USER MOD reduce.3.24.130724 H: found=0, std=0, add=803, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 805 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 78 ASN : amide:sc= -0.739 X(o=0.35,f=0.34) USER MOD Set 1.2: A 82 THR OG1 : rot -72:sc= 1.09 USER MOD Set 2.1: A 28 GLN : amide:sc= -1.7! K(o=-1.7!,f=0.19) USER MOD Set 2.2: A 30 TYR OH : rot 95:sc= 0.017 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -168:sc= 0.957 (180deg=0.643) USER MOD Single : A 25 TYR OH : rot -162:sc= 0.978 USER MOD Single : A 33 THR OG1 : rot 87:sc= 1.54 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 30:sc= -0.0475 USER MOD Single : A 43 TYR OH : rot 27:sc= 0.927 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 110:sc= 0.921 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 54:sc= 0.319 USER MOD Single : A 57 SER OG : rot -75:sc= 0.852 USER MOD Single : A 64 ASN : amide:sc= -0.0133 X(o=-0.013,f=-0.013) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.031 USER MOD Single : A 67 LYS NZ :NH3+ -177:sc= 0.715 (180deg=0.668) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.811 K(o=-0.81,f=0) USER MOD Single : A 81 TYR OH : rot 30:sc=-0.00569 USER MOD Single : A 86 THR OG1 : rot 105:sc= 1.33 USER MOD Single : A 90 HIS : no HD1:sc= -1.73 X(o=-1.7,f=-1.9!) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 159:sc= 1.22 (180deg=1.15) USER MOD Single : A 100 SER OG : rot 71:sc= 0.197 USER MOD Single : A 103 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0237) USER MOD Single : A 106 SER OG : rot 125:sc= 0.0104 USER MOD Single : A 107 SER OG : rot -64:sc= 1.55 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 GLN : amide:sc= 0.602 K(o=0.6,f=-0.14) USER MOD Single : A 114 THR OG1 : rot 175:sc= 0.669 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 LYS NZ :NH3+ 164:sc= 1.22 (180deg=0.961) USER MOD Single : A 123 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 124 GLN : amide:sc= -0.789 X(o=-0.79,f=-0.94) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 19 1.228 18.085 11.748 1.00 0.00 N ATOM 2 CA GLY A 19 0.386 18.025 10.562 1.00 0.00 C ATOM 3 C GLY A 19 1.124 17.457 9.393 1.00 0.00 C ATOM 4 O GLY A 19 1.814 18.175 8.673 1.00 0.00 O ATOM 0 HA2 GLY A 19 -0.493 17.415 10.769 1.00 0.00 H new ATOM 0 HA3 GLY A 19 0.029 19.025 10.317 1.00 0.00 H new ATOM 10 N ALA A 20 1.004 16.176 9.214 1.00 0.00 N ATOM 11 CA ALA A 20 1.623 15.490 8.119 1.00 0.00 C ATOM 12 C ALA A 20 0.583 14.623 7.474 1.00 0.00 C ATOM 13 O ALA A 20 0.116 13.651 8.078 1.00 0.00 O ATOM 14 CB ALA A 20 2.798 14.651 8.602 1.00 0.00 C ATOM 0 H ALA A 20 0.466 15.569 9.833 1.00 0.00 H new ATOM 0 HA ALA A 20 2.014 16.209 7.399 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.253 14.139 7.754 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.537 15.298 9.074 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.446 13.914 9.324 1.00 0.00 H new ATOM 20 N ASP A 21 0.180 14.988 6.284 1.00 0.00 N ATOM 21 CA ASP A 21 -0.867 14.258 5.575 1.00 0.00 C ATOM 22 C ASP A 21 -0.291 13.035 4.921 1.00 0.00 C ATOM 23 O ASP A 21 -0.983 12.053 4.677 1.00 0.00 O ATOM 24 CB ASP A 21 -1.584 15.143 4.549 1.00 0.00 C ATOM 25 CG ASP A 21 -2.342 16.277 5.197 1.00 0.00 C ATOM 26 OD1 ASP A 21 -1.726 17.332 5.490 1.00 0.00 O ATOM 27 OD2 ASP A 21 -3.571 16.143 5.442 1.00 0.00 O ATOM 0 H ASP A 21 0.556 15.788 5.775 1.00 0.00 H new ATOM 0 HA ASP A 21 -1.614 13.948 6.306 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -0.853 15.550 3.851 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -2.275 14.533 3.967 1.00 0.00 H new ATOM 32 N SER A 22 0.973 13.077 4.661 1.00 0.00 N ATOM 33 CA SER A 22 1.673 11.952 4.161 1.00 0.00 C ATOM 34 C SER A 22 2.462 11.347 5.320 1.00 0.00 C ATOM 35 O SER A 22 3.168 12.062 6.037 1.00 0.00 O ATOM 36 CB SER A 22 2.603 12.379 3.017 1.00 0.00 C ATOM 37 OG SER A 22 1.867 13.005 1.964 1.00 0.00 O ATOM 0 H SER A 22 1.552 13.906 4.793 1.00 0.00 H new ATOM 0 HA SER A 22 0.984 11.210 3.759 1.00 0.00 H new ATOM 0 HB2 SER A 22 3.359 13.067 3.396 1.00 0.00 H new ATOM 0 HB3 SER A 22 3.131 11.508 2.628 1.00 0.00 H new ATOM 0 HG SER A 22 2.481 13.270 1.248 1.00 0.00 H new ATOM 43 N CYS A 23 2.324 10.063 5.522 1.00 0.00 N ATOM 44 CA CYS A 23 3.022 9.393 6.593 1.00 0.00 C ATOM 45 C CYS A 23 4.194 8.653 5.977 1.00 0.00 C ATOM 46 O CYS A 23 4.037 7.979 4.951 1.00 0.00 O ATOM 47 CB CYS A 23 2.051 8.422 7.296 1.00 0.00 C ATOM 48 SG CYS A 23 2.730 7.470 8.710 1.00 0.00 S ATOM 0 H CYS A 23 1.731 9.455 4.956 1.00 0.00 H new ATOM 0 HA CYS A 23 3.389 10.097 7.340 1.00 0.00 H new ATOM 0 HB2 CYS A 23 1.193 8.994 7.650 1.00 0.00 H new ATOM 0 HB3 CYS A 23 1.679 7.714 6.555 1.00 0.00 H new ATOM 53 N LYS A 24 5.345 8.770 6.600 1.00 0.00 N ATOM 54 CA LYS A 24 6.597 8.244 6.072 1.00 0.00 C ATOM 55 C LYS A 24 6.635 6.726 6.198 1.00 0.00 C ATOM 56 O LYS A 24 6.690 6.205 7.306 1.00 0.00 O ATOM 57 CB LYS A 24 7.760 8.874 6.853 1.00 0.00 C ATOM 58 CG LYS A 24 9.156 8.637 6.293 1.00 0.00 C ATOM 59 CD LYS A 24 9.315 9.215 4.892 1.00 0.00 C ATOM 60 CE LYS A 24 10.756 9.124 4.419 1.00 0.00 C ATOM 61 NZ LYS A 24 11.678 9.877 5.306 1.00 0.00 N ATOM 0 H LYS A 24 5.446 9.239 7.500 1.00 0.00 H new ATOM 0 HA LYS A 24 6.683 8.494 5.014 1.00 0.00 H new ATOM 0 HB2 LYS A 24 7.592 9.950 6.909 1.00 0.00 H new ATOM 0 HB3 LYS A 24 7.732 8.494 7.874 1.00 0.00 H new ATOM 0 HG2 LYS A 24 9.894 9.087 6.957 1.00 0.00 H new ATOM 0 HG3 LYS A 24 9.360 7.567 6.269 1.00 0.00 H new ATOM 0 HD2 LYS A 24 8.668 8.678 4.199 1.00 0.00 H new ATOM 0 HD3 LYS A 24 8.993 10.256 4.887 1.00 0.00 H new ATOM 0 HE2 LYS A 24 11.061 8.078 4.382 1.00 0.00 H new ATOM 0 HE3 LYS A 24 10.830 9.513 3.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 12.608 9.963 4.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 11.291 10.826 5.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 11.782 9.371 6.208 1.00 0.00 H new ATOM 75 N TYR A 25 6.594 6.031 5.043 1.00 0.00 N ATOM 76 CA TYR A 25 6.618 4.548 4.985 1.00 0.00 C ATOM 77 C TYR A 25 5.329 3.938 5.500 1.00 0.00 C ATOM 78 O TYR A 25 5.320 2.826 6.032 1.00 0.00 O ATOM 79 CB TYR A 25 7.827 3.951 5.730 1.00 0.00 C ATOM 80 CG TYR A 25 9.128 3.982 4.971 1.00 0.00 C ATOM 81 CD1 TYR A 25 9.810 5.162 4.739 1.00 0.00 C ATOM 82 CD2 TYR A 25 9.688 2.804 4.517 1.00 0.00 C ATOM 83 CE1 TYR A 25 11.018 5.159 4.074 1.00 0.00 C ATOM 84 CE2 TYR A 25 10.883 2.792 3.846 1.00 0.00 C ATOM 85 CZ TYR A 25 11.548 3.972 3.628 1.00 0.00 C ATOM 86 OH TYR A 25 12.765 3.970 2.996 1.00 0.00 O ATOM 0 H TYR A 25 6.544 6.476 4.126 1.00 0.00 H new ATOM 0 HA TYR A 25 6.718 4.292 3.930 1.00 0.00 H new ATOM 0 HB2 TYR A 25 7.959 4.492 6.667 1.00 0.00 H new ATOM 0 HB3 TYR A 25 7.600 2.917 5.988 1.00 0.00 H new ATOM 0 HD1 TYR A 25 9.392 6.097 5.082 1.00 0.00 H new ATOM 0 HD2 TYR A 25 9.173 1.872 4.695 1.00 0.00 H new ATOM 0 HE1 TYR A 25 11.546 6.086 3.904 1.00 0.00 H new ATOM 0 HE2 TYR A 25 11.298 1.860 3.491 1.00 0.00 H new ATOM 0 HH TYR A 25 12.873 3.134 2.496 1.00 0.00 H new ATOM 96 N CYS A 26 4.240 4.615 5.268 1.00 0.00 N ATOM 97 CA CYS A 26 2.966 4.128 5.713 1.00 0.00 C ATOM 98 C CYS A 26 2.053 4.028 4.504 1.00 0.00 C ATOM 99 O CYS A 26 2.139 4.868 3.593 1.00 0.00 O ATOM 100 CB CYS A 26 2.370 5.131 6.702 1.00 0.00 C ATOM 101 SG CYS A 26 3.577 5.784 7.918 1.00 0.00 S ATOM 0 H CYS A 26 4.209 5.506 4.773 1.00 0.00 H new ATOM 0 HA CYS A 26 3.074 3.156 6.194 1.00 0.00 H new ATOM 0 HB2 CYS A 26 1.943 5.965 6.145 1.00 0.00 H new ATOM 0 HB3 CYS A 26 1.551 4.653 7.239 1.00 0.00 H new ATOM 106 N LEU A 27 1.201 3.033 4.489 1.00 0.00 N ATOM 107 CA LEU A 27 0.247 2.858 3.414 1.00 0.00 C ATOM 108 C LEU A 27 -0.980 3.628 3.777 1.00 0.00 C ATOM 109 O LEU A 27 -1.483 3.497 4.902 1.00 0.00 O ATOM 110 CB LEU A 27 -0.087 1.374 3.223 1.00 0.00 C ATOM 111 CG LEU A 27 -1.065 0.995 2.111 1.00 0.00 C ATOM 112 CD1 LEU A 27 -0.563 1.434 0.755 1.00 0.00 C ATOM 113 CD2 LEU A 27 -1.268 -0.482 2.115 1.00 0.00 C ATOM 0 H LEU A 27 1.147 2.322 5.218 1.00 0.00 H new ATOM 0 HA LEU A 27 0.663 3.220 2.474 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.847 0.842 3.041 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.490 0.999 4.164 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.009 1.506 2.300 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.284 1.147 -0.010 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.436 2.517 0.747 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.394 0.955 0.549 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.965 -0.756 1.323 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.314 -0.981 1.947 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.674 -0.791 3.078 1.00 0.00 H new ATOM 125 N GLN A 28 -1.439 4.461 2.886 1.00 0.00 N ATOM 126 CA GLN A 28 -2.574 5.272 3.190 1.00 0.00 C ATOM 127 C GLN A 28 -3.686 4.924 2.266 1.00 0.00 C ATOM 128 O GLN A 28 -3.536 4.961 1.031 1.00 0.00 O ATOM 129 CB GLN A 28 -2.183 6.715 2.998 1.00 0.00 C ATOM 130 CG GLN A 28 -0.968 7.085 3.807 1.00 0.00 C ATOM 131 CD GLN A 28 -0.330 8.367 3.332 1.00 0.00 C ATOM 132 OE1 GLN A 28 -0.993 9.280 2.878 1.00 0.00 O ATOM 133 NE2 GLN A 28 0.981 8.404 3.339 1.00 0.00 N ATOM 0 H GLN A 28 -1.047 4.593 1.954 1.00 0.00 H new ATOM 0 HA GLN A 28 -2.901 5.106 4.216 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -1.985 6.899 1.942 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -3.017 7.357 3.282 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -1.250 7.189 4.855 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -0.238 6.277 3.752 1.00 0.00 H new ATOM 0 HE21 GLN A 28 1.511 7.623 3.726 1.00 0.00 H new ATOM 0 HE22 GLN A 28 1.470 9.213 2.957 1.00 0.00 H new ATOM 142 N LEU A 29 -4.779 4.562 2.840 1.00 0.00 N ATOM 143 CA LEU A 29 -5.943 4.260 2.094 1.00 0.00 C ATOM 144 C LEU A 29 -6.988 5.314 2.328 1.00 0.00 C ATOM 145 O LEU A 29 -7.413 5.531 3.473 1.00 0.00 O ATOM 146 CB LEU A 29 -6.443 2.848 2.372 1.00 0.00 C ATOM 147 CG LEU A 29 -5.398 1.742 2.155 1.00 0.00 C ATOM 148 CD1 LEU A 29 -4.690 1.347 3.433 1.00 0.00 C ATOM 149 CD2 LEU A 29 -5.990 0.558 1.484 1.00 0.00 C ATOM 0 H LEU A 29 -4.888 4.467 3.850 1.00 0.00 H new ATOM 0 HA LEU A 29 -5.696 4.275 1.032 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -6.796 2.798 3.402 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -7.302 2.648 1.731 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.641 2.163 1.494 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -3.964 0.563 3.219 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -4.176 2.214 3.847 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -5.420 0.979 4.154 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.223 -0.204 1.347 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -6.795 0.156 2.099 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -6.388 0.851 0.513 1.00 0.00 H new ATOM 161 N TYR A 30 -7.385 5.962 1.278 1.00 0.00 N ATOM 162 CA TYR A 30 -8.325 7.056 1.341 1.00 0.00 C ATOM 163 C TYR A 30 -9.730 6.548 1.212 1.00 0.00 C ATOM 164 O TYR A 30 -9.967 5.527 0.567 1.00 0.00 O ATOM 165 CB TYR A 30 -8.050 8.059 0.230 1.00 0.00 C ATOM 166 CG TYR A 30 -6.703 8.731 0.321 1.00 0.00 C ATOM 167 CD1 TYR A 30 -6.531 9.886 1.068 1.00 0.00 C ATOM 168 CD2 TYR A 30 -5.599 8.204 -0.336 1.00 0.00 C ATOM 169 CE1 TYR A 30 -5.297 10.498 1.156 1.00 0.00 C ATOM 170 CE2 TYR A 30 -4.366 8.809 -0.251 1.00 0.00 C ATOM 171 CZ TYR A 30 -4.219 9.954 0.496 1.00 0.00 C ATOM 172 OH TYR A 30 -2.990 10.559 0.581 1.00 0.00 O ATOM 0 H TYR A 30 -7.064 5.748 0.334 1.00 0.00 H new ATOM 0 HA TYR A 30 -8.207 7.547 2.307 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -8.125 7.549 -0.731 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -8.827 8.824 0.246 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -7.375 10.313 1.589 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -5.710 7.304 -0.923 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -5.178 11.399 1.740 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -3.518 8.386 -0.769 1.00 0.00 H new ATOM 0 HH TYR A 30 -2.466 10.136 1.293 1.00 0.00 H new ATOM 182 N ASP A 31 -10.655 7.245 1.817 1.00 0.00 N ATOM 183 CA ASP A 31 -12.058 6.856 1.779 1.00 0.00 C ATOM 184 C ASP A 31 -12.679 7.174 0.430 1.00 0.00 C ATOM 185 O ASP A 31 -13.483 6.403 -0.096 1.00 0.00 O ATOM 186 CB ASP A 31 -12.855 7.516 2.909 1.00 0.00 C ATOM 187 CG ASP A 31 -14.335 7.154 2.883 1.00 0.00 C ATOM 188 OD1 ASP A 31 -15.141 7.917 2.312 1.00 0.00 O ATOM 189 OD2 ASP A 31 -14.721 6.107 3.436 1.00 0.00 O ATOM 0 H ASP A 31 -10.469 8.095 2.350 1.00 0.00 H new ATOM 0 HA ASP A 31 -12.099 5.777 1.927 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -12.430 7.218 3.868 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -12.750 8.598 2.836 1.00 0.00 H new ATOM 194 N GLU A 32 -12.275 8.269 -0.150 1.00 0.00 N ATOM 195 CA GLU A 32 -12.791 8.671 -1.434 1.00 0.00 C ATOM 196 C GLU A 32 -11.725 8.477 -2.478 1.00 0.00 C ATOM 197 O GLU A 32 -10.595 8.067 -2.161 1.00 0.00 O ATOM 198 CB GLU A 32 -13.245 10.128 -1.411 1.00 0.00 C ATOM 199 CG GLU A 32 -14.426 10.409 -0.509 1.00 0.00 C ATOM 200 CD GLU A 32 -14.729 11.885 -0.398 1.00 0.00 C ATOM 201 OE1 GLU A 32 -14.923 12.377 0.737 1.00 0.00 O ATOM 202 OE2 GLU A 32 -14.755 12.595 -1.441 1.00 0.00 O ATOM 0 H GLU A 32 -11.584 8.906 0.248 1.00 0.00 H new ATOM 0 HA GLU A 32 -13.658 8.055 -1.673 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -12.408 10.750 -1.095 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -13.501 10.430 -2.426 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -15.304 9.889 -0.892 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -14.225 10.007 0.484 1.00 0.00 H new ATOM 209 N THR A 33 -12.065 8.747 -3.700 1.00 0.00 N ATOM 210 CA THR A 33 -11.172 8.610 -4.778 1.00 0.00 C ATOM 211 C THR A 33 -10.285 9.852 -4.873 1.00 0.00 C ATOM 212 O THR A 33 -10.520 10.834 -4.145 1.00 0.00 O ATOM 213 CB THR A 33 -12.003 8.410 -6.049 1.00 0.00 C ATOM 214 OG1 THR A 33 -13.182 9.235 -5.957 1.00 0.00 O ATOM 215 CG2 THR A 33 -12.433 6.969 -6.187 1.00 0.00 C ATOM 0 H THR A 33 -12.993 9.075 -3.968 1.00 0.00 H new ATOM 0 HA THR A 33 -10.514 7.752 -4.640 1.00 0.00 H new ATOM 0 HB THR A 33 -11.399 8.681 -6.915 1.00 0.00 H new ATOM 0 HG1 THR A 33 -12.982 10.130 -6.302 1.00 0.00 H new ATOM 0 HG21 THR A 33 -13.022 6.851 -7.097 1.00 0.00 H new ATOM 0 HG22 THR A 33 -11.552 6.330 -6.239 1.00 0.00 H new ATOM 0 HG23 THR A 33 -13.036 6.685 -5.325 1.00 0.00 H new ATOM 223 N TYR A 34 -9.251 9.785 -5.728 1.00 0.00 N ATOM 224 CA TYR A 34 -8.316 10.896 -6.011 1.00 0.00 C ATOM 225 C TYR A 34 -7.790 11.609 -4.753 1.00 0.00 C ATOM 226 O TYR A 34 -7.753 12.838 -4.696 1.00 0.00 O ATOM 227 CB TYR A 34 -8.864 11.885 -7.103 1.00 0.00 C ATOM 228 CG TYR A 34 -10.268 12.407 -6.859 1.00 0.00 C ATOM 229 CD1 TYR A 34 -11.369 11.685 -7.289 1.00 0.00 C ATOM 230 CD2 TYR A 34 -10.492 13.581 -6.168 1.00 0.00 C ATOM 231 CE1 TYR A 34 -12.644 12.113 -7.038 1.00 0.00 C ATOM 232 CE2 TYR A 34 -11.765 14.022 -5.923 1.00 0.00 C ATOM 233 CZ TYR A 34 -12.840 13.290 -6.354 1.00 0.00 C ATOM 234 OH TYR A 34 -14.120 13.725 -6.071 1.00 0.00 O ATOM 0 H TYR A 34 -9.034 8.939 -6.255 1.00 0.00 H new ATOM 0 HA TYR A 34 -7.434 10.424 -6.445 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -8.185 12.735 -7.173 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -8.844 11.381 -8.069 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -11.218 10.765 -7.834 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -9.651 14.160 -5.816 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -13.490 11.531 -7.374 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -11.922 14.948 -5.389 1.00 0.00 H new ATOM 0 HH TYR A 34 -14.077 14.573 -5.582 1.00 0.00 H new ATOM 244 N GLU A 35 -7.403 10.811 -3.743 1.00 0.00 N ATOM 245 CA GLU A 35 -6.817 11.309 -2.478 1.00 0.00 C ATOM 246 C GLU A 35 -7.828 12.094 -1.627 1.00 0.00 C ATOM 247 O GLU A 35 -7.438 12.880 -0.752 1.00 0.00 O ATOM 248 CB GLU A 35 -5.560 12.172 -2.737 1.00 0.00 C ATOM 249 CG GLU A 35 -4.390 11.429 -3.361 1.00 0.00 C ATOM 250 CD GLU A 35 -3.253 12.355 -3.722 1.00 0.00 C ATOM 251 OE1 GLU A 35 -2.415 12.682 -2.845 1.00 0.00 O ATOM 252 OE2 GLU A 35 -3.172 12.776 -4.900 1.00 0.00 O ATOM 0 H GLU A 35 -7.487 9.795 -3.778 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.526 10.424 -1.912 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.835 13.001 -3.389 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.234 12.605 -1.792 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.031 10.670 -2.666 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.729 10.907 -4.256 1.00 0.00 H new ATOM 259 N ARG A 36 -9.102 11.862 -1.831 1.00 0.00 N ATOM 260 CA ARG A 36 -10.103 12.523 -1.022 1.00 0.00 C ATOM 261 C ARG A 36 -10.564 11.695 0.158 1.00 0.00 C ATOM 262 O ARG A 36 -10.393 10.462 0.199 1.00 0.00 O ATOM 263 CB ARG A 36 -11.301 13.024 -1.820 1.00 0.00 C ATOM 264 CG ARG A 36 -11.127 14.391 -2.430 1.00 0.00 C ATOM 265 CD ARG A 36 -12.481 14.960 -2.844 1.00 0.00 C ATOM 266 NE ARG A 36 -13.427 14.953 -1.715 1.00 0.00 N ATOM 267 CZ ARG A 36 -13.646 15.980 -0.883 1.00 0.00 C ATOM 268 NH1 ARG A 36 -13.091 17.173 -1.120 1.00 0.00 N ATOM 269 NH2 ARG A 36 -14.441 15.811 0.169 1.00 0.00 N ATOM 0 H ARG A 36 -9.470 11.229 -2.541 1.00 0.00 H new ATOM 0 HA ARG A 36 -9.586 13.398 -0.629 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -11.513 12.311 -2.616 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -12.173 13.041 -1.167 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -10.648 15.058 -1.714 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -10.470 14.329 -3.297 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -12.354 15.979 -3.210 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -12.889 14.374 -3.668 1.00 0.00 H new ATOM 0 HE ARG A 36 -13.958 14.097 -1.554 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -12.497 17.305 -1.938 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -13.262 17.951 -0.482 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -14.878 14.905 0.337 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -14.613 16.587 0.808 1.00 0.00 H new ATOM 283 N GLY A 37 -11.153 12.378 1.112 1.00 0.00 N ATOM 284 CA GLY A 37 -11.662 11.745 2.281 1.00 0.00 C ATOM 285 C GLY A 37 -10.589 11.586 3.307 1.00 0.00 C ATOM 286 O GLY A 37 -9.502 12.184 3.189 1.00 0.00 O ATOM 0 H GLY A 37 -11.287 13.389 1.088 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -12.481 12.335 2.693 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -12.072 10.769 2.022 1.00 0.00 H new ATOM 290 N SER A 38 -10.858 10.810 4.303 1.00 0.00 N ATOM 291 CA SER A 38 -9.881 10.542 5.286 1.00 0.00 C ATOM 292 C SER A 38 -9.068 9.357 4.835 1.00 0.00 C ATOM 293 O SER A 38 -9.483 8.613 3.936 1.00 0.00 O ATOM 294 CB SER A 38 -10.520 10.282 6.655 1.00 0.00 C ATOM 295 OG SER A 38 -11.417 9.162 6.626 1.00 0.00 O ATOM 0 H SER A 38 -11.756 10.350 4.452 1.00 0.00 H new ATOM 0 HA SER A 38 -9.235 11.412 5.403 1.00 0.00 H new ATOM 0 HB2 SER A 38 -9.737 10.101 7.392 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.061 11.172 6.977 1.00 0.00 H new ATOM 0 HG SER A 38 -11.802 9.028 7.517 1.00 0.00 H new ATOM 301 N TYR A 39 -7.946 9.179 5.421 1.00 0.00 N ATOM 302 CA TYR A 39 -7.109 8.089 5.088 1.00 0.00 C ATOM 303 C TYR A 39 -6.734 7.395 6.354 1.00 0.00 C ATOM 304 O TYR A 39 -6.924 7.937 7.435 1.00 0.00 O ATOM 305 CB TYR A 39 -5.867 8.563 4.328 1.00 0.00 C ATOM 306 CG TYR A 39 -4.936 9.437 5.135 1.00 0.00 C ATOM 307 CD1 TYR A 39 -3.698 8.967 5.535 1.00 0.00 C ATOM 308 CD2 TYR A 39 -5.300 10.723 5.499 1.00 0.00 C ATOM 309 CE1 TYR A 39 -2.852 9.751 6.268 1.00 0.00 C ATOM 310 CE2 TYR A 39 -4.466 11.511 6.234 1.00 0.00 C ATOM 311 CZ TYR A 39 -3.239 11.023 6.616 1.00 0.00 C ATOM 312 OH TYR A 39 -2.390 11.809 7.333 1.00 0.00 O ATOM 0 H TYR A 39 -7.578 9.789 6.151 1.00 0.00 H new ATOM 0 HA TYR A 39 -7.637 7.399 4.429 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -5.315 7.690 3.979 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -6.186 9.113 3.443 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -3.396 7.966 5.264 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -6.262 11.108 5.195 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -1.887 9.374 6.572 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -4.766 12.510 6.514 1.00 0.00 H new ATOM 0 HH TYR A 39 -1.464 11.570 7.119 1.00 0.00 H new ATOM 322 N ILE A 40 -6.237 6.237 6.231 1.00 0.00 N ATOM 323 CA ILE A 40 -5.823 5.457 7.352 1.00 0.00 C ATOM 324 C ILE A 40 -4.322 5.287 7.248 1.00 0.00 C ATOM 325 O ILE A 40 -3.770 5.379 6.139 1.00 0.00 O ATOM 326 CB ILE A 40 -6.519 4.064 7.325 1.00 0.00 C ATOM 327 CG1 ILE A 40 -6.197 3.249 8.593 1.00 0.00 C ATOM 328 CG2 ILE A 40 -6.098 3.305 6.071 1.00 0.00 C ATOM 329 CD1 ILE A 40 -6.899 1.910 8.666 1.00 0.00 C ATOM 0 H ILE A 40 -6.096 5.778 5.331 1.00 0.00 H new ATOM 0 HA ILE A 40 -6.095 5.950 8.285 1.00 0.00 H new ATOM 0 HB ILE A 40 -7.598 4.217 7.304 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -5.121 3.085 8.642 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -6.470 3.838 9.469 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -6.586 2.331 6.054 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -6.390 3.872 5.187 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -5.017 3.169 6.074 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -6.618 1.402 9.588 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -7.978 2.064 8.651 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -6.607 1.299 7.812 1.00 0.00 H new ATOM 341 N GLU A 41 -3.664 5.098 8.347 1.00 0.00 N ATOM 342 CA GLU A 41 -2.265 4.846 8.315 1.00 0.00 C ATOM 343 C GLU A 41 -2.031 3.386 8.631 1.00 0.00 C ATOM 344 O GLU A 41 -2.507 2.864 9.649 1.00 0.00 O ATOM 345 CB GLU A 41 -1.552 5.712 9.339 1.00 0.00 C ATOM 346 CG GLU A 41 -1.600 7.200 9.054 1.00 0.00 C ATOM 347 CD GLU A 41 -1.111 8.008 10.222 1.00 0.00 C ATOM 348 OE1 GLU A 41 0.110 8.112 10.432 1.00 0.00 O ATOM 349 OE2 GLU A 41 -1.939 8.536 10.981 1.00 0.00 O ATOM 0 H GLU A 41 -4.078 5.114 9.279 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.872 5.084 7.326 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.993 5.529 10.319 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.509 5.400 9.395 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.991 7.422 8.178 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.622 7.491 8.813 1.00 0.00 H new ATOM 356 N VAL A 42 -1.336 2.737 7.756 1.00 0.00 N ATOM 357 CA VAL A 42 -0.966 1.359 7.920 1.00 0.00 C ATOM 358 C VAL A 42 0.532 1.300 7.939 1.00 0.00 C ATOM 359 O VAL A 42 1.190 1.934 7.108 1.00 0.00 O ATOM 360 CB VAL A 42 -1.524 0.504 6.758 1.00 0.00 C ATOM 361 CG1 VAL A 42 -1.119 -0.955 6.874 1.00 0.00 C ATOM 362 CG2 VAL A 42 -3.030 0.629 6.676 1.00 0.00 C ATOM 0 H VAL A 42 -1.000 3.153 6.887 1.00 0.00 H new ATOM 0 HA VAL A 42 -1.380 0.960 8.846 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.087 0.891 5.838 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -1.534 -1.515 6.036 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.032 -1.033 6.860 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.500 -1.365 7.809 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.401 0.020 5.852 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.475 0.286 7.610 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.300 1.671 6.507 1.00 0.00 H new ATOM 372 N TYR A 43 1.066 0.583 8.877 1.00 0.00 N ATOM 373 CA TYR A 43 2.492 0.531 9.069 1.00 0.00 C ATOM 374 C TYR A 43 3.016 -0.886 8.841 1.00 0.00 C ATOM 375 O TYR A 43 4.156 -1.081 8.380 1.00 0.00 O ATOM 376 CB TYR A 43 2.827 0.987 10.501 1.00 0.00 C ATOM 377 CG TYR A 43 2.181 2.315 10.905 1.00 0.00 C ATOM 378 CD1 TYR A 43 2.757 3.535 10.573 1.00 0.00 C ATOM 379 CD2 TYR A 43 0.988 2.335 11.622 1.00 0.00 C ATOM 380 CE1 TYR A 43 2.162 4.733 10.949 1.00 0.00 C ATOM 381 CE2 TYR A 43 0.393 3.522 11.994 1.00 0.00 C ATOM 382 CZ TYR A 43 0.981 4.717 11.658 1.00 0.00 C ATOM 383 OH TYR A 43 0.381 5.911 12.042 1.00 0.00 O ATOM 0 H TYR A 43 0.531 0.015 9.534 1.00 0.00 H new ATOM 0 HA TYR A 43 2.971 1.194 8.348 1.00 0.00 H new ATOM 0 HB2 TYR A 43 2.509 0.214 11.200 1.00 0.00 H new ATOM 0 HB3 TYR A 43 3.909 1.078 10.597 1.00 0.00 H new ATOM 0 HD1 TYR A 43 3.681 3.552 10.014 1.00 0.00 H new ATOM 0 HD2 TYR A 43 0.518 1.401 11.893 1.00 0.00 H new ATOM 0 HE1 TYR A 43 2.624 5.673 10.686 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -0.534 3.512 12.549 1.00 0.00 H new ATOM 0 HH TYR A 43 0.634 6.621 11.416 1.00 0.00 H new ATOM 393 N LYS A 44 2.176 -1.857 9.122 1.00 0.00 N ATOM 394 CA LYS A 44 2.550 -3.261 9.063 1.00 0.00 C ATOM 395 C LYS A 44 1.649 -4.000 8.083 1.00 0.00 C ATOM 396 O LYS A 44 0.599 -3.494 7.700 1.00 0.00 O ATOM 397 CB LYS A 44 2.410 -3.900 10.449 1.00 0.00 C ATOM 398 CG LYS A 44 0.982 -3.921 10.946 1.00 0.00 C ATOM 399 CD LYS A 44 0.856 -4.568 12.299 1.00 0.00 C ATOM 400 CE LYS A 44 -0.603 -4.691 12.683 1.00 0.00 C ATOM 401 NZ LYS A 44 -0.798 -5.385 13.970 1.00 0.00 N ATOM 0 H LYS A 44 1.207 -1.699 9.400 1.00 0.00 H new ATOM 0 HA LYS A 44 3.586 -3.331 8.731 1.00 0.00 H new ATOM 0 HB2 LYS A 44 2.792 -4.920 10.413 1.00 0.00 H new ATOM 0 HB3 LYS A 44 3.029 -3.353 11.160 1.00 0.00 H new ATOM 0 HG2 LYS A 44 0.603 -2.900 10.997 1.00 0.00 H new ATOM 0 HG3 LYS A 44 0.359 -4.457 10.230 1.00 0.00 H new ATOM 0 HD2 LYS A 44 1.320 -5.554 12.284 1.00 0.00 H new ATOM 0 HD3 LYS A 44 1.388 -3.977 13.044 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -1.044 -3.696 12.741 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -1.136 -5.230 11.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -1.814 -5.441 14.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -0.403 -6.345 13.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -0.314 -4.858 14.725 1.00 0.00 H new ATOM 415 N SER A 45 2.070 -5.166 7.675 1.00 0.00 N ATOM 416 CA SER A 45 1.279 -6.004 6.795 1.00 0.00 C ATOM 417 C SER A 45 0.146 -6.653 7.608 1.00 0.00 C ATOM 418 O SER A 45 0.335 -7.009 8.778 1.00 0.00 O ATOM 419 CB SER A 45 2.168 -7.104 6.224 1.00 0.00 C ATOM 420 OG SER A 45 3.370 -6.570 5.694 1.00 0.00 O ATOM 0 H SER A 45 2.969 -5.568 7.939 1.00 0.00 H new ATOM 0 HA SER A 45 0.863 -5.403 5.986 1.00 0.00 H new ATOM 0 HB2 SER A 45 2.402 -7.828 7.005 1.00 0.00 H new ATOM 0 HB3 SER A 45 1.630 -7.641 5.443 1.00 0.00 H new ATOM 0 HG SER A 45 4.123 -6.829 6.265 1.00 0.00 H new ATOM 426 N VAL A 46 -0.997 -6.810 7.008 1.00 0.00 N ATOM 427 CA VAL A 46 -2.116 -7.399 7.682 1.00 0.00 C ATOM 428 C VAL A 46 -2.556 -8.646 6.911 1.00 0.00 C ATOM 429 O VAL A 46 -2.586 -8.640 5.679 1.00 0.00 O ATOM 430 CB VAL A 46 -3.293 -6.384 7.841 1.00 0.00 C ATOM 431 CG1 VAL A 46 -3.922 -6.013 6.513 1.00 0.00 C ATOM 432 CG2 VAL A 46 -4.323 -6.893 8.825 1.00 0.00 C ATOM 0 H VAL A 46 -1.179 -6.535 6.043 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.816 -7.683 8.690 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.869 -5.466 8.247 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.734 -5.306 6.680 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.170 -5.557 5.869 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.315 -6.910 6.033 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.130 -6.166 8.915 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.727 -7.842 8.471 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.855 -7.039 9.799 1.00 0.00 H new ATOM 442 N GLY A 47 -2.854 -9.709 7.611 1.00 0.00 N ATOM 443 CA GLY A 47 -3.238 -10.926 6.938 1.00 0.00 C ATOM 444 C GLY A 47 -4.737 -11.090 6.822 1.00 0.00 C ATOM 445 O GLY A 47 -5.217 -11.843 5.977 1.00 0.00 O ATOM 0 H GLY A 47 -2.840 -9.760 8.630 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.799 -10.937 5.941 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.826 -11.779 7.477 1.00 0.00 H new ATOM 449 N SER A 48 -5.476 -10.373 7.628 1.00 0.00 N ATOM 450 CA SER A 48 -6.904 -10.493 7.623 1.00 0.00 C ATOM 451 C SER A 48 -7.540 -9.205 8.091 1.00 0.00 C ATOM 452 O SER A 48 -7.122 -8.614 9.099 1.00 0.00 O ATOM 453 CB SER A 48 -7.349 -11.670 8.509 1.00 0.00 C ATOM 454 OG SER A 48 -8.753 -11.878 8.450 1.00 0.00 O ATOM 0 H SER A 48 -5.107 -9.698 8.298 1.00 0.00 H new ATOM 0 HA SER A 48 -7.233 -10.690 6.603 1.00 0.00 H new ATOM 0 HB2 SER A 48 -6.834 -12.577 8.192 1.00 0.00 H new ATOM 0 HB3 SER A 48 -7.054 -11.479 9.541 1.00 0.00 H new ATOM 0 HG SER A 48 -8.996 -12.634 9.024 1.00 0.00 H new ATOM 460 N LEU A 49 -8.504 -8.758 7.339 1.00 0.00 N ATOM 461 CA LEU A 49 -9.264 -7.586 7.651 1.00 0.00 C ATOM 462 C LEU A 49 -10.712 -7.958 7.708 1.00 0.00 C ATOM 463 O LEU A 49 -11.275 -8.450 6.718 1.00 0.00 O ATOM 464 CB LEU A 49 -9.031 -6.542 6.560 1.00 0.00 C ATOM 465 CG LEU A 49 -7.628 -5.950 6.535 1.00 0.00 C ATOM 466 CD1 LEU A 49 -7.415 -5.128 5.290 1.00 0.00 C ATOM 467 CD2 LEU A 49 -7.413 -5.099 7.769 1.00 0.00 C ATOM 0 H LEU A 49 -8.789 -9.211 6.471 1.00 0.00 H new ATOM 0 HA LEU A 49 -8.958 -7.173 8.612 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -9.236 -6.997 5.591 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -9.750 -5.733 6.691 1.00 0.00 H new ATOM 0 HG LEU A 49 -6.904 -6.765 6.529 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -6.406 -4.716 5.295 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -7.545 -5.759 4.411 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -8.140 -4.314 5.263 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -6.408 -4.676 7.749 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -8.146 -4.292 7.787 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -7.530 -5.715 8.661 1.00 0.00 H new ATOM 479 N SER A 50 -11.300 -7.793 8.861 1.00 0.00 N ATOM 480 CA SER A 50 -12.696 -8.059 9.043 1.00 0.00 C ATOM 481 C SER A 50 -13.346 -6.884 9.792 1.00 0.00 C ATOM 482 O SER A 50 -13.027 -6.639 10.966 1.00 0.00 O ATOM 483 CB SER A 50 -12.891 -9.371 9.787 1.00 0.00 C ATOM 484 OG SER A 50 -12.101 -10.402 9.191 1.00 0.00 O ATOM 0 H SER A 50 -10.821 -7.469 9.702 1.00 0.00 H new ATOM 0 HA SER A 50 -13.180 -8.159 8.072 1.00 0.00 H new ATOM 0 HB2 SER A 50 -12.611 -9.248 10.833 1.00 0.00 H new ATOM 0 HB3 SER A 50 -13.943 -9.654 9.769 1.00 0.00 H new ATOM 0 HG SER A 50 -12.235 -11.241 9.680 1.00 0.00 H new ATOM 490 N PRO A 51 -14.204 -6.113 9.130 1.00 0.00 N ATOM 491 CA PRO A 51 -14.543 -6.321 7.731 1.00 0.00 C ATOM 492 C PRO A 51 -13.427 -5.783 6.820 1.00 0.00 C ATOM 493 O PRO A 51 -12.596 -4.977 7.270 1.00 0.00 O ATOM 494 CB PRO A 51 -15.821 -5.489 7.532 1.00 0.00 C ATOM 495 CG PRO A 51 -16.146 -4.885 8.864 1.00 0.00 C ATOM 496 CD PRO A 51 -14.899 -4.957 9.688 1.00 0.00 C ATOM 0 HA PRO A 51 -14.673 -7.375 7.486 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -15.666 -4.714 6.782 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -16.641 -6.115 7.179 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -16.475 -3.852 8.750 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -16.960 -5.427 9.346 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -14.304 -4.048 9.601 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -15.122 -5.092 10.746 1.00 0.00 H new ATOM 504 N PRO A 52 -13.365 -6.230 5.550 1.00 0.00 N ATOM 505 CA PRO A 52 -12.351 -5.759 4.609 1.00 0.00 C ATOM 506 C PRO A 52 -12.480 -4.252 4.372 1.00 0.00 C ATOM 507 O PRO A 52 -13.562 -3.658 4.588 1.00 0.00 O ATOM 508 CB PRO A 52 -12.646 -6.538 3.314 1.00 0.00 C ATOM 509 CG PRO A 52 -14.037 -7.036 3.463 1.00 0.00 C ATOM 510 CD PRO A 52 -14.271 -7.216 4.940 1.00 0.00 C ATOM 0 HA PRO A 52 -11.338 -5.922 4.977 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -12.550 -5.896 2.438 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -11.945 -7.362 3.183 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -14.750 -6.328 3.041 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -14.171 -7.978 2.931 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -15.310 -7.027 5.208 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -14.038 -8.230 5.263 1.00 0.00 H new ATOM 518 N TRP A 53 -11.415 -3.642 3.938 1.00 0.00 N ATOM 519 CA TRP A 53 -11.401 -2.215 3.723 1.00 0.00 C ATOM 520 C TRP A 53 -11.820 -1.927 2.326 1.00 0.00 C ATOM 521 O TRP A 53 -11.373 -2.592 1.409 1.00 0.00 O ATOM 522 CB TRP A 53 -10.002 -1.623 3.959 1.00 0.00 C ATOM 523 CG TRP A 53 -9.530 -1.690 5.384 1.00 0.00 C ATOM 524 CD1 TRP A 53 -10.303 -1.803 6.496 1.00 0.00 C ATOM 525 CD2 TRP A 53 -8.177 -1.623 5.853 1.00 0.00 C ATOM 526 NE1 TRP A 53 -9.525 -1.829 7.612 1.00 0.00 N ATOM 527 CE2 TRP A 53 -8.222 -1.715 7.254 1.00 0.00 C ATOM 528 CE3 TRP A 53 -6.936 -1.507 5.232 1.00 0.00 C ATOM 529 CZ2 TRP A 53 -7.079 -1.687 8.045 1.00 0.00 C ATOM 530 CZ3 TRP A 53 -5.803 -1.481 6.024 1.00 0.00 C ATOM 531 CH2 TRP A 53 -5.882 -1.575 7.413 1.00 0.00 C ATOM 0 H TRP A 53 -10.535 -4.111 3.723 1.00 0.00 H new ATOM 0 HA TRP A 53 -12.090 -1.758 4.433 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -9.287 -2.150 3.327 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -10.003 -0.581 3.638 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -11.381 -1.864 6.494 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -9.868 -1.920 8.568 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -6.860 -1.439 4.157 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -7.141 -1.752 9.121 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -4.834 -1.386 5.556 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -4.974 -1.558 7.997 1.00 0.00 H new ATOM 542 N THR A 54 -12.665 -0.959 2.159 1.00 0.00 N ATOM 543 CA THR A 54 -13.110 -0.564 0.856 1.00 0.00 C ATOM 544 C THR A 54 -12.689 0.887 0.568 1.00 0.00 C ATOM 545 O THR A 54 -13.504 1.809 0.691 1.00 0.00 O ATOM 546 CB THR A 54 -14.644 -0.712 0.728 1.00 0.00 C ATOM 547 OG1 THR A 54 -15.293 -0.024 1.821 1.00 0.00 O ATOM 548 CG2 THR A 54 -15.048 -2.180 0.741 1.00 0.00 C ATOM 0 H THR A 54 -13.068 -0.417 2.924 1.00 0.00 H new ATOM 0 HA THR A 54 -12.642 -1.220 0.122 1.00 0.00 H new ATOM 0 HB THR A 54 -14.955 -0.273 -0.220 1.00 0.00 H new ATOM 0 HG1 THR A 54 -14.980 0.904 1.855 1.00 0.00 H new ATOM 0 HG21 THR A 54 -16.131 -2.260 0.650 1.00 0.00 H new ATOM 0 HG22 THR A 54 -14.574 -2.695 -0.095 1.00 0.00 H new ATOM 0 HG23 THR A 54 -14.728 -2.637 1.677 1.00 0.00 H new ATOM 556 N PRO A 55 -11.400 1.128 0.274 1.00 0.00 N ATOM 557 CA PRO A 55 -10.904 2.465 0.022 1.00 0.00 C ATOM 558 C PRO A 55 -11.311 3.004 -1.342 1.00 0.00 C ATOM 559 O PRO A 55 -11.637 2.247 -2.267 1.00 0.00 O ATOM 560 CB PRO A 55 -9.394 2.294 0.087 1.00 0.00 C ATOM 561 CG PRO A 55 -9.171 0.909 -0.376 1.00 0.00 C ATOM 562 CD PRO A 55 -10.316 0.127 0.180 1.00 0.00 C ATOM 0 HA PRO A 55 -11.307 3.182 0.737 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -8.883 3.015 -0.551 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -9.019 2.442 1.100 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -9.148 0.856 -1.464 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -8.217 0.522 -0.018 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -10.590 -0.703 -0.472 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -10.076 -0.299 1.154 1.00 0.00 H new ATOM 570 N GLY A 56 -11.300 4.300 -1.453 1.00 0.00 N ATOM 571 CA GLY A 56 -11.605 4.947 -2.688 1.00 0.00 C ATOM 572 C GLY A 56 -10.359 5.117 -3.505 1.00 0.00 C ATOM 573 O GLY A 56 -10.392 5.063 -4.728 1.00 0.00 O ATOM 0 H GLY A 56 -11.079 4.936 -0.687 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -12.336 4.360 -3.244 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -12.058 5.920 -2.495 1.00 0.00 H new ATOM 577 N SER A 57 -9.248 5.292 -2.827 1.00 0.00 N ATOM 578 CA SER A 57 -7.971 5.450 -3.467 1.00 0.00 C ATOM 579 C SER A 57 -6.874 5.052 -2.491 1.00 0.00 C ATOM 580 O SER A 57 -7.083 5.083 -1.281 1.00 0.00 O ATOM 581 CB SER A 57 -7.793 6.893 -4.008 1.00 0.00 C ATOM 582 OG SER A 57 -8.040 7.880 -3.021 1.00 0.00 O ATOM 0 H SER A 57 -9.209 5.328 -1.808 1.00 0.00 H new ATOM 0 HA SER A 57 -7.909 4.793 -4.335 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.779 7.012 -4.389 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.469 7.048 -4.849 1.00 0.00 H new ATOM 0 HG SER A 57 -9.005 7.958 -2.871 1.00 0.00 H new ATOM 588 N VAL A 58 -5.747 4.626 -3.001 1.00 0.00 N ATOM 589 CA VAL A 58 -4.635 4.200 -2.161 1.00 0.00 C ATOM 590 C VAL A 58 -3.397 4.920 -2.636 1.00 0.00 C ATOM 591 O VAL A 58 -3.252 5.126 -3.833 1.00 0.00 O ATOM 592 CB VAL A 58 -4.376 2.666 -2.301 1.00 0.00 C ATOM 593 CG1 VAL A 58 -3.300 2.200 -1.343 1.00 0.00 C ATOM 594 CG2 VAL A 58 -5.646 1.855 -2.115 1.00 0.00 C ATOM 0 H VAL A 58 -5.565 4.561 -4.003 1.00 0.00 H new ATOM 0 HA VAL A 58 -4.872 4.425 -1.121 1.00 0.00 H new ATOM 0 HB VAL A 58 -4.025 2.497 -3.319 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.143 1.128 -1.465 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.371 2.729 -1.554 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -3.610 2.407 -0.319 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -5.419 0.794 -2.221 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -6.055 2.041 -1.122 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -6.377 2.146 -2.869 1.00 0.00 H new ATOM 604 N CYS A 59 -2.523 5.314 -1.746 1.00 0.00 N ATOM 605 CA CYS A 59 -1.302 5.949 -2.175 1.00 0.00 C ATOM 606 C CYS A 59 -0.143 5.590 -1.263 1.00 0.00 C ATOM 607 O CYS A 59 -0.340 5.242 -0.082 1.00 0.00 O ATOM 608 CB CYS A 59 -1.458 7.472 -2.289 1.00 0.00 C ATOM 609 SG CYS A 59 -0.029 8.280 -3.094 1.00 0.00 S ATOM 0 H CYS A 59 -2.629 5.210 -0.737 1.00 0.00 H new ATOM 0 HA CYS A 59 -1.078 5.568 -3.171 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -2.362 7.697 -2.855 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -1.592 7.893 -1.293 1.00 0.00 H new ATOM 614 N VAL A 60 1.048 5.629 -1.828 1.00 0.00 N ATOM 615 CA VAL A 60 2.275 5.382 -1.109 1.00 0.00 C ATOM 616 C VAL A 60 3.157 6.632 -1.234 1.00 0.00 C ATOM 617 O VAL A 60 3.362 7.138 -2.349 1.00 0.00 O ATOM 618 CB VAL A 60 3.037 4.145 -1.683 1.00 0.00 C ATOM 619 CG1 VAL A 60 4.332 3.877 -0.919 1.00 0.00 C ATOM 620 CG2 VAL A 60 2.155 2.910 -1.657 1.00 0.00 C ATOM 0 H VAL A 60 1.189 5.837 -2.817 1.00 0.00 H new ATOM 0 HA VAL A 60 2.041 5.169 -0.066 1.00 0.00 H new ATOM 0 HB VAL A 60 3.295 4.375 -2.717 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.834 3.009 -1.347 1.00 0.00 H new ATOM 0 HG12 VAL A 60 4.985 4.747 -0.993 1.00 0.00 H new ATOM 0 HG13 VAL A 60 4.103 3.683 0.129 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.706 2.061 -2.061 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.860 2.695 -0.630 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.265 3.086 -2.261 1.00 0.00 H new ATOM 630 N PRO A 61 3.662 7.154 -0.106 1.00 0.00 N ATOM 631 CA PRO A 61 4.508 8.358 -0.084 1.00 0.00 C ATOM 632 C PRO A 61 5.814 8.168 -0.863 1.00 0.00 C ATOM 633 O PRO A 61 6.430 7.088 -0.823 1.00 0.00 O ATOM 634 CB PRO A 61 4.809 8.552 1.409 1.00 0.00 C ATOM 635 CG PRO A 61 4.582 7.211 2.007 1.00 0.00 C ATOM 636 CD PRO A 61 3.452 6.618 1.240 1.00 0.00 C ATOM 0 HA PRO A 61 4.014 9.209 -0.553 1.00 0.00 H new ATOM 0 HB2 PRO A 61 5.833 8.890 1.568 1.00 0.00 H new ATOM 0 HB3 PRO A 61 4.154 9.301 1.853 1.00 0.00 H new ATOM 0 HG2 PRO A 61 5.476 6.591 1.931 1.00 0.00 H new ATOM 0 HG3 PRO A 61 4.338 7.290 3.066 1.00 0.00 H new ATOM 0 HD2 PRO A 61 3.482 5.528 1.251 1.00 0.00 H new ATOM 0 HD3 PRO A 61 2.486 6.914 1.648 1.00 0.00 H new ATOM 644 N PHE A 62 6.223 9.193 -1.573 1.00 0.00 N ATOM 645 CA PHE A 62 7.434 9.149 -2.339 1.00 0.00 C ATOM 646 C PHE A 62 8.632 9.250 -1.435 1.00 0.00 C ATOM 647 O PHE A 62 8.881 10.286 -0.809 1.00 0.00 O ATOM 648 CB PHE A 62 7.478 10.248 -3.409 1.00 0.00 C ATOM 649 CG PHE A 62 8.743 10.221 -4.223 1.00 0.00 C ATOM 650 CD1 PHE A 62 9.688 11.226 -4.106 1.00 0.00 C ATOM 651 CD2 PHE A 62 8.992 9.177 -5.089 1.00 0.00 C ATOM 652 CE1 PHE A 62 10.853 11.183 -4.843 1.00 0.00 C ATOM 653 CE2 PHE A 62 10.153 9.132 -5.826 1.00 0.00 C ATOM 654 CZ PHE A 62 11.083 10.132 -5.703 1.00 0.00 C ATOM 0 H PHE A 62 5.721 10.079 -1.632 1.00 0.00 H new ATOM 0 HA PHE A 62 7.457 8.189 -2.855 1.00 0.00 H new ATOM 0 HB2 PHE A 62 6.622 10.136 -4.074 1.00 0.00 H new ATOM 0 HB3 PHE A 62 7.382 11.221 -2.927 1.00 0.00 H new ATOM 0 HD1 PHE A 62 9.511 12.051 -3.432 1.00 0.00 H new ATOM 0 HD2 PHE A 62 8.266 8.384 -5.190 1.00 0.00 H new ATOM 0 HE1 PHE A 62 11.584 11.972 -4.746 1.00 0.00 H new ATOM 0 HE2 PHE A 62 10.332 8.309 -6.502 1.00 0.00 H new ATOM 0 HZ PHE A 62 11.995 10.096 -6.280 1.00 0.00 H new ATOM 664 N VAL A 63 9.364 8.186 -1.362 1.00 0.00 N ATOM 665 CA VAL A 63 10.536 8.152 -0.568 1.00 0.00 C ATOM 666 C VAL A 63 11.738 8.493 -1.426 1.00 0.00 C ATOM 667 O VAL A 63 12.045 7.802 -2.389 1.00 0.00 O ATOM 668 CB VAL A 63 10.717 6.776 0.138 1.00 0.00 C ATOM 669 CG1 VAL A 63 11.954 6.755 1.005 1.00 0.00 C ATOM 670 CG2 VAL A 63 9.481 6.449 0.961 1.00 0.00 C ATOM 0 H VAL A 63 9.160 7.317 -1.855 1.00 0.00 H new ATOM 0 HA VAL A 63 10.440 8.897 0.222 1.00 0.00 H new ATOM 0 HB VAL A 63 10.845 6.015 -0.631 1.00 0.00 H new ATOM 0 HG11 VAL A 63 12.048 5.779 1.482 1.00 0.00 H new ATOM 0 HG12 VAL A 63 12.833 6.944 0.389 1.00 0.00 H new ATOM 0 HG13 VAL A 63 11.875 7.527 1.771 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.615 5.485 1.452 1.00 0.00 H new ATOM 0 HG22 VAL A 63 9.331 7.222 1.715 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.610 6.405 0.307 1.00 0.00 H new ATOM 680 N ASN A 64 12.344 9.599 -1.090 1.00 0.00 N ATOM 681 CA ASN A 64 13.560 10.113 -1.728 1.00 0.00 C ATOM 682 C ASN A 64 14.634 10.180 -0.658 1.00 0.00 C ATOM 683 O ASN A 64 15.681 10.817 -0.801 1.00 0.00 O ATOM 684 CB ASN A 64 13.301 11.505 -2.336 1.00 0.00 C ATOM 685 CG ASN A 64 12.774 12.517 -1.330 1.00 0.00 C ATOM 686 OD1 ASN A 64 13.528 13.241 -0.694 1.00 0.00 O ATOM 687 ND2 ASN A 64 11.475 12.581 -1.180 1.00 0.00 N ATOM 0 H ASN A 64 12.005 10.200 -0.339 1.00 0.00 H new ATOM 0 HA ASN A 64 13.876 9.461 -2.542 1.00 0.00 H new ATOM 0 HB2 ASN A 64 14.228 11.882 -2.768 1.00 0.00 H new ATOM 0 HB3 ASN A 64 12.585 11.409 -3.152 1.00 0.00 H new ATOM 0 HD21 ASN A 64 11.070 13.246 -0.521 1.00 0.00 H new ATOM 0 HD22 ASN A 64 10.868 11.966 -1.722 1.00 0.00 H new ATOM 694 N ASP A 65 14.322 9.486 0.403 1.00 0.00 N ATOM 695 CA ASP A 65 15.126 9.322 1.595 1.00 0.00 C ATOM 696 C ASP A 65 16.372 8.538 1.258 1.00 0.00 C ATOM 697 O ASP A 65 16.358 7.719 0.335 1.00 0.00 O ATOM 698 CB ASP A 65 14.333 8.570 2.661 1.00 0.00 C ATOM 699 CG ASP A 65 14.922 8.668 4.055 1.00 0.00 C ATOM 700 OD1 ASP A 65 16.031 8.176 4.307 1.00 0.00 O ATOM 701 OD2 ASP A 65 14.235 9.208 4.947 1.00 0.00 O ATOM 0 H ASP A 65 13.437 8.983 0.466 1.00 0.00 H new ATOM 0 HA ASP A 65 15.400 10.306 1.977 1.00 0.00 H new ATOM 0 HB2 ASP A 65 13.314 8.957 2.681 1.00 0.00 H new ATOM 0 HB3 ASP A 65 14.270 7.519 2.378 1.00 0.00 H new ATOM 706 N THR A 66 17.447 8.835 1.940 1.00 0.00 N ATOM 707 CA THR A 66 18.715 8.159 1.778 1.00 0.00 C ATOM 708 C THR A 66 18.568 6.602 1.917 1.00 0.00 C ATOM 709 O THR A 66 19.413 5.847 1.393 1.00 0.00 O ATOM 710 CB THR A 66 19.656 8.660 2.877 1.00 0.00 C ATOM 711 OG1 THR A 66 19.571 10.096 2.943 1.00 0.00 O ATOM 712 CG2 THR A 66 21.089 8.261 2.595 1.00 0.00 C ATOM 0 H THR A 66 17.469 9.573 2.643 1.00 0.00 H new ATOM 0 HA THR A 66 19.101 8.373 0.781 1.00 0.00 H new ATOM 0 HB THR A 66 19.355 8.212 3.824 1.00 0.00 H new ATOM 0 HG1 THR A 66 20.169 10.427 3.645 1.00 0.00 H new ATOM 0 HG21 THR A 66 21.733 8.631 3.393 1.00 0.00 H new ATOM 0 HG22 THR A 66 21.161 7.175 2.545 1.00 0.00 H new ATOM 0 HG23 THR A 66 21.406 8.690 1.644 1.00 0.00 H new ATOM 720 N LYS A 67 17.500 6.146 2.616 1.00 0.00 N ATOM 721 CA LYS A 67 17.201 4.711 2.772 1.00 0.00 C ATOM 722 C LYS A 67 17.122 4.057 1.404 1.00 0.00 C ATOM 723 O LYS A 67 16.296 4.437 0.573 1.00 0.00 O ATOM 724 CB LYS A 67 15.858 4.494 3.478 1.00 0.00 C ATOM 725 CG LYS A 67 15.694 5.238 4.780 1.00 0.00 C ATOM 726 CD LYS A 67 16.769 4.894 5.781 1.00 0.00 C ATOM 727 CE LYS A 67 16.674 5.798 6.990 1.00 0.00 C ATOM 728 NZ LYS A 67 16.949 7.220 6.648 1.00 0.00 N ATOM 0 H LYS A 67 16.831 6.760 3.081 1.00 0.00 H new ATOM 0 HA LYS A 67 17.998 4.271 3.372 1.00 0.00 H new ATOM 0 HB2 LYS A 67 15.057 4.794 2.802 1.00 0.00 H new ATOM 0 HB3 LYS A 67 15.733 3.428 3.668 1.00 0.00 H new ATOM 0 HG2 LYS A 67 15.712 6.311 4.587 1.00 0.00 H new ATOM 0 HG3 LYS A 67 14.718 5.007 5.206 1.00 0.00 H new ATOM 0 HD2 LYS A 67 16.668 3.853 6.089 1.00 0.00 H new ATOM 0 HD3 LYS A 67 17.751 4.996 5.319 1.00 0.00 H new ATOM 0 HE2 LYS A 67 15.678 5.716 7.426 1.00 0.00 H new ATOM 0 HE3 LYS A 67 17.382 5.464 7.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 16.923 7.796 7.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 17.889 7.296 6.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 16.227 7.563 5.982 1.00 0.00 H new ATOM 742 N ARG A 68 17.956 3.071 1.186 1.00 0.00 N ATOM 743 CA ARG A 68 18.066 2.431 -0.110 1.00 0.00 C ATOM 744 C ARG A 68 16.883 1.539 -0.402 1.00 0.00 C ATOM 745 O ARG A 68 16.542 1.307 -1.567 1.00 0.00 O ATOM 746 CB ARG A 68 19.380 1.676 -0.229 1.00 0.00 C ATOM 747 CG ARG A 68 20.586 2.590 -0.185 1.00 0.00 C ATOM 748 CD ARG A 68 21.892 1.831 -0.266 1.00 0.00 C ATOM 749 NE ARG A 68 23.030 2.753 -0.320 1.00 0.00 N ATOM 750 CZ ARG A 68 24.318 2.418 -0.198 1.00 0.00 C ATOM 751 NH1 ARG A 68 24.673 1.173 0.087 1.00 0.00 N ATOM 752 NH2 ARG A 68 25.249 3.345 -0.340 1.00 0.00 N ATOM 0 H ARG A 68 18.578 2.687 1.897 1.00 0.00 H new ATOM 0 HA ARG A 68 18.060 3.216 -0.866 1.00 0.00 H new ATOM 0 HB2 ARG A 68 19.451 0.949 0.580 1.00 0.00 H new ATOM 0 HB3 ARG A 68 19.388 1.115 -1.164 1.00 0.00 H new ATOM 0 HG2 ARG A 68 20.530 3.300 -1.010 1.00 0.00 H new ATOM 0 HG3 ARG A 68 20.564 3.171 0.737 1.00 0.00 H new ATOM 0 HD2 ARG A 68 21.991 1.176 0.599 1.00 0.00 H new ATOM 0 HD3 ARG A 68 21.893 1.194 -1.150 1.00 0.00 H new ATOM 0 HE ARG A 68 22.820 3.741 -0.464 1.00 0.00 H new ATOM 0 HH11 ARG A 68 23.959 0.456 0.216 1.00 0.00 H new ATOM 0 HH12 ARG A 68 25.660 0.932 0.177 1.00 0.00 H new ATOM 0 HH21 ARG A 68 24.983 4.309 -0.541 1.00 0.00 H new ATOM 0 HH22 ARG A 68 26.234 3.097 -0.248 1.00 0.00 H new ATOM 766 N GLU A 69 16.255 1.060 0.637 1.00 0.00 N ATOM 767 CA GLU A 69 15.079 0.265 0.484 1.00 0.00 C ATOM 768 C GLU A 69 13.860 1.171 0.531 1.00 0.00 C ATOM 769 O GLU A 69 13.689 1.973 1.453 1.00 0.00 O ATOM 770 CB GLU A 69 14.968 -0.817 1.577 1.00 0.00 C ATOM 771 CG GLU A 69 15.912 -2.020 1.427 1.00 0.00 C ATOM 772 CD GLU A 69 17.378 -1.669 1.455 1.00 0.00 C ATOM 773 OE1 GLU A 69 18.065 -1.816 0.425 1.00 0.00 O ATOM 774 OE2 GLU A 69 17.874 -1.244 2.526 1.00 0.00 O ATOM 0 H GLU A 69 16.545 1.211 1.603 1.00 0.00 H new ATOM 0 HA GLU A 69 15.136 -0.247 -0.477 1.00 0.00 H new ATOM 0 HB2 GLU A 69 15.156 -0.350 2.544 1.00 0.00 H new ATOM 0 HB3 GLU A 69 13.942 -1.185 1.595 1.00 0.00 H new ATOM 0 HG2 GLU A 69 15.706 -2.730 2.228 1.00 0.00 H new ATOM 0 HG3 GLU A 69 15.690 -2.526 0.487 1.00 0.00 H new ATOM 781 N ARG A 70 13.038 1.050 -0.450 1.00 0.00 N ATOM 782 CA ARG A 70 11.810 1.793 -0.543 1.00 0.00 C ATOM 783 C ARG A 70 10.668 0.913 -0.094 1.00 0.00 C ATOM 784 O ARG A 70 10.770 -0.297 -0.167 1.00 0.00 O ATOM 785 CB ARG A 70 11.558 2.236 -1.984 1.00 0.00 C ATOM 786 CG ARG A 70 12.049 3.630 -2.373 1.00 0.00 C ATOM 787 CD ARG A 70 13.517 3.876 -2.123 1.00 0.00 C ATOM 788 NE ARG A 70 14.005 4.957 -2.994 1.00 0.00 N ATOM 789 CZ ARG A 70 14.831 5.947 -2.634 1.00 0.00 C ATOM 790 NH1 ARG A 70 15.389 5.951 -1.443 1.00 0.00 N ATOM 791 NH2 ARG A 70 15.122 6.907 -3.498 1.00 0.00 N ATOM 0 H ARG A 70 13.195 0.418 -1.235 1.00 0.00 H new ATOM 0 HA ARG A 70 11.884 2.677 0.091 1.00 0.00 H new ATOM 0 HB2 ARG A 70 12.029 1.512 -2.649 1.00 0.00 H new ATOM 0 HB3 ARG A 70 10.485 2.189 -2.171 1.00 0.00 H new ATOM 0 HG2 ARG A 70 11.843 3.790 -3.431 1.00 0.00 H new ATOM 0 HG3 ARG A 70 11.471 4.371 -1.820 1.00 0.00 H new ATOM 0 HD2 ARG A 70 13.676 4.141 -1.078 1.00 0.00 H new ATOM 0 HD3 ARG A 70 14.083 2.964 -2.310 1.00 0.00 H new ATOM 0 HE ARG A 70 13.684 4.951 -3.962 1.00 0.00 H new ATOM 0 HH11 ARG A 70 15.194 5.196 -0.786 1.00 0.00 H new ATOM 0 HH12 ARG A 70 16.017 6.709 -1.177 1.00 0.00 H new ATOM 0 HH21 ARG A 70 14.717 6.891 -4.434 1.00 0.00 H new ATOM 0 HH22 ARG A 70 15.751 7.663 -3.228 1.00 0.00 H new ATOM 805 N PRO A 71 9.589 1.481 0.400 1.00 0.00 N ATOM 806 CA PRO A 71 8.434 0.704 0.778 1.00 0.00 C ATOM 807 C PRO A 71 7.545 0.408 -0.439 1.00 0.00 C ATOM 808 O PRO A 71 7.291 1.289 -1.274 1.00 0.00 O ATOM 809 CB PRO A 71 7.726 1.610 1.782 1.00 0.00 C ATOM 810 CG PRO A 71 8.057 2.997 1.340 1.00 0.00 C ATOM 811 CD PRO A 71 9.403 2.916 0.651 1.00 0.00 C ATOM 0 HA PRO A 71 8.686 -0.273 1.191 1.00 0.00 H new ATOM 0 HB2 PRO A 71 6.649 1.440 1.779 1.00 0.00 H new ATOM 0 HB3 PRO A 71 8.075 1.424 2.798 1.00 0.00 H new ATOM 0 HG2 PRO A 71 7.295 3.380 0.661 1.00 0.00 H new ATOM 0 HG3 PRO A 71 8.097 3.677 2.191 1.00 0.00 H new ATOM 0 HD2 PRO A 71 9.411 3.488 -0.277 1.00 0.00 H new ATOM 0 HD3 PRO A 71 10.198 3.317 1.280 1.00 0.00 H new ATOM 819 N TYR A 72 7.109 -0.809 -0.547 1.00 0.00 N ATOM 820 CA TYR A 72 6.269 -1.226 -1.630 1.00 0.00 C ATOM 821 C TYR A 72 5.098 -1.948 -1.001 1.00 0.00 C ATOM 822 O TYR A 72 5.288 -2.778 -0.123 1.00 0.00 O ATOM 823 CB TYR A 72 7.055 -2.162 -2.555 1.00 0.00 C ATOM 824 CG TYR A 72 6.496 -2.274 -3.952 1.00 0.00 C ATOM 825 CD1 TYR A 72 5.418 -3.094 -4.249 1.00 0.00 C ATOM 826 CD2 TYR A 72 7.062 -1.548 -4.981 1.00 0.00 C ATOM 827 CE1 TYR A 72 4.922 -3.179 -5.539 1.00 0.00 C ATOM 828 CE2 TYR A 72 6.579 -1.630 -6.260 1.00 0.00 C ATOM 829 CZ TYR A 72 5.510 -2.442 -6.541 1.00 0.00 C ATOM 830 OH TYR A 72 5.028 -2.508 -7.841 1.00 0.00 O ATOM 0 H TYR A 72 7.328 -1.549 0.120 1.00 0.00 H new ATOM 0 HA TYR A 72 5.926 -0.384 -2.231 1.00 0.00 H new ATOM 0 HB2 TYR A 72 8.085 -1.811 -2.616 1.00 0.00 H new ATOM 0 HB3 TYR A 72 7.083 -3.156 -2.107 1.00 0.00 H new ATOM 0 HD1 TYR A 72 4.959 -3.675 -3.463 1.00 0.00 H new ATOM 0 HD2 TYR A 72 7.903 -0.902 -4.773 1.00 0.00 H new ATOM 0 HE1 TYR A 72 4.080 -3.819 -5.757 1.00 0.00 H new ATOM 0 HE2 TYR A 72 7.041 -1.054 -7.049 1.00 0.00 H new ATOM 0 HH TYR A 72 5.561 -1.922 -8.418 1.00 0.00 H new ATOM 840 N TRP A 73 3.916 -1.633 -1.397 1.00 0.00 N ATOM 841 CA TRP A 73 2.769 -2.178 -0.746 1.00 0.00 C ATOM 842 C TRP A 73 1.926 -2.998 -1.689 1.00 0.00 C ATOM 843 O TRP A 73 1.672 -2.597 -2.819 1.00 0.00 O ATOM 844 CB TRP A 73 1.966 -1.047 -0.116 1.00 0.00 C ATOM 845 CG TRP A 73 2.706 -0.327 0.987 1.00 0.00 C ATOM 846 CD1 TRP A 73 3.614 0.686 0.858 1.00 0.00 C ATOM 847 CD2 TRP A 73 2.575 -0.565 2.380 1.00 0.00 C ATOM 848 NE1 TRP A 73 4.047 1.087 2.096 1.00 0.00 N ATOM 849 CE2 TRP A 73 3.420 0.337 3.048 1.00 0.00 C ATOM 850 CE3 TRP A 73 1.818 -1.453 3.122 1.00 0.00 C ATOM 851 CZ2 TRP A 73 3.520 0.372 4.436 1.00 0.00 C ATOM 852 CZ3 TRP A 73 1.905 -1.419 4.493 1.00 0.00 C ATOM 853 CH2 TRP A 73 2.750 -0.511 5.143 1.00 0.00 C ATOM 0 H TRP A 73 3.713 -0.999 -2.170 1.00 0.00 H new ATOM 0 HA TRP A 73 3.101 -2.859 0.038 1.00 0.00 H new ATOM 0 HB2 TRP A 73 1.695 -0.329 -0.890 1.00 0.00 H new ATOM 0 HB3 TRP A 73 1.036 -1.451 0.284 1.00 0.00 H new ATOM 0 HD1 TRP A 73 3.942 1.108 -0.080 1.00 0.00 H new ATOM 0 HE1 TRP A 73 4.727 1.826 2.276 1.00 0.00 H new ATOM 0 HE3 TRP A 73 1.168 -2.163 2.631 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 4.179 1.068 4.935 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 1.311 -2.105 5.079 1.00 0.00 H new ATOM 0 HH2 TRP A 73 2.795 -0.508 6.222 1.00 0.00 H new ATOM 864 N TYR A 74 1.531 -4.144 -1.233 1.00 0.00 N ATOM 865 CA TYR A 74 0.694 -5.042 -1.981 1.00 0.00 C ATOM 866 C TYR A 74 -0.647 -5.190 -1.309 1.00 0.00 C ATOM 867 O TYR A 74 -0.725 -5.291 -0.089 1.00 0.00 O ATOM 868 CB TYR A 74 1.358 -6.406 -2.154 1.00 0.00 C ATOM 869 CG TYR A 74 2.332 -6.478 -3.311 1.00 0.00 C ATOM 870 CD1 TYR A 74 3.696 -6.371 -3.122 1.00 0.00 C ATOM 871 CD2 TYR A 74 1.870 -6.664 -4.602 1.00 0.00 C ATOM 872 CE1 TYR A 74 4.572 -6.447 -4.190 1.00 0.00 C ATOM 873 CE2 TYR A 74 2.730 -6.740 -5.669 1.00 0.00 C ATOM 874 CZ TYR A 74 4.080 -6.631 -5.464 1.00 0.00 C ATOM 875 OH TYR A 74 4.943 -6.703 -6.540 1.00 0.00 O ATOM 0 H TYR A 74 1.785 -4.494 -0.309 1.00 0.00 H new ATOM 0 HA TYR A 74 0.546 -4.615 -2.973 1.00 0.00 H new ATOM 0 HB2 TYR A 74 1.884 -6.661 -1.234 1.00 0.00 H new ATOM 0 HB3 TYR A 74 0.584 -7.159 -2.298 1.00 0.00 H new ATOM 0 HD1 TYR A 74 4.085 -6.226 -2.125 1.00 0.00 H new ATOM 0 HD2 TYR A 74 0.807 -6.751 -4.774 1.00 0.00 H new ATOM 0 HE1 TYR A 74 5.636 -6.363 -4.026 1.00 0.00 H new ATOM 0 HE2 TYR A 74 2.344 -6.885 -6.667 1.00 0.00 H new ATOM 0 HH TYR A 74 4.429 -6.836 -7.364 1.00 0.00 H new ATOM 885 N LEU A 75 -1.685 -5.248 -2.098 1.00 0.00 N ATOM 886 CA LEU A 75 -3.038 -5.306 -1.588 1.00 0.00 C ATOM 887 C LEU A 75 -3.695 -6.513 -2.203 1.00 0.00 C ATOM 888 O LEU A 75 -3.437 -6.826 -3.376 1.00 0.00 O ATOM 889 CB LEU A 75 -3.810 -4.059 -2.060 1.00 0.00 C ATOM 890 CG LEU A 75 -3.080 -2.713 -1.941 1.00 0.00 C ATOM 891 CD1 LEU A 75 -3.921 -1.592 -2.503 1.00 0.00 C ATOM 892 CD2 LEU A 75 -2.705 -2.410 -0.510 1.00 0.00 C ATOM 0 H LEU A 75 -1.622 -5.257 -3.116 1.00 0.00 H new ATOM 0 HA LEU A 75 -3.035 -5.355 -0.499 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.088 -4.205 -3.104 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -4.737 -3.996 -1.490 1.00 0.00 H new ATOM 0 HG LEU A 75 -2.162 -2.791 -2.524 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.382 -0.649 -2.407 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.129 -1.786 -3.555 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -4.860 -1.531 -1.953 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.190 -1.450 -0.464 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.606 -2.368 0.101 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -2.047 -3.193 -0.133 1.00 0.00 H new ATOM 904 N PHE A 76 -4.511 -7.192 -1.428 1.00 0.00 N ATOM 905 CA PHE A 76 -5.162 -8.411 -1.861 1.00 0.00 C ATOM 906 C PHE A 76 -6.626 -8.358 -1.514 1.00 0.00 C ATOM 907 O PHE A 76 -7.008 -7.834 -0.449 1.00 0.00 O ATOM 908 CB PHE A 76 -4.526 -9.628 -1.178 1.00 0.00 C ATOM 909 CG PHE A 76 -3.062 -9.777 -1.445 1.00 0.00 C ATOM 910 CD1 PHE A 76 -2.611 -10.573 -2.477 1.00 0.00 C ATOM 911 CD2 PHE A 76 -2.131 -9.108 -0.665 1.00 0.00 C ATOM 912 CE1 PHE A 76 -1.272 -10.697 -2.725 1.00 0.00 C ATOM 913 CE2 PHE A 76 -0.790 -9.231 -0.914 1.00 0.00 C ATOM 914 CZ PHE A 76 -0.359 -10.024 -1.946 1.00 0.00 C ATOM 0 H PHE A 76 -4.744 -6.914 -0.475 1.00 0.00 H new ATOM 0 HA PHE A 76 -5.042 -8.503 -2.940 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -4.683 -9.552 -0.102 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -5.040 -10.529 -1.512 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -3.321 -11.103 -3.094 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -2.467 -8.482 0.149 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -0.930 -11.325 -3.535 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -0.074 -8.705 -0.299 1.00 0.00 H new ATOM 0 HZ PHE A 76 0.698 -10.120 -2.148 1.00 0.00 H new ATOM 924 N ASP A 77 -7.455 -8.895 -2.385 1.00 0.00 N ATOM 925 CA ASP A 77 -8.898 -8.875 -2.155 1.00 0.00 C ATOM 926 C ASP A 77 -9.313 -9.967 -1.229 1.00 0.00 C ATOM 927 O ASP A 77 -10.405 -9.924 -0.691 1.00 0.00 O ATOM 928 CB ASP A 77 -9.735 -8.929 -3.450 1.00 0.00 C ATOM 929 CG ASP A 77 -9.977 -10.320 -4.010 1.00 0.00 C ATOM 930 OD1 ASP A 77 -9.060 -10.907 -4.591 1.00 0.00 O ATOM 931 OD2 ASP A 77 -11.136 -10.816 -3.925 1.00 0.00 O ATOM 0 H ASP A 77 -7.166 -9.348 -3.252 1.00 0.00 H new ATOM 0 HA ASP A 77 -9.104 -7.910 -1.691 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -10.700 -8.459 -3.259 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -9.235 -8.331 -4.212 1.00 0.00 H new ATOM 936 N ASN A 78 -8.457 -10.923 -1.003 1.00 0.00 N ATOM 937 CA ASN A 78 -8.779 -11.958 -0.090 1.00 0.00 C ATOM 938 C ASN A 78 -7.732 -11.989 0.991 1.00 0.00 C ATOM 939 O ASN A 78 -6.699 -11.336 0.866 1.00 0.00 O ATOM 940 CB ASN A 78 -8.960 -13.311 -0.773 1.00 0.00 C ATOM 941 CG ASN A 78 -9.756 -14.226 0.116 1.00 0.00 C ATOM 942 OD1 ASN A 78 -9.218 -15.045 0.851 1.00 0.00 O ATOM 943 ND2 ASN A 78 -11.029 -14.019 0.129 1.00 0.00 N ATOM 0 H ASN A 78 -7.539 -10.999 -1.440 1.00 0.00 H new ATOM 0 HA ASN A 78 -9.749 -11.745 0.360 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -9.470 -13.182 -1.728 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -7.987 -13.753 -0.988 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -11.625 -14.546 0.767 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -11.440 -13.328 -0.499 1.00 0.00 H new ATOM 950 N VAL A 79 -8.005 -12.681 2.059 1.00 0.00 N ATOM 951 CA VAL A 79 -7.141 -12.713 3.206 1.00 0.00 C ATOM 952 C VAL A 79 -5.940 -13.597 2.953 1.00 0.00 C ATOM 953 O VAL A 79 -5.900 -14.331 1.968 1.00 0.00 O ATOM 954 CB VAL A 79 -7.891 -13.216 4.456 1.00 0.00 C ATOM 955 CG1 VAL A 79 -9.048 -12.286 4.796 1.00 0.00 C ATOM 956 CG2 VAL A 79 -8.380 -14.640 4.238 1.00 0.00 C ATOM 0 H VAL A 79 -8.847 -13.248 2.160 1.00 0.00 H new ATOM 0 HA VAL A 79 -6.803 -11.692 3.384 1.00 0.00 H new ATOM 0 HB VAL A 79 -7.203 -13.217 5.301 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -9.565 -12.657 5.681 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -8.664 -11.285 4.993 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -9.744 -12.249 3.958 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -8.908 -14.984 5.128 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -9.055 -14.666 3.383 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -7.528 -15.292 4.047 1.00 0.00 H new ATOM 966 N ASN A 80 -4.965 -13.500 3.836 1.00 0.00 N ATOM 967 CA ASN A 80 -3.735 -14.298 3.795 1.00 0.00 C ATOM 968 C ASN A 80 -2.985 -14.155 2.486 1.00 0.00 C ATOM 969 O ASN A 80 -2.230 -15.044 2.092 1.00 0.00 O ATOM 970 CB ASN A 80 -4.022 -15.773 4.121 1.00 0.00 C ATOM 971 CG ASN A 80 -4.302 -15.989 5.595 1.00 0.00 C ATOM 972 OD1 ASN A 80 -3.389 -16.190 6.377 1.00 0.00 O ATOM 973 ND2 ASN A 80 -5.553 -15.994 5.981 1.00 0.00 N ATOM 0 H ASN A 80 -4.998 -12.852 4.623 1.00 0.00 H new ATOM 0 HA ASN A 80 -3.078 -13.900 4.568 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -4.877 -16.113 3.537 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -3.169 -16.382 3.822 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -5.784 -16.169 6.959 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -6.296 -15.823 5.304 1.00 0.00 H new ATOM 980 N TYR A 81 -3.124 -12.970 1.882 1.00 0.00 N ATOM 981 CA TYR A 81 -2.456 -12.583 0.641 1.00 0.00 C ATOM 982 C TYR A 81 -2.895 -13.472 -0.524 1.00 0.00 C ATOM 983 O TYR A 81 -2.093 -13.809 -1.409 1.00 0.00 O ATOM 984 CB TYR A 81 -0.915 -12.599 0.795 1.00 0.00 C ATOM 985 CG TYR A 81 -0.403 -11.916 2.051 1.00 0.00 C ATOM 986 CD1 TYR A 81 -0.983 -10.751 2.525 1.00 0.00 C ATOM 987 CD2 TYR A 81 0.657 -12.453 2.768 1.00 0.00 C ATOM 988 CE1 TYR A 81 -0.532 -10.152 3.672 1.00 0.00 C ATOM 989 CE2 TYR A 81 1.118 -11.849 3.912 1.00 0.00 C ATOM 990 CZ TYR A 81 0.516 -10.701 4.362 1.00 0.00 C ATOM 991 OH TYR A 81 0.964 -10.102 5.511 1.00 0.00 O ATOM 0 H TYR A 81 -3.723 -12.234 2.257 1.00 0.00 H new ATOM 0 HA TYR A 81 -2.756 -11.559 0.417 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -0.573 -13.634 0.794 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -0.470 -12.115 -0.074 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -1.804 -10.307 1.982 1.00 0.00 H new ATOM 0 HD2 TYR A 81 1.127 -13.361 2.421 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -1.002 -9.249 4.031 1.00 0.00 H new ATOM 0 HE2 TYR A 81 1.949 -12.275 4.454 1.00 0.00 H new ATOM 0 HH TYR A 81 0.219 -9.642 5.952 1.00 0.00 H new ATOM 1001 N THR A 82 -4.164 -13.800 -0.559 1.00 0.00 N ATOM 1002 CA THR A 82 -4.685 -14.608 -1.629 1.00 0.00 C ATOM 1003 C THR A 82 -5.627 -13.770 -2.489 1.00 0.00 C ATOM 1004 O THR A 82 -6.032 -12.662 -2.086 1.00 0.00 O ATOM 1005 CB THR A 82 -5.415 -15.886 -1.102 1.00 0.00 C ATOM 1006 OG1 THR A 82 -6.522 -15.538 -0.262 1.00 0.00 O ATOM 1007 CG2 THR A 82 -4.466 -16.764 -0.312 1.00 0.00 C ATOM 0 H THR A 82 -4.852 -13.520 0.140 1.00 0.00 H new ATOM 0 HA THR A 82 -3.844 -14.950 -2.232 1.00 0.00 H new ATOM 0 HB THR A 82 -5.778 -16.430 -1.974 1.00 0.00 H new ATOM 0 HG1 THR A 82 -6.189 -15.196 0.594 1.00 0.00 H new ATOM 0 HG21 THR A 82 -4.998 -17.646 0.044 1.00 0.00 H new ATOM 0 HG22 THR A 82 -3.638 -17.072 -0.951 1.00 0.00 H new ATOM 0 HG23 THR A 82 -4.078 -16.206 0.540 1.00 0.00 H new ATOM 1015 N GLY A 83 -5.944 -14.261 -3.661 1.00 0.00 N ATOM 1016 CA GLY A 83 -6.851 -13.563 -4.526 1.00 0.00 C ATOM 1017 C GLY A 83 -6.137 -12.668 -5.507 1.00 0.00 C ATOM 1018 O GLY A 83 -5.102 -13.050 -6.080 1.00 0.00 O ATOM 0 H GLY A 83 -5.586 -15.140 -4.034 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -7.456 -14.286 -5.072 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -7.535 -12.965 -3.924 1.00 0.00 H new ATOM 1022 N ARG A 84 -6.690 -11.506 -5.715 1.00 0.00 N ATOM 1023 CA ARG A 84 -6.144 -10.514 -6.624 1.00 0.00 C ATOM 1024 C ARG A 84 -5.048 -9.743 -5.939 1.00 0.00 C ATOM 1025 O ARG A 84 -5.123 -9.500 -4.741 1.00 0.00 O ATOM 1026 CB ARG A 84 -7.240 -9.563 -7.036 1.00 0.00 C ATOM 1027 CG ARG A 84 -8.349 -10.215 -7.811 1.00 0.00 C ATOM 1028 CD ARG A 84 -9.538 -9.298 -7.922 1.00 0.00 C ATOM 1029 NE ARG A 84 -10.621 -9.884 -8.704 1.00 0.00 N ATOM 1030 CZ ARG A 84 -11.878 -10.063 -8.279 1.00 0.00 C ATOM 1031 NH1 ARG A 84 -12.177 -9.950 -6.978 1.00 0.00 N ATOM 1032 NH2 ARG A 84 -12.813 -10.426 -9.141 1.00 0.00 N ATOM 0 H ARG A 84 -7.549 -11.208 -5.253 1.00 0.00 H new ATOM 0 HA ARG A 84 -5.737 -11.014 -7.503 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -7.658 -9.097 -6.144 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -6.808 -8.765 -7.640 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -7.995 -10.480 -8.807 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -8.644 -11.142 -7.320 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -9.903 -9.058 -6.923 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -9.228 -8.360 -8.382 1.00 0.00 H new ATOM 0 HE ARG A 84 -10.402 -10.182 -9.655 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -11.445 -9.726 -6.304 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -13.137 -10.088 -6.661 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -12.574 -10.568 -10.123 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -13.773 -10.564 -8.824 1.00 0.00 H new ATOM 1046 N ILE A 85 -4.058 -9.332 -6.691 1.00 0.00 N ATOM 1047 CA ILE A 85 -2.922 -8.656 -6.117 1.00 0.00 C ATOM 1048 C ILE A 85 -2.724 -7.275 -6.766 1.00 0.00 C ATOM 1049 O ILE A 85 -2.883 -7.110 -7.986 1.00 0.00 O ATOM 1050 CB ILE A 85 -1.637 -9.540 -6.262 1.00 0.00 C ATOM 1051 CG1 ILE A 85 -0.462 -8.937 -5.514 1.00 0.00 C ATOM 1052 CG2 ILE A 85 -1.264 -9.715 -7.724 1.00 0.00 C ATOM 1053 CD1 ILE A 85 0.764 -9.830 -5.491 1.00 0.00 C ATOM 0 H ILE A 85 -4.016 -9.454 -7.703 1.00 0.00 H new ATOM 0 HA ILE A 85 -3.109 -8.498 -5.055 1.00 0.00 H new ATOM 0 HB ILE A 85 -1.866 -10.513 -5.828 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -0.199 -7.984 -5.974 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -0.765 -8.723 -4.489 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -0.369 -10.332 -7.800 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -2.085 -10.199 -8.253 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -1.071 -8.739 -8.169 1.00 0.00 H new ATOM 0 HD11 ILE A 85 1.564 -9.336 -4.940 1.00 0.00 H new ATOM 0 HD12 ILE A 85 0.518 -10.774 -5.004 1.00 0.00 H new ATOM 0 HD13 ILE A 85 1.093 -10.023 -6.512 1.00 0.00 H new ATOM 1065 N THR A 86 -2.452 -6.291 -5.956 1.00 0.00 N ATOM 1066 CA THR A 86 -2.179 -4.948 -6.432 1.00 0.00 C ATOM 1067 C THR A 86 -0.917 -4.409 -5.768 1.00 0.00 C ATOM 1068 O THR A 86 -0.851 -4.359 -4.553 1.00 0.00 O ATOM 1069 CB THR A 86 -3.386 -4.019 -6.165 1.00 0.00 C ATOM 1070 OG1 THR A 86 -4.532 -4.550 -6.840 1.00 0.00 O ATOM 1071 CG2 THR A 86 -3.127 -2.608 -6.659 1.00 0.00 C ATOM 0 H THR A 86 -2.411 -6.390 -4.942 1.00 0.00 H new ATOM 0 HA THR A 86 -2.017 -4.981 -7.509 1.00 0.00 H new ATOM 0 HB THR A 86 -3.554 -3.973 -5.089 1.00 0.00 H new ATOM 0 HG1 THR A 86 -5.135 -4.963 -6.186 1.00 0.00 H new ATOM 0 HG21 THR A 86 -3.998 -1.985 -6.454 1.00 0.00 H new ATOM 0 HG22 THR A 86 -2.257 -2.197 -6.146 1.00 0.00 H new ATOM 0 HG23 THR A 86 -2.940 -2.627 -7.733 1.00 0.00 H new ATOM 1079 N GLY A 87 0.075 -4.053 -6.551 1.00 0.00 N ATOM 1080 CA GLY A 87 1.306 -3.541 -5.994 1.00 0.00 C ATOM 1081 C GLY A 87 1.511 -2.061 -6.244 1.00 0.00 C ATOM 1082 O GLY A 87 1.559 -1.618 -7.384 1.00 0.00 O ATOM 0 H GLY A 87 0.055 -4.108 -7.569 1.00 0.00 H new ATOM 0 HA2 GLY A 87 1.314 -3.725 -4.920 1.00 0.00 H new ATOM 0 HA3 GLY A 87 2.145 -4.093 -6.418 1.00 0.00 H new ATOM 1086 N LEU A 88 1.639 -1.306 -5.190 1.00 0.00 N ATOM 1087 CA LEU A 88 1.868 0.123 -5.281 1.00 0.00 C ATOM 1088 C LEU A 88 3.268 0.466 -4.845 1.00 0.00 C ATOM 1089 O LEU A 88 3.820 -0.164 -3.930 1.00 0.00 O ATOM 1090 CB LEU A 88 0.832 0.910 -4.451 1.00 0.00 C ATOM 1091 CG LEU A 88 -0.384 1.457 -5.208 1.00 0.00 C ATOM 1092 CD1 LEU A 88 0.028 2.597 -6.124 1.00 0.00 C ATOM 1093 CD2 LEU A 88 -1.054 0.359 -6.009 1.00 0.00 C ATOM 0 H LEU A 88 1.588 -1.659 -4.234 1.00 0.00 H new ATOM 0 HA LEU A 88 1.750 0.414 -6.325 1.00 0.00 H new ATOM 0 HB2 LEU A 88 0.472 0.261 -3.652 1.00 0.00 H new ATOM 0 HB3 LEU A 88 1.342 1.748 -3.976 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.097 1.837 -4.477 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.848 2.973 -6.653 1.00 0.00 H new ATOM 0 HD12 LEU A 88 0.466 3.400 -5.531 1.00 0.00 H new ATOM 0 HD13 LEU A 88 0.761 2.237 -6.846 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -1.914 0.768 -6.539 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -0.345 -0.050 -6.729 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -1.385 -0.432 -5.336 1.00 0.00 H new ATOM 1105 N GLY A 89 3.831 1.456 -5.486 1.00 0.00 N ATOM 1106 CA GLY A 89 5.154 1.867 -5.174 1.00 0.00 C ATOM 1107 C GLY A 89 5.202 3.284 -4.671 1.00 0.00 C ATOM 1108 O GLY A 89 4.195 4.012 -4.727 1.00 0.00 O ATOM 0 H GLY A 89 3.382 1.989 -6.231 1.00 0.00 H new ATOM 0 HA2 GLY A 89 5.572 1.201 -4.420 1.00 0.00 H new ATOM 0 HA3 GLY A 89 5.780 1.776 -6.062 1.00 0.00 H new ATOM 1112 N HIS A 90 6.361 3.674 -4.195 1.00 0.00 N ATOM 1113 CA HIS A 90 6.586 4.986 -3.611 1.00 0.00 C ATOM 1114 C HIS A 90 6.326 6.120 -4.606 1.00 0.00 C ATOM 1115 O HIS A 90 6.896 6.165 -5.708 1.00 0.00 O ATOM 1116 CB HIS A 90 8.009 5.094 -3.000 1.00 0.00 C ATOM 1117 CG HIS A 90 9.144 4.959 -3.986 1.00 0.00 C ATOM 1118 ND1 HIS A 90 10.031 5.968 -4.290 1.00 0.00 N ATOM 1119 CD2 HIS A 90 9.532 3.894 -4.727 1.00 0.00 C ATOM 1120 CE1 HIS A 90 10.894 5.502 -5.182 1.00 0.00 C ATOM 1121 NE2 HIS A 90 10.640 4.244 -5.481 1.00 0.00 N ATOM 0 H HIS A 90 7.192 3.082 -4.200 1.00 0.00 H new ATOM 0 HA HIS A 90 5.861 5.099 -2.805 1.00 0.00 H new ATOM 0 HB2 HIS A 90 8.099 6.057 -2.497 1.00 0.00 H new ATOM 0 HB3 HIS A 90 8.119 4.324 -2.237 1.00 0.00 H new ATOM 0 HD2 HIS A 90 9.054 2.926 -4.730 1.00 0.00 H new ATOM 0 HE1 HIS A 90 11.701 6.079 -5.609 1.00 0.00 H new ATOM 0 HE2 HIS A 90 11.153 3.651 -6.133 1.00 0.00 H new ATOM 1129 N GLY A 91 5.438 6.999 -4.231 1.00 0.00 N ATOM 1130 CA GLY A 91 5.137 8.140 -5.037 1.00 0.00 C ATOM 1131 C GLY A 91 4.013 7.876 -5.979 1.00 0.00 C ATOM 1132 O GLY A 91 3.641 8.734 -6.764 1.00 0.00 O ATOM 0 H GLY A 91 4.907 6.942 -3.362 1.00 0.00 H new ATOM 0 HA2 GLY A 91 4.881 8.981 -4.393 1.00 0.00 H new ATOM 0 HA3 GLY A 91 6.023 8.429 -5.602 1.00 0.00 H new ATOM 1136 N THR A 92 3.461 6.698 -5.910 1.00 0.00 N ATOM 1137 CA THR A 92 2.411 6.345 -6.793 1.00 0.00 C ATOM 1138 C THR A 92 1.116 6.192 -6.000 1.00 0.00 C ATOM 1139 O THR A 92 1.132 5.759 -4.831 1.00 0.00 O ATOM 1140 CB THR A 92 2.755 5.021 -7.487 1.00 0.00 C ATOM 1141 OG1 THR A 92 4.141 5.061 -7.888 1.00 0.00 O ATOM 1142 CG2 THR A 92 1.889 4.828 -8.725 1.00 0.00 C ATOM 0 H THR A 92 3.729 5.971 -5.246 1.00 0.00 H new ATOM 0 HA THR A 92 2.284 7.123 -7.545 1.00 0.00 H new ATOM 0 HB THR A 92 2.574 4.196 -6.798 1.00 0.00 H new ATOM 0 HG1 THR A 92 4.377 4.220 -8.332 1.00 0.00 H new ATOM 0 HG21 THR A 92 2.146 3.884 -9.205 1.00 0.00 H new ATOM 0 HG22 THR A 92 0.838 4.814 -8.435 1.00 0.00 H new ATOM 0 HG23 THR A 92 2.062 5.648 -9.422 1.00 0.00 H new ATOM 1150 N CYS A 93 0.016 6.546 -6.609 1.00 0.00 N ATOM 1151 CA CYS A 93 -1.263 6.411 -5.986 1.00 0.00 C ATOM 1152 C CYS A 93 -2.216 5.795 -6.992 1.00 0.00 C ATOM 1153 O CYS A 93 -1.955 5.805 -8.194 1.00 0.00 O ATOM 1154 CB CYS A 93 -1.857 7.768 -5.590 1.00 0.00 C ATOM 1155 SG CYS A 93 -0.732 9.029 -4.850 1.00 0.00 S ATOM 0 H CYS A 93 -0.013 6.936 -7.551 1.00 0.00 H new ATOM 0 HA CYS A 93 -1.135 5.801 -5.092 1.00 0.00 H new ATOM 0 HB2 CYS A 93 -2.309 8.206 -6.480 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -2.664 7.584 -4.880 1.00 0.00 H new ATOM 1160 N ILE A 94 -3.262 5.210 -6.505 1.00 0.00 N ATOM 1161 CA ILE A 94 -4.341 4.754 -7.332 1.00 0.00 C ATOM 1162 C ILE A 94 -5.351 5.861 -7.346 1.00 0.00 C ATOM 1163 O ILE A 94 -5.712 6.360 -6.278 1.00 0.00 O ATOM 1164 CB ILE A 94 -5.004 3.485 -6.768 1.00 0.00 C ATOM 1165 CG1 ILE A 94 -3.952 2.419 -6.558 1.00 0.00 C ATOM 1166 CG2 ILE A 94 -6.094 2.982 -7.719 1.00 0.00 C ATOM 1167 CD1 ILE A 94 -4.486 1.131 -5.967 1.00 0.00 C ATOM 0 H ILE A 94 -3.396 5.031 -5.510 1.00 0.00 H new ATOM 0 HA ILE A 94 -3.966 4.507 -8.325 1.00 0.00 H new ATOM 0 HB ILE A 94 -5.471 3.720 -5.812 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -3.478 2.198 -7.514 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -3.177 2.813 -5.901 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -6.552 2.084 -7.305 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -6.854 3.754 -7.842 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -5.653 2.750 -8.688 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -3.669 0.419 -5.848 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -4.934 1.335 -4.994 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -5.240 0.710 -6.632 1.00 0.00 H new ATOM 1179 N ASP A 95 -5.784 6.255 -8.507 1.00 0.00 N ATOM 1180 CA ASP A 95 -6.745 7.351 -8.619 1.00 0.00 C ATOM 1181 C ASP A 95 -8.098 6.920 -8.108 1.00 0.00 C ATOM 1182 O ASP A 95 -8.730 7.614 -7.309 1.00 0.00 O ATOM 1183 CB ASP A 95 -6.863 7.854 -10.062 1.00 0.00 C ATOM 1184 CG ASP A 95 -5.590 8.473 -10.577 1.00 0.00 C ATOM 1185 OD1 ASP A 95 -4.762 7.751 -11.173 1.00 0.00 O ATOM 1186 OD2 ASP A 95 -5.400 9.686 -10.400 1.00 0.00 O ATOM 0 H ASP A 95 -5.498 5.846 -9.396 1.00 0.00 H new ATOM 0 HA ASP A 95 -6.377 8.174 -8.006 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -7.143 7.023 -10.709 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -7.667 8.588 -10.120 1.00 0.00 H new ATOM 1191 N ASP A 96 -8.526 5.762 -8.538 1.00 0.00 N ATOM 1192 CA ASP A 96 -9.787 5.212 -8.133 1.00 0.00 C ATOM 1193 C ASP A 96 -9.628 3.744 -7.869 1.00 0.00 C ATOM 1194 O ASP A 96 -9.573 2.932 -8.806 1.00 0.00 O ATOM 1195 CB ASP A 96 -10.841 5.325 -9.207 1.00 0.00 C ATOM 1196 CG ASP A 96 -11.273 6.699 -9.648 1.00 0.00 C ATOM 1197 OD1 ASP A 96 -12.449 7.052 -9.425 1.00 0.00 O ATOM 1198 OD2 ASP A 96 -10.495 7.412 -10.302 1.00 0.00 O ATOM 0 H ASP A 96 -8.003 5.171 -9.184 1.00 0.00 H new ATOM 0 HA ASP A 96 -10.096 5.773 -7.251 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -10.477 4.794 -10.086 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -11.727 4.795 -8.859 1.00 0.00 H new ATOM 1203 N PHE A 97 -9.532 3.381 -6.633 1.00 0.00 N ATOM 1204 CA PHE A 97 -9.392 1.995 -6.273 1.00 0.00 C ATOM 1205 C PHE A 97 -10.645 1.203 -6.647 1.00 0.00 C ATOM 1206 O PHE A 97 -10.556 0.108 -7.155 1.00 0.00 O ATOM 1207 CB PHE A 97 -9.037 1.832 -4.801 1.00 0.00 C ATOM 1208 CG PHE A 97 -8.678 0.429 -4.455 1.00 0.00 C ATOM 1209 CD1 PHE A 97 -9.488 -0.339 -3.659 1.00 0.00 C ATOM 1210 CD2 PHE A 97 -7.523 -0.122 -4.955 1.00 0.00 C ATOM 1211 CE1 PHE A 97 -9.143 -1.638 -3.363 1.00 0.00 C ATOM 1212 CE2 PHE A 97 -7.169 -1.413 -4.669 1.00 0.00 C ATOM 1213 CZ PHE A 97 -7.978 -2.174 -3.872 1.00 0.00 C ATOM 0 H PHE A 97 -9.547 4.026 -5.843 1.00 0.00 H new ATOM 0 HA PHE A 97 -8.561 1.584 -6.846 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -8.202 2.488 -4.557 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -9.881 2.149 -4.189 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -10.402 0.078 -3.262 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -6.882 0.475 -5.586 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -9.784 -2.237 -2.733 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -6.256 -1.828 -5.071 1.00 0.00 H new ATOM 0 HZ PHE A 97 -7.706 -3.193 -3.641 1.00 0.00 H new ATOM 1223 N THR A 98 -11.796 1.817 -6.472 1.00 0.00 N ATOM 1224 CA THR A 98 -13.070 1.160 -6.737 1.00 0.00 C ATOM 1225 C THR A 98 -13.245 0.829 -8.233 1.00 0.00 C ATOM 1226 O THR A 98 -13.894 -0.156 -8.591 1.00 0.00 O ATOM 1227 CB THR A 98 -14.267 2.015 -6.208 1.00 0.00 C ATOM 1228 OG1 THR A 98 -15.525 1.405 -6.531 1.00 0.00 O ATOM 1229 CG2 THR A 98 -14.228 3.435 -6.759 1.00 0.00 C ATOM 0 H THR A 98 -11.881 2.779 -6.144 1.00 0.00 H new ATOM 0 HA THR A 98 -13.064 0.215 -6.194 1.00 0.00 H new ATOM 0 HB THR A 98 -14.167 2.062 -5.124 1.00 0.00 H new ATOM 0 HG1 THR A 98 -16.256 1.960 -6.187 1.00 0.00 H new ATOM 0 HG21 THR A 98 -15.075 4.000 -6.370 1.00 0.00 H new ATOM 0 HG22 THR A 98 -13.299 3.918 -6.455 1.00 0.00 H new ATOM 0 HG23 THR A 98 -14.282 3.405 -7.847 1.00 0.00 H new ATOM 1237 N LYS A 99 -12.611 1.619 -9.091 1.00 0.00 N ATOM 1238 CA LYS A 99 -12.740 1.451 -10.533 1.00 0.00 C ATOM 1239 C LYS A 99 -11.766 0.375 -11.017 1.00 0.00 C ATOM 1240 O LYS A 99 -11.764 -0.012 -12.193 1.00 0.00 O ATOM 1241 CB LYS A 99 -12.491 2.780 -11.249 1.00 0.00 C ATOM 1242 CG LYS A 99 -13.275 3.960 -10.658 1.00 0.00 C ATOM 1243 CD LYS A 99 -14.753 3.893 -10.857 1.00 0.00 C ATOM 1244 CE LYS A 99 -15.487 4.914 -9.969 1.00 0.00 C ATOM 1245 NZ LYS A 99 -14.977 6.308 -10.105 1.00 0.00 N ATOM 0 H LYS A 99 -12.000 2.386 -8.811 1.00 0.00 H new ATOM 0 HA LYS A 99 -13.755 1.130 -10.767 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -11.426 3.008 -11.211 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -12.756 2.670 -12.301 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -13.069 4.016 -9.589 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -12.904 4.883 -11.103 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -14.989 4.083 -11.904 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -15.107 2.888 -10.627 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -16.548 4.900 -10.217 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -15.399 4.605 -8.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -15.704 6.977 -9.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -14.120 6.422 -9.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -14.751 6.499 -11.102 1.00 0.00 H new ATOM 1259 N SER A 100 -10.933 -0.095 -10.107 1.00 0.00 N ATOM 1260 CA SER A 100 -10.001 -1.161 -10.383 1.00 0.00 C ATOM 1261 C SER A 100 -10.755 -2.508 -10.242 1.00 0.00 C ATOM 1262 O SER A 100 -11.994 -2.508 -10.165 1.00 0.00 O ATOM 1263 CB SER A 100 -8.824 -1.057 -9.404 1.00 0.00 C ATOM 1264 OG SER A 100 -8.255 0.266 -9.443 1.00 0.00 O ATOM 0 H SER A 100 -10.887 0.258 -9.151 1.00 0.00 H new ATOM 0 HA SER A 100 -9.600 -1.093 -11.394 1.00 0.00 H new ATOM 0 HB2 SER A 100 -9.162 -1.285 -8.393 1.00 0.00 H new ATOM 0 HB3 SER A 100 -8.063 -1.795 -9.660 1.00 0.00 H new ATOM 0 HG SER A 100 -8.879 0.902 -9.035 1.00 0.00 H new ATOM 1270 N GLY A 101 -10.045 -3.621 -10.232 1.00 0.00 N ATOM 1271 CA GLY A 101 -10.694 -4.923 -10.135 1.00 0.00 C ATOM 1272 C GLY A 101 -11.509 -5.092 -8.859 1.00 0.00 C ATOM 1273 O GLY A 101 -12.727 -5.312 -8.906 1.00 0.00 O ATOM 0 H GLY A 101 -9.027 -3.654 -10.289 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -11.347 -5.062 -10.997 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -9.936 -5.704 -10.181 1.00 0.00 H new ATOM 1277 N PHE A 102 -10.845 -5.009 -7.740 1.00 0.00 N ATOM 1278 CA PHE A 102 -11.482 -5.148 -6.449 1.00 0.00 C ATOM 1279 C PHE A 102 -11.482 -3.828 -5.708 1.00 0.00 C ATOM 1280 O PHE A 102 -10.587 -3.015 -5.919 1.00 0.00 O ATOM 1281 CB PHE A 102 -10.814 -6.255 -5.620 1.00 0.00 C ATOM 1282 CG PHE A 102 -9.344 -6.060 -5.303 1.00 0.00 C ATOM 1283 CD1 PHE A 102 -8.380 -6.302 -6.257 1.00 0.00 C ATOM 1284 CD2 PHE A 102 -8.937 -5.682 -4.036 1.00 0.00 C ATOM 1285 CE1 PHE A 102 -7.043 -6.170 -5.962 1.00 0.00 C ATOM 1286 CE2 PHE A 102 -7.599 -5.546 -3.737 1.00 0.00 C ATOM 1287 CZ PHE A 102 -6.652 -5.792 -4.699 1.00 0.00 C ATOM 0 H PHE A 102 -9.840 -4.842 -7.692 1.00 0.00 H new ATOM 0 HA PHE A 102 -12.519 -5.441 -6.611 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -11.357 -6.354 -4.680 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -10.927 -7.198 -6.154 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -8.678 -6.600 -7.251 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -9.677 -5.491 -3.272 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -6.301 -6.363 -6.722 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -7.295 -5.246 -2.745 1.00 0.00 H new ATOM 0 HZ PHE A 102 -5.603 -5.689 -4.465 1.00 0.00 H new ATOM 1297 N LYS A 103 -12.486 -3.597 -4.874 1.00 0.00 N ATOM 1298 CA LYS A 103 -12.517 -2.371 -4.083 1.00 0.00 C ATOM 1299 C LYS A 103 -12.314 -2.704 -2.597 1.00 0.00 C ATOM 1300 O LYS A 103 -12.176 -1.819 -1.768 1.00 0.00 O ATOM 1301 CB LYS A 103 -13.842 -1.556 -4.285 1.00 0.00 C ATOM 1302 CG LYS A 103 -15.026 -1.905 -3.351 1.00 0.00 C ATOM 1303 CD LYS A 103 -15.512 -3.330 -3.499 1.00 0.00 C ATOM 1304 CE LYS A 103 -16.524 -3.687 -2.421 1.00 0.00 C ATOM 1305 NZ LYS A 103 -17.756 -2.865 -2.495 1.00 0.00 N ATOM 0 H LYS A 103 -13.275 -4.226 -4.727 1.00 0.00 H new ATOM 0 HA LYS A 103 -11.702 -1.737 -4.433 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -13.612 -0.498 -4.161 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -14.171 -1.692 -5.315 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -14.724 -1.738 -2.317 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -15.853 -1.225 -3.556 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -15.964 -3.461 -4.482 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -14.664 -4.013 -3.444 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -16.789 -4.740 -2.513 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -16.065 -3.558 -1.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -18.430 -3.184 -1.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -17.517 -1.866 -2.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -18.185 -2.967 -3.437 1.00 0.00 H new ATOM 1319 N GLY A 104 -12.312 -3.988 -2.282 1.00 0.00 N ATOM 1320 CA GLY A 104 -12.196 -4.417 -0.915 1.00 0.00 C ATOM 1321 C GLY A 104 -10.919 -5.175 -0.658 1.00 0.00 C ATOM 1322 O GLY A 104 -10.663 -6.206 -1.286 1.00 0.00 O ATOM 0 H GLY A 104 -12.390 -4.745 -2.961 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -12.238 -3.547 -0.259 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -13.048 -5.048 -0.661 1.00 0.00 H new ATOM 1326 N ILE A 105 -10.130 -4.681 0.252 1.00 0.00 N ATOM 1327 CA ILE A 105 -8.879 -5.302 0.605 1.00 0.00 C ATOM 1328 C ILE A 105 -9.056 -6.070 1.872 1.00 0.00 C ATOM 1329 O ILE A 105 -9.429 -5.533 2.917 1.00 0.00 O ATOM 1330 CB ILE A 105 -7.778 -4.224 0.763 1.00 0.00 C ATOM 1331 CG1 ILE A 105 -7.649 -3.455 -0.534 1.00 0.00 C ATOM 1332 CG2 ILE A 105 -6.444 -4.853 1.128 1.00 0.00 C ATOM 1333 CD1 ILE A 105 -6.875 -2.178 -0.405 1.00 0.00 C ATOM 0 H ILE A 105 -10.335 -3.830 0.776 1.00 0.00 H new ATOM 0 HA ILE A 105 -8.570 -5.987 -0.185 1.00 0.00 H new ATOM 0 HB ILE A 105 -8.061 -3.548 1.570 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -7.164 -4.090 -1.275 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -8.646 -3.228 -0.912 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -5.690 -4.073 1.232 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -6.542 -5.392 2.071 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -6.142 -5.547 0.343 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -6.825 -1.683 -1.375 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -7.371 -1.523 0.312 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -5.866 -2.398 -0.058 1.00 0.00 H new ATOM 1345 N SER A 106 -8.888 -7.325 1.715 1.00 0.00 N ATOM 1346 CA SER A 106 -8.924 -8.286 2.741 1.00 0.00 C ATOM 1347 C SER A 106 -7.575 -8.488 3.470 1.00 0.00 C ATOM 1348 O SER A 106 -7.549 -8.894 4.633 1.00 0.00 O ATOM 1349 CB SER A 106 -9.506 -9.540 2.182 1.00 0.00 C ATOM 1350 OG SER A 106 -10.908 -9.613 2.337 1.00 0.00 O ATOM 0 H SER A 106 -8.709 -7.736 0.799 1.00 0.00 H new ATOM 0 HA SER A 106 -9.566 -7.921 3.542 1.00 0.00 H new ATOM 0 HB2 SER A 106 -9.259 -9.608 1.123 1.00 0.00 H new ATOM 0 HB3 SER A 106 -9.046 -10.398 2.673 1.00 0.00 H new ATOM 0 HG SER A 106 -11.327 -9.754 1.462 1.00 0.00 H new ATOM 1356 N SER A 107 -6.461 -8.258 2.776 1.00 0.00 N ATOM 1357 CA SER A 107 -5.147 -8.382 3.390 1.00 0.00 C ATOM 1358 C SER A 107 -4.138 -7.494 2.654 1.00 0.00 C ATOM 1359 O SER A 107 -4.338 -7.173 1.476 1.00 0.00 O ATOM 1360 CB SER A 107 -4.687 -9.855 3.429 1.00 0.00 C ATOM 1361 OG SER A 107 -4.585 -10.438 2.143 1.00 0.00 O ATOM 0 H SER A 107 -6.446 -7.986 1.793 1.00 0.00 H new ATOM 0 HA SER A 107 -5.210 -8.041 4.423 1.00 0.00 H new ATOM 0 HB2 SER A 107 -3.719 -9.914 3.926 1.00 0.00 H new ATOM 0 HB3 SER A 107 -5.390 -10.433 4.029 1.00 0.00 H new ATOM 0 HG SER A 107 -5.473 -10.476 1.730 1.00 0.00 H new ATOM 1367 N ILE A 108 -3.082 -7.091 3.340 1.00 0.00 N ATOM 1368 CA ILE A 108 -2.084 -6.185 2.786 1.00 0.00 C ATOM 1369 C ILE A 108 -0.712 -6.725 3.108 1.00 0.00 C ATOM 1370 O ILE A 108 -0.455 -7.087 4.250 1.00 0.00 O ATOM 1371 CB ILE A 108 -2.180 -4.759 3.412 1.00 0.00 C ATOM 1372 CG1 ILE A 108 -3.590 -4.203 3.296 1.00 0.00 C ATOM 1373 CG2 ILE A 108 -1.179 -3.809 2.765 1.00 0.00 C ATOM 1374 CD1 ILE A 108 -3.717 -2.822 3.856 1.00 0.00 C ATOM 0 H ILE A 108 -2.890 -7.382 4.299 1.00 0.00 H new ATOM 0 HA ILE A 108 -2.260 -6.114 1.713 1.00 0.00 H new ATOM 0 HB ILE A 108 -1.934 -4.847 4.470 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -3.887 -4.193 2.247 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -4.281 -4.866 3.817 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -1.267 -2.822 3.220 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -0.168 -4.188 2.915 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -1.385 -3.736 1.697 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -4.745 -2.478 3.745 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -3.449 -2.832 4.913 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -3.049 -2.149 3.319 1.00 0.00 H new ATOM 1386 N LYS A 109 0.157 -6.761 2.144 1.00 0.00 N ATOM 1387 CA LYS A 109 1.492 -7.250 2.361 1.00 0.00 C ATOM 1388 C LYS A 109 2.461 -6.115 2.106 1.00 0.00 C ATOM 1389 O LYS A 109 2.408 -5.478 1.052 1.00 0.00 O ATOM 1390 CB LYS A 109 1.816 -8.421 1.420 1.00 0.00 C ATOM 1391 CG LYS A 109 3.131 -9.124 1.747 1.00 0.00 C ATOM 1392 CD LYS A 109 3.598 -10.066 0.638 1.00 0.00 C ATOM 1393 CE LYS A 109 2.596 -11.145 0.287 1.00 0.00 C ATOM 1394 NZ LYS A 109 3.076 -11.988 -0.832 1.00 0.00 N ATOM 0 H LYS A 109 -0.033 -6.455 1.190 1.00 0.00 H new ATOM 0 HA LYS A 109 1.577 -7.611 3.386 1.00 0.00 H new ATOM 0 HB2 LYS A 109 1.005 -9.147 1.465 1.00 0.00 H new ATOM 0 HB3 LYS A 109 1.856 -8.052 0.395 1.00 0.00 H new ATOM 0 HG2 LYS A 109 3.902 -8.375 1.928 1.00 0.00 H new ATOM 0 HG3 LYS A 109 3.014 -9.690 2.671 1.00 0.00 H new ATOM 0 HD2 LYS A 109 3.814 -9.480 -0.255 1.00 0.00 H new ATOM 0 HD3 LYS A 109 4.532 -10.537 0.944 1.00 0.00 H new ATOM 0 HE2 LYS A 109 2.411 -11.769 1.161 1.00 0.00 H new ATOM 0 HE3 LYS A 109 1.645 -10.686 0.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 2.366 -12.717 -1.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 3.229 -11.395 -1.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 3.971 -12.445 -0.563 1.00 0.00 H new ATOM 1408 N ARG A 110 3.304 -5.840 3.056 1.00 0.00 N ATOM 1409 CA ARG A 110 4.276 -4.798 2.904 1.00 0.00 C ATOM 1410 C ARG A 110 5.584 -5.393 2.443 1.00 0.00 C ATOM 1411 O ARG A 110 6.125 -6.337 3.060 1.00 0.00 O ATOM 1412 CB ARG A 110 4.513 -4.050 4.211 1.00 0.00 C ATOM 1413 CG ARG A 110 5.443 -2.856 4.072 1.00 0.00 C ATOM 1414 CD ARG A 110 5.907 -2.358 5.424 1.00 0.00 C ATOM 1415 NE ARG A 110 6.820 -3.317 6.064 1.00 0.00 N ATOM 1416 CZ ARG A 110 7.151 -3.330 7.358 1.00 0.00 C ATOM 1417 NH1 ARG A 110 6.492 -2.578 8.237 1.00 0.00 N ATOM 1418 NH2 ARG A 110 8.113 -4.151 7.778 1.00 0.00 N ATOM 0 H ARG A 110 3.338 -6.327 3.952 1.00 0.00 H new ATOM 0 HA ARG A 110 3.891 -4.092 2.168 1.00 0.00 H new ATOM 0 HB2 ARG A 110 3.555 -3.709 4.603 1.00 0.00 H new ATOM 0 HB3 ARG A 110 4.930 -4.741 4.944 1.00 0.00 H new ATOM 0 HG2 ARG A 110 6.307 -3.134 3.469 1.00 0.00 H new ATOM 0 HG3 ARG A 110 4.930 -2.053 3.543 1.00 0.00 H new ATOM 0 HD2 ARG A 110 6.409 -1.398 5.307 1.00 0.00 H new ATOM 0 HD3 ARG A 110 5.044 -2.190 6.068 1.00 0.00 H new ATOM 0 HE ARG A 110 7.236 -4.033 5.469 1.00 0.00 H new ATOM 0 HH11 ARG A 110 5.725 -1.983 7.925 1.00 0.00 H new ATOM 0 HH12 ARG A 110 6.755 -2.597 9.222 1.00 0.00 H new ATOM 0 HH21 ARG A 110 8.589 -4.761 7.113 1.00 0.00 H new ATOM 0 HH22 ARG A 110 8.374 -4.169 8.764 1.00 0.00 H new ATOM 1432 N CYS A 111 6.086 -4.846 1.410 1.00 0.00 N ATOM 1433 CA CYS A 111 7.297 -5.258 0.837 1.00 0.00 C ATOM 1434 C CYS A 111 8.244 -4.085 0.814 1.00 0.00 C ATOM 1435 O CYS A 111 7.854 -2.942 1.097 1.00 0.00 O ATOM 1436 CB CYS A 111 7.025 -5.741 -0.575 1.00 0.00 C ATOM 1437 SG CYS A 111 5.769 -7.051 -0.687 1.00 0.00 S ATOM 0 H CYS A 111 5.645 -4.067 0.921 1.00 0.00 H new ATOM 0 HA CYS A 111 7.743 -6.068 1.414 1.00 0.00 H new ATOM 0 HB2 CYS A 111 6.705 -4.894 -1.181 1.00 0.00 H new ATOM 0 HB3 CYS A 111 7.956 -6.108 -1.007 1.00 0.00 H new ATOM 1442 N ILE A 112 9.460 -4.357 0.530 1.00 0.00 N ATOM 1443 CA ILE A 112 10.459 -3.355 0.402 1.00 0.00 C ATOM 1444 C ILE A 112 11.164 -3.543 -0.908 1.00 0.00 C ATOM 1445 O ILE A 112 11.355 -4.669 -1.358 1.00 0.00 O ATOM 1446 CB ILE A 112 11.487 -3.399 1.548 1.00 0.00 C ATOM 1447 CG1 ILE A 112 11.961 -4.833 1.779 1.00 0.00 C ATOM 1448 CG2 ILE A 112 10.901 -2.805 2.823 1.00 0.00 C ATOM 1449 CD1 ILE A 112 13.240 -4.924 2.551 1.00 0.00 C ATOM 0 H ILE A 112 9.803 -5.305 0.375 1.00 0.00 H new ATOM 0 HA ILE A 112 9.968 -2.383 0.447 1.00 0.00 H new ATOM 0 HB ILE A 112 12.349 -2.795 1.265 1.00 0.00 H new ATOM 0 HG12 ILE A 112 11.185 -5.382 2.312 1.00 0.00 H new ATOM 0 HG13 ILE A 112 12.093 -5.323 0.814 1.00 0.00 H new ATOM 0 HG21 ILE A 112 11.645 -2.847 3.619 1.00 0.00 H new ATOM 0 HG22 ILE A 112 10.618 -1.768 2.645 1.00 0.00 H new ATOM 0 HG23 ILE A 112 10.021 -3.375 3.119 1.00 0.00 H new ATOM 0 HD11 ILE A 112 13.515 -5.971 2.677 1.00 0.00 H new ATOM 0 HD12 ILE A 112 14.030 -4.404 2.009 1.00 0.00 H new ATOM 0 HD13 ILE A 112 13.108 -4.464 3.530 1.00 0.00 H new ATOM 1461 N GLN A 113 11.511 -2.475 -1.527 1.00 0.00 N ATOM 1462 CA GLN A 113 12.194 -2.530 -2.772 1.00 0.00 C ATOM 1463 C GLN A 113 13.590 -2.039 -2.542 1.00 0.00 C ATOM 1464 O GLN A 113 13.798 -0.898 -2.145 1.00 0.00 O ATOM 1465 CB GLN A 113 11.458 -1.717 -3.834 1.00 0.00 C ATOM 1466 CG GLN A 113 12.024 -1.892 -5.226 1.00 0.00 C ATOM 1467 CD GLN A 113 11.134 -1.317 -6.303 1.00 0.00 C ATOM 1468 OE1 GLN A 113 10.412 -0.320 -6.103 1.00 0.00 O ATOM 1469 NE2 GLN A 113 11.150 -1.946 -7.437 1.00 0.00 N ATOM 0 H GLN A 113 11.330 -1.531 -1.185 1.00 0.00 H new ATOM 0 HA GLN A 113 12.229 -3.551 -3.151 1.00 0.00 H new ATOM 0 HB2 GLN A 113 10.407 -2.006 -3.838 1.00 0.00 H new ATOM 0 HB3 GLN A 113 11.497 -0.662 -3.564 1.00 0.00 H new ATOM 0 HG2 GLN A 113 13.002 -1.414 -5.277 1.00 0.00 H new ATOM 0 HG3 GLN A 113 12.178 -2.954 -5.419 1.00 0.00 H new ATOM 0 HE21 GLN A 113 11.755 -2.758 -7.561 1.00 0.00 H new ATOM 0 HE22 GLN A 113 10.558 -1.629 -8.205 1.00 0.00 H new ATOM 1478 N THR A 114 14.519 -2.891 -2.785 1.00 0.00 N ATOM 1479 CA THR A 114 15.896 -2.670 -2.453 1.00 0.00 C ATOM 1480 C THR A 114 16.587 -1.731 -3.431 1.00 0.00 C ATOM 1481 O THR A 114 15.973 -1.238 -4.394 1.00 0.00 O ATOM 1482 CB THR A 114 16.628 -4.003 -2.497 1.00 0.00 C ATOM 1483 OG1 THR A 114 16.558 -4.513 -3.835 1.00 0.00 O ATOM 1484 CG2 THR A 114 15.989 -5.015 -1.572 1.00 0.00 C ATOM 0 H THR A 114 14.346 -3.791 -3.233 1.00 0.00 H new ATOM 0 HA THR A 114 15.924 -2.217 -1.462 1.00 0.00 H new ATOM 0 HB THR A 114 17.658 -3.842 -2.180 1.00 0.00 H new ATOM 0 HG1 THR A 114 17.087 -5.335 -3.900 1.00 0.00 H new ATOM 0 HG21 THR A 114 16.537 -5.956 -1.628 1.00 0.00 H new ATOM 0 HG22 THR A 114 16.015 -4.640 -0.549 1.00 0.00 H new ATOM 0 HG23 THR A 114 14.954 -5.179 -1.872 1.00 0.00 H new ATOM 1492 N LYS A 115 17.876 -1.508 -3.192 1.00 0.00 N ATOM 1493 CA LYS A 115 18.719 -0.740 -4.078 1.00 0.00 C ATOM 1494 C LYS A 115 18.811 -1.426 -5.429 1.00 0.00 C ATOM 1495 O LYS A 115 18.828 -0.778 -6.472 1.00 0.00 O ATOM 1496 CB LYS A 115 20.118 -0.652 -3.514 1.00 0.00 C ATOM 1497 CG LYS A 115 21.043 0.194 -4.368 1.00 0.00 C ATOM 1498 CD LYS A 115 22.479 0.043 -3.963 1.00 0.00 C ATOM 1499 CE LYS A 115 22.961 -1.385 -4.172 1.00 0.00 C ATOM 1500 NZ LYS A 115 24.395 -1.542 -3.868 1.00 0.00 N ATOM 0 H LYS A 115 18.361 -1.862 -2.368 1.00 0.00 H new ATOM 0 HA LYS A 115 18.286 0.255 -4.182 1.00 0.00 H new ATOM 0 HB2 LYS A 115 20.074 -0.233 -2.509 1.00 0.00 H new ATOM 0 HB3 LYS A 115 20.532 -1.656 -3.423 1.00 0.00 H new ATOM 0 HG2 LYS A 115 20.930 -0.089 -5.414 1.00 0.00 H new ATOM 0 HG3 LYS A 115 20.752 1.242 -4.288 1.00 0.00 H new ATOM 0 HD2 LYS A 115 23.098 0.727 -4.544 1.00 0.00 H new ATOM 0 HD3 LYS A 115 22.595 0.319 -2.915 1.00 0.00 H new ATOM 0 HE2 LYS A 115 22.382 -2.058 -3.539 1.00 0.00 H new ATOM 0 HE3 LYS A 115 22.776 -1.681 -5.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 24.677 -2.531 -4.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 24.952 -0.920 -4.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 24.570 -1.286 -2.875 1.00 0.00 H new ATOM 1514 N ASP A 116 18.841 -2.745 -5.407 1.00 0.00 N ATOM 1515 CA ASP A 116 18.994 -3.510 -6.634 1.00 0.00 C ATOM 1516 C ASP A 116 17.667 -3.588 -7.398 1.00 0.00 C ATOM 1517 O ASP A 116 17.612 -4.083 -8.534 1.00 0.00 O ATOM 1518 CB ASP A 116 19.565 -4.922 -6.369 1.00 0.00 C ATOM 1519 CG ASP A 116 18.607 -5.873 -5.760 1.00 0.00 C ATOM 1520 OD1 ASP A 116 18.582 -6.000 -4.517 1.00 0.00 O ATOM 1521 OD2 ASP A 116 17.884 -6.543 -6.498 1.00 0.00 O ATOM 0 H ASP A 116 18.762 -3.308 -4.560 1.00 0.00 H new ATOM 0 HA ASP A 116 19.718 -2.983 -7.256 1.00 0.00 H new ATOM 0 HB2 ASP A 116 19.920 -5.338 -7.312 1.00 0.00 H new ATOM 0 HB3 ASP A 116 20.432 -4.832 -5.714 1.00 0.00 H new ATOM 1526 N GLY A 117 16.611 -3.097 -6.769 1.00 0.00 N ATOM 1527 CA GLY A 117 15.330 -2.978 -7.417 1.00 0.00 C ATOM 1528 C GLY A 117 14.398 -4.112 -7.128 1.00 0.00 C ATOM 1529 O GLY A 117 13.233 -4.069 -7.540 1.00 0.00 O ATOM 0 H GLY A 117 16.625 -2.774 -5.802 1.00 0.00 H new ATOM 0 HA2 GLY A 117 14.860 -2.046 -7.104 1.00 0.00 H new ATOM 0 HA3 GLY A 117 15.483 -2.912 -8.494 1.00 0.00 H new ATOM 1533 N LYS A 118 14.866 -5.126 -6.430 1.00 0.00 N ATOM 1534 CA LYS A 118 14.000 -6.244 -6.131 1.00 0.00 C ATOM 1535 C LYS A 118 13.068 -5.906 -5.015 1.00 0.00 C ATOM 1536 O LYS A 118 13.406 -5.140 -4.104 1.00 0.00 O ATOM 1537 CB LYS A 118 14.743 -7.545 -5.814 1.00 0.00 C ATOM 1538 CG LYS A 118 15.698 -7.485 -4.643 1.00 0.00 C ATOM 1539 CD LYS A 118 16.153 -8.878 -4.200 1.00 0.00 C ATOM 1540 CE LYS A 118 16.805 -9.680 -5.327 1.00 0.00 C ATOM 1541 NZ LYS A 118 18.080 -9.087 -5.765 1.00 0.00 N ATOM 0 H LYS A 118 15.817 -5.199 -6.068 1.00 0.00 H new ATOM 0 HA LYS A 118 13.437 -6.428 -7.046 1.00 0.00 H new ATOM 0 HB2 LYS A 118 14.006 -8.324 -5.619 1.00 0.00 H new ATOM 0 HB3 LYS A 118 15.301 -7.848 -6.700 1.00 0.00 H new ATOM 0 HG2 LYS A 118 16.569 -6.889 -4.916 1.00 0.00 H new ATOM 0 HG3 LYS A 118 15.215 -6.979 -3.807 1.00 0.00 H new ATOM 0 HD2 LYS A 118 16.860 -8.778 -3.376 1.00 0.00 H new ATOM 0 HD3 LYS A 118 15.294 -9.430 -3.818 1.00 0.00 H new ATOM 0 HE2 LYS A 118 16.978 -10.702 -4.990 1.00 0.00 H new ATOM 0 HE3 LYS A 118 16.122 -9.735 -6.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 18.614 -9.785 -6.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 17.890 -8.249 -6.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 18.637 -8.808 -4.932 1.00 0.00 H new ATOM 1555 N VAL A 119 11.911 -6.454 -5.087 1.00 0.00 N ATOM 1556 CA VAL A 119 10.930 -6.231 -4.089 1.00 0.00 C ATOM 1557 C VAL A 119 10.876 -7.466 -3.206 1.00 0.00 C ATOM 1558 O VAL A 119 10.489 -8.544 -3.657 1.00 0.00 O ATOM 1559 CB VAL A 119 9.534 -5.951 -4.726 1.00 0.00 C ATOM 1560 CG1 VAL A 119 8.515 -5.581 -3.672 1.00 0.00 C ATOM 1561 CG2 VAL A 119 9.622 -4.842 -5.768 1.00 0.00 C ATOM 0 H VAL A 119 11.616 -7.072 -5.843 1.00 0.00 H new ATOM 0 HA VAL A 119 11.194 -5.353 -3.499 1.00 0.00 H new ATOM 0 HB VAL A 119 9.211 -6.870 -5.215 1.00 0.00 H new ATOM 0 HG11 VAL A 119 7.552 -5.392 -4.147 1.00 0.00 H new ATOM 0 HG12 VAL A 119 8.414 -6.400 -2.960 1.00 0.00 H new ATOM 0 HG13 VAL A 119 8.843 -4.684 -3.148 1.00 0.00 H new ATOM 0 HG21 VAL A 119 8.635 -4.666 -6.197 1.00 0.00 H new ATOM 0 HG22 VAL A 119 9.981 -3.927 -5.296 1.00 0.00 H new ATOM 0 HG23 VAL A 119 10.313 -5.138 -6.557 1.00 0.00 H new ATOM 1571 N GLU A 120 11.310 -7.313 -1.986 1.00 0.00 N ATOM 1572 CA GLU A 120 11.296 -8.377 -1.012 1.00 0.00 C ATOM 1573 C GLU A 120 10.062 -8.217 -0.168 1.00 0.00 C ATOM 1574 O GLU A 120 9.695 -7.099 0.165 1.00 0.00 O ATOM 1575 CB GLU A 120 12.531 -8.332 -0.109 1.00 0.00 C ATOM 1576 CG GLU A 120 13.862 -8.575 -0.801 1.00 0.00 C ATOM 1577 CD GLU A 120 14.987 -8.701 0.201 1.00 0.00 C ATOM 1578 OE1 GLU A 120 15.874 -7.828 0.261 1.00 0.00 O ATOM 1579 OE2 GLU A 120 14.990 -9.679 0.983 1.00 0.00 O ATOM 0 H GLU A 120 11.689 -6.435 -1.632 1.00 0.00 H new ATOM 0 HA GLU A 120 11.301 -9.334 -1.534 1.00 0.00 H new ATOM 0 HB2 GLU A 120 12.568 -7.357 0.377 1.00 0.00 H new ATOM 0 HB3 GLU A 120 12.410 -9.076 0.678 1.00 0.00 H new ATOM 0 HG2 GLU A 120 13.802 -9.484 -1.400 1.00 0.00 H new ATOM 0 HG3 GLU A 120 14.073 -7.754 -1.487 1.00 0.00 H new ATOM 1586 N CYS A 121 9.441 -9.295 0.199 1.00 0.00 N ATOM 1587 CA CYS A 121 8.200 -9.223 0.933 1.00 0.00 C ATOM 1588 C CYS A 121 8.239 -10.108 2.158 1.00 0.00 C ATOM 1589 O CYS A 121 9.209 -10.848 2.368 1.00 0.00 O ATOM 1590 CB CYS A 121 7.051 -9.656 0.037 1.00 0.00 C ATOM 1591 SG CYS A 121 6.791 -8.625 -1.434 1.00 0.00 S ATOM 0 H CYS A 121 9.768 -10.241 0.005 1.00 0.00 H new ATOM 0 HA CYS A 121 8.055 -8.192 1.255 1.00 0.00 H new ATOM 0 HB2 CYS A 121 7.228 -10.682 -0.284 1.00 0.00 H new ATOM 0 HB3 CYS A 121 6.133 -9.660 0.625 1.00 0.00 H new ATOM 1596 N ILE A 122 7.227 -9.988 2.990 1.00 0.00 N ATOM 1597 CA ILE A 122 7.085 -10.828 4.147 1.00 0.00 C ATOM 1598 C ILE A 122 5.943 -11.818 3.909 1.00 0.00 C ATOM 1599 O ILE A 122 4.811 -11.431 3.606 1.00 0.00 O ATOM 1600 CB ILE A 122 6.850 -10.001 5.464 1.00 0.00 C ATOM 1601 CG1 ILE A 122 6.649 -10.926 6.678 1.00 0.00 C ATOM 1602 CG2 ILE A 122 5.692 -9.018 5.334 1.00 0.00 C ATOM 1603 CD1 ILE A 122 7.877 -11.722 7.065 1.00 0.00 C ATOM 0 H ILE A 122 6.481 -9.302 2.878 1.00 0.00 H new ATOM 0 HA ILE A 122 8.019 -11.371 4.292 1.00 0.00 H new ATOM 0 HB ILE A 122 7.753 -9.413 5.627 1.00 0.00 H new ATOM 0 HG12 ILE A 122 6.337 -10.324 7.531 1.00 0.00 H new ATOM 0 HG13 ILE A 122 5.835 -11.618 6.462 1.00 0.00 H new ATOM 0 HG21 ILE A 122 5.571 -8.472 6.270 1.00 0.00 H new ATOM 0 HG22 ILE A 122 5.901 -8.315 4.528 1.00 0.00 H new ATOM 0 HG23 ILE A 122 4.775 -9.563 5.111 1.00 0.00 H new ATOM 0 HD11 ILE A 122 7.648 -12.347 7.928 1.00 0.00 H new ATOM 0 HD12 ILE A 122 8.179 -12.354 6.230 1.00 0.00 H new ATOM 0 HD13 ILE A 122 8.689 -11.039 7.316 1.00 0.00 H new ATOM 1615 N ASN A 123 6.251 -13.073 3.988 1.00 0.00 N ATOM 1616 CA ASN A 123 5.257 -14.104 3.821 1.00 0.00 C ATOM 1617 C ASN A 123 4.692 -14.455 5.173 1.00 0.00 C ATOM 1618 O ASN A 123 5.426 -14.911 6.058 1.00 0.00 O ATOM 1619 CB ASN A 123 5.872 -15.338 3.156 1.00 0.00 C ATOM 1620 CG ASN A 123 4.893 -16.491 3.003 1.00 0.00 C ATOM 1621 OD1 ASN A 123 4.164 -16.566 2.020 1.00 0.00 O ATOM 1622 ND2 ASN A 123 4.889 -17.410 3.945 1.00 0.00 N ATOM 0 H ASN A 123 7.193 -13.419 4.169 1.00 0.00 H new ATOM 0 HA ASN A 123 4.457 -13.742 3.175 1.00 0.00 H new ATOM 0 HB2 ASN A 123 6.252 -15.061 2.173 1.00 0.00 H new ATOM 0 HB3 ASN A 123 6.726 -15.672 3.745 1.00 0.00 H new ATOM 0 HD21 ASN A 123 4.267 -18.215 3.870 1.00 0.00 H new ATOM 0 HD22 ASN A 123 5.508 -17.318 4.750 1.00 0.00 H new ATOM 1629 N GLN A 124 3.428 -14.206 5.361 1.00 0.00 N ATOM 1630 CA GLN A 124 2.787 -14.484 6.617 1.00 0.00 C ATOM 1631 C GLN A 124 1.708 -15.528 6.425 1.00 0.00 C ATOM 1632 O GLN A 124 0.579 -15.179 6.020 1.00 0.00 O ATOM 1633 CB GLN A 124 2.228 -13.209 7.252 1.00 0.00 C ATOM 1634 CG GLN A 124 3.285 -12.151 7.528 1.00 0.00 C ATOM 1635 CD GLN A 124 2.743 -10.955 8.280 1.00 0.00 C ATOM 1636 OE1 GLN A 124 1.800 -11.068 9.068 1.00 0.00 O ATOM 1637 NE2 GLN A 124 3.330 -9.818 8.069 1.00 0.00 N ATOM 1638 OXT GLN A 124 1.992 -16.716 6.648 1.00 0.00 O ATOM 0 H GLN A 124 2.813 -13.806 4.652 1.00 0.00 H new ATOM 0 HA GLN A 124 3.532 -14.881 7.307 1.00 0.00 H new ATOM 0 HB2 GLN A 124 1.468 -12.788 6.593 1.00 0.00 H new ATOM 0 HB3 GLN A 124 1.731 -13.467 8.187 1.00 0.00 H new ATOM 0 HG2 GLN A 124 4.096 -12.597 8.103 1.00 0.00 H new ATOM 0 HG3 GLN A 124 3.711 -11.816 6.582 1.00 0.00 H new ATOM 0 HE21 GLN A 124 4.107 -9.760 7.411 1.00 0.00 H new ATOM 0 HE22 GLN A 124 3.015 -8.982 8.561 1.00 0.00 H new TER 1647 GLN A 124