 CB ASN A 102 -1.746 6.550 3.164 1.00 0.00 C ATOM 1642 CG ASN A 102 -0.366 7.178 3.088 1.00 0.00 C ATOM 1643 OD1 ASN A 102 -0.179 8.234 2.486 1.00 0.00 O ATOM 1644 ND2 ASN A 102 0.612 6.539 3.711 1.00 0.00 N ATOM 0 H ASN A 102 -2.917 8.746 2.804 1.00 0.00 H new ATOM 0 HA ASN A 102 -2.030 6.631 1.045 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -2.253 6.903 4.062 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -1.644 5.469 3.260 1.00 0.00 H new ATOM 0 HD21 ASN A 102 1.558 6.921 3.702 1.00 0.00 H new ATOM 0 HD22 ASN A 102 0.420 5.665 4.200 1.00 0.00 H new ATOM 1651 N GLU A 103 -4.272 5.571 0.783 1.00 0.00 N ATOM 1652 CA GLU A 103 -5.498 4.811 0.637 1.00 0.00 C ATOM 1653 C GLU A 103 -5.214 3.318 0.761 1.00 0.00 C ATOM 1654 O GLU A 103 -4.421 2.761 -0.004 1.00 0.00 O ATOM 1655 CB GLU A 103 -6.140 5.113 -0.718 1.00 0.00 C ATOM 1656 CG GLU A 103 -7.477 4.427 -0.935 1.00 0.00 C ATOM 1657 CD GLU A 103 -8.552 4.928 0.006 1.00 0.00 C ATOM 1658 OE1 GLU A 103 -8.614 4.452 1.157 1.00 0.00 O ATOM 1659 OE2 GLU A 103 -9.359 5.784 -0.416 1.00 0.00 O ATOM 0 H GLU A 103 -3.760 5.712 -0.088 1.00 0.00 H new ATOM 0 HA GLU A 103 -6.187 5.101 1.430 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -6.277 6.190 -0.812 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -5.455 4.809 -1.509 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -7.799 4.585 -1.964 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -7.355 3.352 -0.801 1.00 0.00 H new ATOM 1666 N GLU A 104 -5.844 2.684 1.736 1.00 0.00 N ATOM 1667 CA GLU A 104 -5.697 1.254 1.934 1.00 0.00 C ATOM 1668 C GLU A 104 -6.910 0.528 1.369 1.00 0.00 C ATOM 1669 O GLU A 104 -7.970 0.470 1.995 1.00 0.00 O ATOM 1670 CB GLU A 104 -5.513 0.936 3.420 1.00 0.00 C ATOM 1671 CG GLU A 104 -5.270 -0.537 3.704 1.00 0.00 C ATOM 1672 CD GLU A 104 -4.831 -0.792 5.131 1.00 0.00 C ATOM 1673 OE1 GLU A 104 -3.613 -0.730 5.397 1.00 0.00 O ATOM 1674 OE2 GLU A 104 -5.695 -1.056 5.991 1.00 0.00 O ATOM 0 H GLU A 104 -6.464 3.141 2.405 1.00 0.00 H new ATOM 0 HA GLU A 104 -4.808 0.910 1.405 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -4.673 1.514 3.805 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -6.400 1.260 3.964 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -6.183 -1.097 3.504 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -4.509 -0.914 3.021 1.00 0.00 H new ATOM 1681 N ILE A 105 -6.751 -0.005 0.170 1.00 0.00 N ATOM 1682 CA ILE A 105 -7.842 -0.665 -0.524 1.00 0.00 C ATOM 1683 C ILE A 105 -7.936 -2.129 -0.115 1.00 0.00 C ATOM 1684 O ILE A 105 -7.097 -2.944 -0.490 1.00 0.00 O ATOM 1685 CB ILE A 105 -7.672 -0.567 -2.057 1.00 0.00 C ATOM 1686 CG1 ILE A 105 -7.610 0.900 -2.494 1.00 0.00 C ATOM 1687 CG2 ILE A 105 -8.810 -1.284 -2.769 1.00 0.00 C ATOM 1688 CD1 ILE A 105 -7.455 1.084 -3.990 1.00 0.00 C ATOM 0 H ILE A 105 -5.871 0.007 -0.345 1.00 0.00 H new ATOM 0 HA ILE A 105 -8.763 -0.155 -0.242 1.00 0.00 H new ATOM 0 HB ILE A 105 -6.735 -1.052 -2.331 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -8.518 1.406 -2.167 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -6.775 1.385 -1.989 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -8.672 -1.204 -3.847 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -8.814 -2.335 -2.481 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -9.759 -0.827 -2.489 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -7.419 2.148 -4.224 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -6.532 0.608 -4.321 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -8.303 0.629 -4.502 1.00 0.00 H new ATOM 1700 N VAL A 106 -8.943 -2.455 0.675 1.00 0.00 N ATOM 1701 CA VAL A 106 -9.163 -3.833 1.084 1.00 0.00 C ATOM 1702 C VAL A 106 -9.997 -4.558 0.032 1.00 0.00 C ATOM 1703 O VAL A 106 -11.211 -4.368 -0.051 1.00 0.00 O ATOM 1704 CB VAL A 106 -9.867 -3.921 2.456 1.00 0.00 C ATOM 1705 CG1 VAL A 106 -9.970 -5.369 2.919 1.00 0.00 C ATOM 1706 CG2 VAL A 106 -9.131 -3.078 3.489 1.00 0.00 C ATOM 0 H VAL A 106 -9.620 -1.788 1.046 1.00 0.00 H new ATOM 0 HA VAL A 106 -8.187 -4.309 1.179 1.00 0.00 H new ATOM 0 HB VAL A 106 -10.877 -3.527 2.347 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -10.469 -5.407 3.887 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -10.544 -5.943 2.192 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -8.970 -5.794 3.009 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -9.641 -3.152 4.449 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -8.108 -3.440 3.593 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -9.116 -2.037 3.165 1.00 0.00 H new ATOM 1716 N ALA A 107 -9.334 -5.365 -0.782 1.00 0.00 N ATOM 1717 CA ALA A 107 -9.990 -6.058 -1.879 1.00 0.00 C ATOM 1718 C ALA A 107 -9.384 -7.436 -2.074 1.00 0.00 C ATOM 1719 O ALA A 107 -8.228 -7.662 -1.731 1.00 0.00 O ATOM 1720 CB ALA A 107 -9.864 -5.248 -3.156 1.00 0.00 C ATOM 0 H ALA A 107 -8.335 -5.557 -0.702 1.00 0.00 H new ATOM 0 HA ALA A 107 -11.046 -6.174 -1.635 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -10.358 -5.775 -3.972 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -10.333 -4.274 -3.017 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -8.810 -5.112 -3.398 1.00 0.00 H new ATOM 1726 N HIS A 108 -10.172 -8.357 -2.606 1.00 0.00 N ATOM 1727 CA HIS A 108 -9.688 -9.698 -2.900 1.00 0.00 C ATOM 1728 C HIS A 108 -9.718 -9.948 -4.395 1.00 0.00 C ATOM 1729 O HIS A 108 -10.750 -9.768 -5.036 1.00 0.00 O ATOM 1730 CB HIS A 108 -10.532 -10.757 -2.190 1.00 0.00 C ATOM 1731 CG HIS A 108 -10.405 -10.738 -0.701 1.00 0.00 C ATOM 1732 ND1 HIS A 108 -11.460 -10.995 0.143 1.00 0.00 N ATOM 1733 CD2 HIS A 108 -9.333 -10.515 0.095 1.00 0.00 C ATOM 1734 CE1 HIS A 108 -11.047 -10.927 1.394 1.00 0.00 C ATOM 1735 NE2 HIS A 108 -9.759 -10.638 1.393 1.00 0.00 N ATOM 0 H HIS A 108 -11.152 -8.201 -2.844 1.00 0.00 H new ATOM 0 HA HIS A 108 -8.663 -9.770 -2.537 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -11.579 -10.611 -2.457 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -10.244 -11.742 -2.556 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -8.330 -10.283 -0.231 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -11.659 -11.082 2.270 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -9.176 -10.525 2.222 1.00 0.00 H new ATOM 1743 N GLY A 109 -8.589 -10.347 -4.950 1.00 0.00 N ATOM 1744 CA GLY A 109 -8.542 -10.655 -6.360 1.00 0.00 C ATOM 1745 C GLY A 109 -7.285 -11.390 -6.757 1.00 0.00 C ATOM 1746 O GLY A 109 -6.184 -11.004 -6.372 1.00 0.00 O ATOM 0 H GLY A 109 -7.706 -10.463 -4.452 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -9.410 -11.260 -6.624 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -8.612 -9.730 -6.932 1.00 0.00 H new ATOM 1750 N SER A 110 -7.451 -12.468 -7.506 1.00 0.00 N ATOM 1751 CA SER A 110 -6.319 -13.177 -8.077 1.00 0.00 C ATOM 1752 C SER A 110 -6.013 -12.606 -9.453 1.00 0.00 C ATOM 1753 O SER A 110 -6.776 -12.800 -10.401 1.00 0.00 O ATOM 1754 CB SER A 110 -6.625 -14.671 -8.173 1.00 0.00 C ATOM 1755 OG SER A 110 -6.991 -15.193 -6.904 1.00 0.00 O ATOM 0 H SER A 110 -8.360 -12.871 -7.733 1.00 0.00 H new ATOM 0 HA SER A 110 -5.448 -13.049 -7.434 1.00 0.00 H new ATOM 0 HB2 SER A 110 -7.433 -14.836 -8.886 1.00 0.00 H new ATOM 0 HB3 SER A 110 -5.752 -15.202 -8.552 1.00 0.00 H new ATOM 0 HG SER A 110 -7.184 -16.150 -6.987 1.00 0.00 H new ATOM 1761 N ALA A 111 -4.913 -11.883 -9.563 1.00 0.00 N ATOM 1762 CA ALA A 111 -4.605 -11.178 -10.794 1.00 0.00 C ATOM 1763 C ALA A 111 -3.175 -11.425 -11.240 1.00 0.00 C ATOM 1764 O ALA A 111 -2.283 -11.653 -10.423 1.00 0.00 O ATOM 1765 CB ALA A 111 -4.850 -9.687 -10.621 1.00 0.00 C ATOM 0 H ALA A 111 -4.223 -11.769 -8.821 1.00 0.00 H new ATOM 0 HA ALA A 111 -5.266 -11.564 -11.570 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -4.615 -9.169 -11.551 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -5.896 -9.517 -10.365 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -4.215 -9.304 -9.822 1.00 0.00 H new ATOM 1771 N THR A 112 -2.975 -11.394 -12.544 1.00 0.00 N ATOM 1772 CA THR A 112 -1.652 -11.490 -13.125 1.00 0.00 C ATOM 1773 C THR A 112 -1.242 -10.134 -13.687 1.00 0.00 C ATOM 1774 O THR A 112 -0.055 -9.797 -13.754 1.00 0.00 O ATOM 1775 CB THR A 112 -1.622 -12.551 -14.241 1.00 0.00 C ATOM 1776 OG1 THR A 112 -2.714 -12.331 -15.139 1.00 0.00 O ATOM 1777 CG2 THR A 112 -1.716 -13.956 -13.663 1.00 0.00 C ATOM 0 H THR A 112 -3.725 -11.302 -13.229 1.00 0.00 H new ATOM 0 HA THR A 112 -0.950 -11.790 -12.347 1.00 0.00 H new ATOM 0 HB THR A 112 -0.676 -12.461 -14.775 1.00 0.00 H new ATOM 0 HG1 THR A 112 -2.559 -12.827 -15.970 1.00 0.00 H new ATOM 0 HG21 THR A 112 -1.693 -14.685 -14.473 1.00 0.00 H new ATOM 0 HG22 THR A 112 -0.874 -14.131 -12.993 1.00 0.00 H new ATOM 0 HG23 THR A 112 -2.649 -14.060 -13.108 1.00 0.00 H new ATOM 1785 N TYR A 113 -2.250 -9.356 -14.074 1.00 0.00 N ATOM 1786 CA TYR A 113 -2.053 -8.022 -14.623 1.00 0.00 C ATOM 1787 C TYR A 113 -3.020 -7.038 -13.969 1.00 0.00 C ATOM 1788 O TYR A 113 -4.227 -7.284 -13.921 1.00 0.00 O ATOM 1789 CB TYR A 113 -2.276 -8.022 -16.145 1.00 0.00 C ATOM 1790 CG TYR A 113 -1.270 -8.842 -16.927 1.00 0.00 C ATOM 1791 CD1 TYR A 113 -1.386 -10.223 -17.016 1.00 0.00 C ATOM 1792 CD2 TYR A 113 -0.203 -8.233 -17.574 1.00 0.00 C ATOM 1793 CE1 TYR A 113 -0.468 -10.973 -17.724 1.00 0.00 C ATOM 1794 CE2 TYR A 113 0.720 -8.978 -18.283 1.00 0.00 C ATOM 1795 CZ TYR A 113 0.583 -10.347 -18.355 1.00 0.00 C ATOM 1796 OH TYR A 113 1.505 -11.092 -19.054 1.00 0.00 O ATOM 0 H TYR A 113 -3.229 -9.636 -14.014 1.00 0.00 H new ATOM 0 HA TYR A 113 -1.027 -7.717 -14.416 1.00 0.00 H new ATOM 0 HB2 TYR A 113 -3.276 -8.402 -16.353 1.00 0.00 H new ATOM 0 HB3 TYR A 113 -2.245 -6.993 -16.504 1.00 0.00 H new ATOM 0 HD1 TYR A 113 -2.209 -10.719 -16.523 1.00 0.00 H new ATOM 0 HD2 TYR A 113 -0.093 -7.160 -17.522 1.00 0.00 H new ATOM 0 HE1 TYR A 113 -0.574 -12.046 -17.782 1.00 0.00 H new ATOM 0 HE2 TYR A 113 1.546 -8.489 -18.779 1.00 0.00 H new ATOM 0 HH TYR A 113 1.074 -11.898 -19.408 1.00 0.00 H new ATOM 1806 N LEU A 114 -2.490 -5.936 -13.461 1.00 0.00 N ATOM 1807 CA LEU A 114 -3.321 -4.875 -12.901 1.00 0.00 C ATOM 1808 C LEU A 114 -3.190 -3.614 -13.735 1.00 0.00 C ATOM 1809 O LEU A 114 -2.084 -3.169 -14.027 1.00 0.00 O ATOM 1810 CB LEU A 114 -2.930 -4.570 -11.455 1.00 0.00 C ATOM 1811 CG LEU A 114 -3.307 -5.637 -10.429 1.00 0.00 C ATOM 1812 CD1 LEU A 114 -2.895 -5.194 -9.036 1.00 0.00 C ATOM 1813 CD2 LEU A 114 -4.803 -5.922 -10.477 1.00 0.00 C ATOM 0 H LEU A 114 -1.488 -5.751 -13.424 1.00 0.00 H new ATOM 0 HA LEU A 114 -4.355 -5.219 -12.915 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -1.852 -4.417 -11.414 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -3.397 -3.629 -11.162 1.00 0.00 H new ATOM 0 HG LEU A 114 -2.776 -6.557 -10.674 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -3.169 -5.963 -8.314 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -1.817 -5.038 -9.008 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -3.403 -4.263 -8.785 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -5.052 -6.685 -9.739 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -5.355 -5.008 -10.255 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -5.074 -6.277 -11.471 1.00 0.00 H new ATOM 1825 N ARG A 115 -4.315 -3.038 -14.116 1.00 0.00 N ATOM 1826 CA ARG A 115 -4.309 -1.860 -14.968 1.00 0.00 C ATOM 1827 C ARG A 115 -4.780 -0.635 -14.194 1.00 0.00 C ATOM 1828 O ARG A 115 -5.950 -0.533 -13.834 1.00 0.00 O ATOM 1829 CB ARG A 115 -5.205 -2.100 -16.185 1.00 0.00 C ATOM 1830 CG ARG A 115 -5.135 -1.009 -17.239 1.00 0.00 C ATOM 1831 CD ARG A 115 -6.083 -1.307 -18.387 1.00 0.00 C ATOM 1832 NE ARG A 115 -5.955 -0.347 -19.481 1.00 0.00 N ATOM 1833 CZ ARG A 115 -6.919 -0.102 -20.366 1.00 0.00 C ATOM 1834 NH1 ARG A 115 -8.104 -0.687 -20.239 1.00 0.00 N ATOM 1835 NH2 ARG A 115 -6.707 0.747 -21.360 1.00 0.00 N ATOM 0 H ARG A 115 -5.244 -3.365 -13.850 1.00 0.00 H new ATOM 0 HA ARG A 115 -3.290 -1.675 -15.307 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -4.928 -3.050 -16.643 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -6.237 -2.197 -15.848 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -5.389 -0.048 -16.792 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -4.116 -0.926 -17.616 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -5.888 -2.311 -18.764 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -7.109 -1.299 -18.019 1.00 0.00 H new ATOM 0 HE ARG A 115 -5.077 0.165 -19.572 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -8.277 -1.325 -19.462 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -8.841 -0.498 -20.918 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -5.804 1.214 -21.448 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -7.446 0.934 -22.037 1.00 0.00 H new ATOM 1849 N PHE A 116 -3.860 0.281 -13.927 1.00 0.00 N ATOM 1850 CA PHE A 116 -4.190 1.518 -13.234 1.00 0.00 C ATOM 1851 C PHE A 116 -4.416 2.641 -14.236 1.00 0.00 C ATOM 1852 O PHE A 116 -3.486 3.078 -14.915 1.00 0.00 O ATOM 1853 CB PHE A 116 -3.079 1.911 -12.257 1.00 0.00 C ATOM 1854 CG PHE A 116 -3.098 1.156 -10.957 1.00 0.00 C ATOM 1855 CD1 PHE A 116 -2.535 -0.107 -10.855 1.00 0.00 C ATOM 1856 CD2 PHE A 116 -3.672 1.722 -9.830 1.00 0.00 C ATOM 1857 CE1 PHE A 116 -2.547 -0.791 -9.653 1.00 0.00 C ATOM 1858 CE2 PHE A 116 -3.685 1.045 -8.626 1.00 0.00 C ATOM 1859 CZ PHE A 116 -3.123 -0.212 -8.536 1.00 0.00 C ATOM 0 H PHE A 116 -2.876 0.190 -14.181 1.00 0.00 H new ATOM 0 HA PHE A 116 -5.107 1.353 -12.668 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -2.115 1.754 -12.740 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -3.159 2.977 -12.045 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -2.082 -0.562 -11.724 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -4.115 2.705 -9.894 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -2.108 -1.775 -9.586 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -4.135 1.499 -7.756 1.00 0.00 H new ATOM 0 HZ PHE A 116 -3.133 -0.743 -7.596 1.00 0.00 H new ATOM 1869 N ILE A 117 -5.658 3.081 -14.340 1.00 0.00 N ATOM 1870 CA ILE A 117 -6.018 4.163 -15.238 1.00 0.00 C ATOM 1871 C ILE A 117 -6.483 5.382 -14.456 1.00 0.00 C ATOM 1872 O ILE A 117 -7.607 5.424 -13.959 1.00 0.00 O ATOM 1873 CB ILE A 117 -7.149 3.757 -16.207 1.00 0.00 C ATOM 1874 CG1 ILE A 117 -6.810 2.449 -16.921 1.00 0.00 C ATOM 1875 CG2 ILE A 117 -7.397 4.868 -17.221 1.00 0.00 C ATOM 1876 CD1 ILE A 117 -7.935 1.933 -17.791 1.00 0.00 C ATOM 0 H ILE A 117 -6.441 2.701 -13.808 1.00 0.00 H new ATOM 0 HA ILE A 117 -5.121 4.398 -15.811 1.00 0.00 H new ATOM 0 HB ILE A 117 -8.059 3.601 -15.627 1.00 0.00 H new ATOM 0 HG12 ILE A 117 -5.923 2.599 -17.537 1.00 0.00 H new ATOM 0 HG13 ILE A 117 -6.558 1.692 -16.178 1.00 0.00 H new ATOM 0 HG21 ILE A 117 -8.197 4.570 -17.899 1.00 0.00 H new ATOM 0 HG22 ILE A 117 -7.685 5.780 -16.698 1.00 0.00 H new ATOM 0 HG23 ILE A 117 -6.486 5.050 -17.792 1.00 0.00 H new ATOM 0 HD11 ILE A 117 -7.628 1.002 -18.268 1.00 0.00 H new ATOM 0 HD12 ILE A 117 -8.817 1.752 -17.176 1.00 0.00 H new ATOM 0 HD13 ILE A 117 -8.172 2.672 -18.556 1.00 0.00 H new ATOM 1888 N ILE A 118 -5.615 6.364 -14.331 1.00 0.00 N ATOM 1889 CA ILE A 118 -5.995 7.638 -13.765 1.00 0.00 C ATOM 1890 C ILE A 118 -6.664 8.463 -14.857 1.00 0.00 C ATOM 1891 O ILE A 118 -5.987 9.106 -15.661 1.00 0.00 O ATOM 1892 CB ILE A 118 -4.784 8.414 -13.202 1.00 0.00 C ATOM 1893 CG1 ILE A 118 -3.909 7.499 -12.341 1.00 0.00 C ATOM 1894 CG2 ILE A 118 -5.261 9.603 -12.383 1.00 0.00 C ATOM 1895 CD1 ILE A 118 -2.646 8.169 -11.841 1.00 0.00 C ATOM 0 H ILE A 118 -4.637 6.302 -14.616 1.00 0.00 H new ATOM 0 HA ILE A 118 -6.675 7.456 -12.933 1.00 0.00 H new ATOM 0 HB ILE A 118 -4.186 8.775 -14.039 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -4.490 7.152 -11.486 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -3.638 6.617 -12.921 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -4.400 10.143 -11.991 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -5.849 10.268 -13.015 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -5.877 9.251 -11.555 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -2.074 7.464 -11.238 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -2.044 8.491 -12.691 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -2.909 9.035 -11.234 1.00 0.00 H new ATOM 1907 N VAL A 119 -7.990 8.391 -14.911 1.00 0.00 N ATOM 1908 CA VAL A 119 -8.756 9.051 -15.962 1.00 0.00 C ATOM 1909 C VAL A 119 -8.490 10.552 -15.959 1.00 0.00 C ATOM 1910 O VAL A 119 -8.272 11.159 -17.007 1.00 0.00 O ATOM 1911 CB VAL A 119 -10.271 8.793 -15.804 1.00 0.00 C ATOM 1912 CG1 VAL A 119 -11.053 9.428 -16.945 1.00 0.00 C ATOM 1913 CG2 VAL A 119 -10.553 7.298 -15.729 1.00 0.00 C ATOM 0 H VAL A 119 -8.558 7.880 -14.236 1.00 0.00 H new ATOM 0 HA VAL A 119 -8.432 8.630 -16.914 1.00 0.00 H new ATOM 0 HB VAL A 119 -10.598 9.254 -14.872 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -12.117 9.232 -16.810 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -10.880 10.504 -16.950 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -10.723 9.003 -17.893 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -11.625 7.135 -15.618 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -10.206 6.816 -16.643 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -10.030 6.872 -14.873 1.00 0.00 H new ATOM 1923 N SER A 120 -8.486 11.130 -14.771 1.00 0.00 N ATOM 1924 CA SER A 120 -8.214 12.543 -14.610 1.00 0.00 C ATOM 1925 C SER A 120 -7.770 12.809 -13.177 1.00 0.00 C ATOM 1926 O SER A 120 -7.701 11.884 -12.362 1.00 0.00 O ATOM 1927 CB SER A 120 -9.457 13.369 -14.959 1.00 0.00 C ATOM 1928 OG SER A 120 -9.146 14.750 -15.055 1.00 0.00 O ATOM 0 H SER A 120 -8.670 10.636 -13.898 1.00 0.00 H new ATOM 0 HA SER A 120 -7.415 12.839 -15.290 1.00 0.00 H new ATOM 0 HB2 SER A 120 -9.874 13.021 -15.904 1.00 0.00 H new ATOM 0 HB3 SER A 120 -10.222 13.218 -14.198 1.00 0.00 H new ATOM 0 HG SER A 120 -8.234 14.857 -15.396 1.00 0.00 H new ATOM 1934 N ALA A 121 -7.471 14.061 -12.878 1.00 0.00 N ATOM 1935 CA ALA A 121 -7.015 14.449 -11.557 1.00 0.00 C ATOM 1936 C ALA A 121 -7.602 15.799 -11.181 1.00 0.00 C ATOM 1937 O ALA A 121 -8.006 16.568 -12.050 1.00 0.00 O ATOM 1938 CB ALA A 121 -5.495 14.494 -11.505 1.00 0.00 C ATOM 0 H ALA A 121 -7.537 14.833 -13.541 1.00 0.00 H new ATOM 0 HA ALA A 121 -7.356 13.705 -10.837 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -5.174 14.787 -10.506 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -5.094 13.508 -11.741 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -5.127 15.219 -12.231 1.00 0.00 H new ATOM 1944 N PHE A 122 -7.659 16.083 -9.886 1.00 0.00 N ATOM 1945 CA PHE A 122 -8.182 17.360 -9.417 1.00 0.00 C ATOM 1946 C PHE A 122 -7.182 18.485 -9.659 1.00 0.00 C ATOM 1947 O PHE A 122 -7.500 19.656 -9.466 1.00 0.00 O ATOM 1948 CB PHE A 122 -8.532 17.293 -7.930 1.00 0.00 C ATOM 1949 CG PHE A 122 -9.770 16.500 -7.626 1.00 0.00 C ATOM 1950 CD1 PHE A 122 -11.023 17.026 -7.890 1.00 0.00 C ATOM 1951 CD2 PHE A 122 -9.684 15.235 -7.070 1.00 0.00 C ATOM 1952 CE1 PHE A 122 -12.166 16.306 -7.604 1.00 0.00 C ATOM 1953 CE2 PHE A 122 -10.824 14.512 -6.780 1.00 0.00 C ATOM 1954 CZ PHE A 122 -12.067 15.047 -7.049 1.00 0.00 C ATOM 0 H PHE A 122 -7.352 15.451 -9.146 1.00 0.00 H new ATOM 0 HA PHE A 122 -9.089 17.570 -9.985 1.00 0.00 H new ATOM 0 HB2 PHE A 122 -7.692 16.856 -7.390 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -8.661 18.307 -7.552 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -11.108 18.011 -8.325 1.00 0.00 H new ATOM 0 HD2 PHE A 122 -8.714 14.809 -6.861 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -13.137 16.728 -7.815 1.00 0.00 H new ATOM 0 HE2 PHE A 122 -10.743 13.528 -6.343 1.00 0.00 H new ATOM 0 HZ PHE A 122 -12.960 14.482 -6.826 1.00 0.00 H new ATOM 1964 N ASP A 123 -5.976 18.124 -10.066 1.00 0.00 N ATOM 1965 CA ASP A 123 -4.933 19.102 -10.338 1.00 0.00 C ATOM 1966 C ASP A 123 -4.228 18.745 -11.643 1.00 0.00 C ATOM 1967 O ASP A 123 -4.346 17.617 -12.123 1.00 0.00 O ATOM 1968 CB ASP A 123 -3.933 19.144 -9.176 1.00 0.00 C ATOM 1969 CG ASP A 123 -3.012 20.345 -9.236 1.00 0.00 C ATOM 1970 OD1 ASP A 123 -3.369 21.402 -8.667 1.00 0.00 O ATOM 1971 OD2 ASP A 123 -1.931 20.242 -9.852 1.00 0.00 O ATOM 0 H ASP A 123 -5.693 17.156 -10.216 1.00 0.00 H new ATOM 0 HA ASP A 123 -5.380 20.091 -10.438 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -4.479 19.158 -8.233 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -3.335 18.233 -9.184 1.00 0.00 H new ATOM 1976 N HIS A 124 -3.504 19.703 -12.215 1.00 0.00 N ATOM 1977 CA HIS A 124 -2.807 19.492 -13.481 1.00 0.00 C ATOM 1978 C HIS A 124 -1.713 18.433 -13.343 1.00 0.00 C ATOM 1979 O HIS A 124 -1.383 17.740 -14.307 1.00 0.00 O ATOM 1980 CB HIS A 124 -2.203 20.813 -13.981 1.00 0.00 C ATOM 1981 CG HIS A 124 -1.477 20.697 -15.292 1.00 0.00 C ATOM 1982 ND1 HIS A 124 -0.269 21.317 -15.545 1.00 0.00 N ATOM 1983 CD2 HIS A 124 -1.799 20.034 -16.429 1.00 0.00 C ATOM 1984 CE1 HIS A 124 0.119 21.035 -16.775 1.00 0.00 C ATOM 1985 NE2 HIS A 124 -0.791 20.260 -17.329 1.00 0.00 N ATOM 0 H HIS A 124 -3.384 20.636 -11.821 1.00 0.00 H new ATOM 0 HA HIS A 124 -3.535 19.133 -14.209 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -3.000 21.549 -14.083 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -1.513 21.193 -13.228 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -2.685 19.439 -16.595 1.00 0.00 H new ATOM 0 HE1 HIS A 124 1.027 21.381 -17.246 1.00 0.00 H new ATOM 0 HE2 HIS A 124 -0.751 19.887 -18.278 1.00 0.00 H new ATOM 1993 N PHE A 125 -1.148 18.311 -12.152 1.00 0.00 N ATOM 1994 CA PHE A 125 -0.092 17.339 -11.921 1.00 0.00 C ATOM 1995 C PHE A 125 -0.554 16.235 -10.987 1.00 0.00 C ATOM 1996 O PHE A 125 -1.215 16.487 -9.978 1.00 0.00 O ATOM 1997 CB PHE A 125 1.162 18.015 -11.364 1.00 0.00 C ATOM 1998 CG PHE A 125 1.909 18.822 -12.386 1.00 0.00 C ATOM 1999 CD1 PHE A 125 2.711 18.195 -13.325 1.00 0.00 C ATOM 2000 CD2 PHE A 125 1.808 20.203 -12.412 1.00 0.00 C ATOM 2001 CE1 PHE A 125 3.401 18.928 -14.270 1.00 0.00 C ATOM 2002 CE2 PHE A 125 2.496 20.941 -13.355 1.00 0.00 C ATOM 2003 CZ PHE A 125 3.293 20.303 -14.285 1.00 0.00 C ATOM 0 H PHE A 125 -1.401 18.869 -11.336 1.00 0.00 H new ATOM 0 HA PHE A 125 0.155 16.890 -12.883 1.00 0.00 H new ATOM 0 HB2 PHE A 125 0.878 18.665 -10.536 1.00 0.00 H new ATOM 0 HB3 PHE A 125 1.827 17.253 -10.958 1.00 0.00 H new ATOM 0 HD1 PHE A 125 2.798 17.119 -13.318 1.00 0.00 H new ATOM 0 HD2 PHE A 125 1.185 20.708 -11.688 1.00 0.00 H new ATOM 0 HE1 PHE A 125 4.024 18.426 -14.996 1.00 0.00 H new ATOM 0 HE2 PHE A 125 2.411 22.018 -13.365 1.00 0.00 H new ATOM 0 HZ PHE A 125 3.831 20.880 -15.023 1.00 0.00 H new ATOM 2013 N ALA A 126 -0.203 15.011 -11.341 1.00 0.00 N ATOM 2014 CA ALA A 126 -0.524 13.851 -10.535 1.00 0.00 C ATOM 2015 C ALA A 126 0.713 12.982 -10.389 1.00 0.00 C ATOM 2016 O ALA A 126 1.276 12.516 -11.382 1.00 0.00 O ATOM 2017 CB ALA A 126 -1.669 13.065 -11.156 1.00 0.00 C ATOM 0 H ALA A 126 0.312 14.796 -12.195 1.00 0.00 H new ATOM 0 HA ALA A 126 -0.847 14.179 -9.547 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -1.894 12.198 -10.535 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -2.552 13.701 -11.225 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -1.383 12.732 -12.154 1.00 0.00 H new ATOM 2023 N SER A 127 1.150 12.790 -9.159 1.00 0.00 N ATOM 2024 CA SER A 127 2.346 12.016 -8.897 1.00 0.00 C ATOM 2025 C SER A 127 2.027 10.815 -8.015 1.00 0.00 C ATOM 2026 O SER A 127 1.508 10.967 -6.906 1.00 0.00 O ATOM 2027 CB SER A 127 3.396 12.889 -8.209 1.00 0.00 C ATOM 2028 OG SER A 127 3.574 14.125 -8.885 1.00 0.00 O ATOM 0 H SER A 127 0.693 13.160 -8.325 1.00 0.00 H new ATOM 0 HA SER A 127 2.737 11.660 -9.850 1.00 0.00 H new ATOM 0 HB2 SER A 127 3.094 13.078 -7.179 1.00 0.00 H new ATOM 0 HB3 SER A 127 4.345 12.355 -8.171 1.00 0.00 H new ATOM 0 HG SER A 127 4.250 14.659 -8.418 1.00 0.00 H new ATOM 2034 N VAL A 128 2.318 9.626 -8.513 1.00 0.00 N ATOM 2035 CA VAL A 128 2.221 8.426 -7.702 1.00 0.00 C ATOM 2036 C VAL A 128 3.519 8.258 -6.920 1.00 0.00 C ATOM 2037 O VAL A 128 4.596 8.120 -7.499 1.00 0.00 O ATOM 2038 CB VAL A 128 1.919 7.171 -8.558 1.00 0.00 C ATOM 2039 CG1 VAL A 128 2.898 7.040 -9.716 1.00 0.00 C ATOM 2040 CG2 VAL A 128 1.936 5.915 -7.699 1.00 0.00 C ATOM 0 H VAL A 128 2.623 9.466 -9.473 1.00 0.00 H new ATOM 0 HA VAL A 128 1.385 8.534 -7.011 1.00 0.00 H new ATOM 0 HB VAL A 128 0.920 7.290 -8.977 1.00 0.00 H new ATOM 0 HG11 VAL A 128 2.658 6.149 -10.296 1.00 0.00 H new ATOM 0 HG12 VAL A 128 2.825 7.920 -10.355 1.00 0.00 H new ATOM 0 HG13 VAL A 128 3.913 6.957 -9.327 1.00 0.00 H new ATOM 0 HG21 VAL A 128 1.721 5.046 -8.321 1.00 0.00 H new ATOM 0 HG22 VAL A 128 2.919 5.800 -7.242 1.00 0.00 H new ATOM 0 HG23 VAL A 128 1.180 5.998 -6.918 1.00 0.00 H new ATOM 2050 N HIS A 129 3.430 8.319 -5.602 1.00 0.00 N ATOM 2051 CA HIS A 129 4.630 8.335 -4.785 1.00 0.00 C ATOM 2052 C HIS A 129 4.956 6.942 -4.257 1.00 0.00 C ATOM 2053 O HIS A 129 6.118 6.633 -4.008 1.00 0.00 O ATOM 2054 CB HIS A 129 4.479 9.330 -3.630 1.00 0.00 C ATOM 2055 CG HIS A 129 5.777 9.681 -2.962 1.00 0.00 C ATOM 2056 ND1 HIS A 129 6.538 10.779 -3.313 1.00 0.00 N ATOM 2057 CD2 HIS A 129 6.449 9.072 -1.957 1.00 0.00 C ATOM 2058 CE1 HIS A 129 7.616 10.824 -2.552 1.00 0.00 C ATOM 2059 NE2 HIS A 129 7.585 9.801 -1.723 1.00 0.00 N ATOM 0 H HIS A 129 2.553 8.358 -5.082 1.00 0.00 H new ATOM 0 HA HIS A 129 5.461 8.656 -5.413 1.00 0.00 H new ATOM 0 HB2 HIS A 129 4.016 10.242 -4.006 1.00 0.00 H new ATOM 0 HB3 HIS A 129 3.800 8.911 -2.887 1.00 0.00 H new ATOM 0 HD2 HIS A 129 6.145 8.176 -1.436 1.00 0.00 H new ATOM 0 HE1 HIS A 129 8.392 11.573 -2.601 1.00 0.00 H new ATOM 0 HE2 HIS A 129 8.292 9.586 -1.020 1.00 0.00 H new ATOM 2067 N SER A 130 3.936 6.107 -4.086 1.00 0.00 N ATOM 2068 CA SER A 130 4.148 4.748 -3.605 1.00 0.00 C ATOM 2069 C SER A 130 2.881 3.912 -3.746 1.00 0.00 C ATOM 2070 O SER A 130 1.839 4.250 -3.190 1.00 0.00 O ATOM 2071 CB SER A 130 4.595 4.769 -2.136 1.00 0.00 C ATOM 2072 OG SER A 130 4.960 3.476 -1.682 1.00 0.00 O ATOM 0 H SER A 130 2.962 6.346 -4.272 1.00 0.00 H new ATOM 0 HA SER A 130 4.930 4.294 -4.214 1.00 0.00 H new ATOM 0 HB2 SER A 130 5.441 5.447 -2.022 1.00 0.00 H new ATOM 0 HB3 SER A 130 3.788 5.159 -1.515 1.00 0.00 H new ATOM 0 HG SER A 130 5.241 3.526 -0.744 1.00 0.00 H new ATOM 2078 N VAL A 131 2.973 2.831 -4.503 1.00 0.00 N ATOM 2079 CA VAL A 131 1.899 1.853 -4.579 1.00 0.00 C ATOM 2080 C VAL A 131 2.459 0.464 -4.322 1.00 0.00 C ATOM 2081 O VAL A 131 3.598 0.168 -4.687 1.00 0.00 O ATOM 2082 CB VAL A 131 1.156 1.875 -5.937 1.00 0.00 C ATOM 2083 CG1 VAL A 131 0.347 3.155 -6.088 1.00 0.00 C ATOM 2084 CG2 VAL A 131 2.128 1.718 -7.097 1.00 0.00 C ATOM 0 H VAL A 131 3.786 2.607 -5.077 1.00 0.00 H new ATOM 0 HA VAL A 131 1.168 2.118 -3.815 1.00 0.00 H new ATOM 0 HB VAL A 131 0.469 1.029 -5.955 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -0.167 3.149 -7.049 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -0.387 3.218 -5.285 1.00 0.00 H new ATOM 0 HG13 VAL A 131 1.015 4.015 -6.038 1.00 0.00 H new ATOM 0 HG21 VAL A 131 1.578 1.737 -8.038 1.00 0.00 H new ATOM 0 HG22 VAL A 131 2.848 2.536 -7.081 1.00 0.00 H new ATOM 0 HG23 VAL A 131 2.655 0.768 -7.004 1.00 0.00 H new ATOM 2094 N SER A 132 1.684 -0.370 -3.654 1.00 0.00 N ATOM 2095 CA SER A 132 2.130 -1.713 -3.320 1.00 0.00 C ATOM 2096 C SER A 132 0.945 -2.666 -3.240 1.00 0.00 C ATOM 2097 O SER A 132 -0.142 -2.278 -2.806 1.00 0.00 O ATOM 2098 CB SER A 132 2.888 -1.695 -1.991 1.00 0.00 C ATOM 2099 OG SER A 132 3.974 -0.782 -2.039 1.00 0.00 O ATOM 0 H SER A 132 0.743 -0.143 -3.332 1.00 0.00 H new ATOM 0 HA SER A 132 2.799 -2.065 -4.105 1.00 0.00 H new ATOM 0 HB2 SER A 132 2.209 -1.417 -1.185 1.00 0.00 H new ATOM 0 HB3 SER A 132 3.258 -2.695 -1.765 1.00 0.00 H new ATOM 0 HG SER A 132 4.443 -0.786 -1.179 1.00 0.00 H new ATOM 2105 N ALA A 133 1.153 -3.905 -3.670 1.00 0.00 N ATOM 2106 CA ALA A 133 0.103 -4.905 -3.621 1.00 0.00 C ATOM 2107 C ALA A 133 0.385 -5.886 -2.501 1.00 0.00 C ATOM 2108 O ALA A 133 1.447 -6.490 -2.459 1.00 0.00 O ATOM 2109 CB ALA A 133 -0.009 -5.630 -4.955 1.00 0.00 C ATOM 0 H ALA A 133 2.038 -4.237 -4.055 1.00 0.00 H new ATOM 0 HA ALA A 133 -0.849 -4.411 -3.426 1.00 0.00 H new ATOM 0 HB1 ALA A 133 -0.802 -6.376 -4.898 1.00 0.00 H new ATOM 0 HB2 ALA A 133 -0.242 -4.912 -5.741 1.00 0.00 H new ATOM 0 HB3 ALA A 133 0.937 -6.122 -5.182 1.00 0.00 H new ATOM 2115 N GLU A 134 -0.552 -6.031 -1.591 1.00 0.00 N ATOM 2116 CA GLU A 134 -0.372 -6.909 -0.451 1.00 0.00 C ATOM 2117 C GLU A 134 -1.169 -8.186 -0.634 1.00 0.00 C ATOM 2118 O GLU A 134 -2.244 -8.184 -1.239 1.00 0.00 O ATOM 2119 CB GLU A 134 -0.792 -6.202 0.833 1.00 0.00 C ATOM 2120 CG GLU A 134 -0.030 -4.913 1.080 1.00 0.00 C ATOM 2121 CD GLU A 134 -0.472 -4.216 2.344 1.00 0.00 C ATOM 2122 OE1 GLU A 134 -1.507 -3.523 2.317 1.00 0.00 O ATOM 2123 OE2 GLU A 134 0.212 -4.362 3.378 1.00 0.00 O ATOM 0 H GLU A 134 -1.451 -5.551 -1.617 1.00 0.00 H new ATOM 0 HA GLU A 134 0.684 -7.168 -0.377 1.00 0.00 H new ATOM 0 HB2 GLU A 134 -1.859 -5.983 0.788 1.00 0.00 H new ATOM 0 HB3 GLU A 134 -0.640 -6.874 1.677 1.00 0.00 H new ATOM 0 HG2 GLU A 134 1.036 -5.131 1.142 1.00 0.00 H new ATOM 0 HG3 GLU A 134 -0.170 -4.243 0.231 1.00 0.00 H new ATOM 2130 N GLY A 135 -0.639 -9.269 -0.106 1.00 0.00 N ATOM 2131 CA GLY A 135 -1.260 -10.555 -0.267 1.00 0.00 C ATOM 2132 C GLY A 135 -0.231 -11.653 -0.245 1.00 0.00 C ATOM 2133 O GLY A 135 0.748 -11.570 0.500 1.00 0.00 O ATOM 0 H GLY A 135 0.223 -9.278 0.439 1.00 0.00 H new ATOM 0 HA2 GLY A 135 -1.986 -10.715 0.530 1.00 0.00 H new ATOM 0 HA3 GLY A 135 -1.808 -10.583 -1.209 1.00 0.00 H new ATOM 2137 N THR A 136 -0.424 -12.662 -1.074 1.00 0.00 N ATOM 2138 CA THR A 136 0.485 -13.794 -1.111 1.00 0.00 C ATOM 2139 C THR A 136 0.557 -14.420 -2.500 1.00 0.00 C ATOM 2140 O THR A 136 -0.436 -14.466 -3.223 1.00 0.00 O ATOM 2141 CB THR A 136 0.060 -14.859 -0.088 1.00 0.00 C ATOM 2142 OG1 THR A 136 -1.350 -14.755 0.163 1.00 0.00 O ATOM 2143 CG2 THR A 136 0.829 -14.697 1.210 1.00 0.00 C ATOM 0 H THR A 136 -1.202 -12.721 -1.731 1.00 0.00 H new ATOM 0 HA THR A 136 1.476 -13.419 -0.857 1.00 0.00 H new ATOM 0 HB THR A 136 0.284 -15.843 -0.499 1.00 0.00 H new ATOM 0 HG1 THR A 136 -1.527 -13.962 0.711 1.00 0.00 H new ATOM 0 HG21 THR A 136 0.511 -15.462 1.919 1.00 0.00 H new ATOM 0 HG22 THR A 136 1.896 -14.803 1.016 1.00 0.00 H new ATOM 0 HG23 THR A 136 0.632 -13.710 1.629 1.00 0.00 H new ATOM 2151 N VAL A 137 1.739 -14.889 -2.874 1.00 0.00 N ATOM 2152 CA VAL A 137 1.926 -15.549 -4.159 1.00 0.00 C ATOM 2153 C VAL A 137 1.435 -16.990 -4.085 1.00 0.00 C ATOM 2154 O VAL A 137 1.804 -17.731 -3.173 1.00 0.00 O ATOM 2155 CB VAL A 137 3.410 -15.546 -4.592 1.00 0.00 C ATOM 2156 CG1 VAL A 137 3.557 -16.062 -6.014 1.00 0.00 C ATOM 2157 CG2 VAL A 137 4.009 -14.156 -4.464 1.00 0.00 C ATOM 0 H VAL A 137 2.584 -14.825 -2.306 1.00 0.00 H new ATOM 0 HA VAL A 137 1.348 -14.993 -4.897 1.00 0.00 H new ATOM 0 HB VAL A 137 3.956 -16.214 -3.926 1.00 0.00 H new ATOM 0 HG11 VAL A 137 4.609 -16.051 -6.298 1.00 0.00 H new ATOM 0 HG12 VAL A 137 3.176 -17.082 -6.072 1.00 0.00 H new ATOM 0 HG13 VAL A 137 2.991 -15.424 -6.693 1.00 0.00 H new ATOM 0 HG21 VAL A 137 5.054 -14.180 -4.774 1.00 0.00 H new ATOM 0 HG22 VAL A 137 3.458 -13.462 -5.099 1.00 0.00 H new ATOM 0 HG23 VAL A 137 3.946 -13.827 -3.427 1.00 0.00 H new ATOM 2167 N VAL A 138 0.595 -17.376 -5.034 1.00 0.00 N ATOM 2168 CA VAL A 138 0.059 -18.730 -5.073 1.00 0.00 C ATOM 2169 C VAL A 138 0.906 -19.604 -5.993 1.00 0.00 C ATOM 2170 O VAL A 138 1.133 -20.783 -5.723 1.00 0.00 O ATOM 2171 CB VAL A 138 -1.407 -18.741 -5.559 1.00 0.00 C ATOM 2172 CG1 VAL A 138 -1.993 -20.143 -5.479 1.00 0.00 C ATOM 2173 CG2 VAL A 138 -2.249 -17.760 -4.755 1.00 0.00 C ATOM 0 H VAL A 138 0.269 -16.771 -5.788 1.00 0.00 H new ATOM 0 HA VAL A 138 0.089 -19.128 -4.059 1.00 0.00 H new ATOM 0 HB VAL A 138 -1.420 -18.426 -6.603 1.00 0.00 H new ATOM 0 HG11 VAL A 138 -3.026 -20.126 -5.826 1.00 0.00 H new ATOM 0 HG12 VAL A 138 -1.410 -20.817 -6.107 1.00 0.00 H new ATOM 0 HG13 VAL A 138 -1.963 -20.492 -4.447 1.00 0.00 H new ATOM 0 HG21 VAL A 138 -3.278 -17.784 -5.114 1.00 0.00 H new ATOM 0 HG22 VAL A 138 -2.226 -18.039 -3.702 1.00 0.00 H new ATOM 0 HG23 VAL A 138 -1.847 -16.754 -4.873 1.00 0.00 H new ATOM 2183 N SER A 139 1.374 -19.013 -7.081 1.00 0.00 N ATOM 2184 CA SER A 139 2.228 -19.714 -8.026 1.00 0.00 C ATOM 2185 C SER A 139 3.328 -18.781 -8.517 1.00 0.00 C ATOM 2186 O SER A 139 3.050 -17.782 -9.187 1.00 0.00 O ATOM 2187 CB SER A 139 1.403 -20.223 -9.209 1.00 0.00 C ATOM 2188 OG SER A 139 0.265 -20.943 -8.766 1.00 0.00 O ATOM 0 H SER A 139 1.175 -18.045 -7.332 1.00 0.00 H new ATOM 0 HA SER A 139 2.682 -20.569 -7.526 1.00 0.00 H new ATOM 0 HB2 SER A 139 1.087 -19.381 -9.825 1.00 0.00 H new ATOM 0 HB3 SER A 139 2.021 -20.864 -9.838 1.00 0.00 H new ATOM 0 HG SER A 139 -0.246 -21.256 -9.541 1.00 0.00 H new