USER MOD reduce.3.24.130724 H: found=0, std=0, add=913, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 914 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 81 TYR OH : rot 142:sc= 1.21 USER MOD Set 1.2: A 112 GLN : amide:sc= -3.05 X(o=-1.8,f=-1.4) USER MOD Set 2.1: A 88 TYR OH : rot 30:sc= 0 USER MOD Set 2.2: A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 38 THR OG1 : rot -63:sc= 0.991! USER MOD Set 3.2: A 41 SER OG : rot 53:sc= 1.41 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.105 USER MOD Single : A 11 LYS NZ :NH3+ 154:sc= -0.191 (180deg=-0.925) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.627 K(o=-0.63,f=0) USER MOD Single : A 21 GLN : amide:sc= -0.0765 X(o=-0.077,f=-0.37) USER MOD Single : A 27 GLN : amide:sc= -0.214 X(o=-0.21,f=-0.21) USER MOD Single : A 28 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 31 SER OG : rot -57:sc= 0.0983 USER MOD Single : A 36 THR OG1 : rot -58:sc= 0.256 USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 44 ASN : amide:sc= -6.92! C(o=-6.9!,f=-12!) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -144:sc= 0.178 (180deg=0) USER MOD Single : A 52 SER OG : rot 140:sc= -0.0503 USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.0246 USER MOD Single : A 56 ASN : amide:sc= -2.95! C(o=-3!,f=-14!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 75:sc= 0.955 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -147:sc= -0.0331 (180deg=-1.43!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot 150:sc= -1.97! USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 86:sc= 0.88 USER MOD Single : A 87 CYS SG : rot 88:sc= -0.358 USER MOD Single : A 89 LYS NZ :NH3+ 162:sc= 0.981 (180deg=0.766) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= -0.122 USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ -162:sc=-0.00347 (180deg=-0.204) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 77:sc= 0.41 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 SER OG : rot -42:sc= 0.066 USER MOD Single : A 119 MET CE :methyl 180:sc= -0.0747 (180deg=-0.0747) USER MOD Single : A 125 GLN : amide:sc= -0.0601 X(o=-0.06,f=-0.06) USER MOD ----------------------------------------------------------------- ATOM 128 N PRO A 8 8.221 6.150 -6.100 1.00 0.67 N ATOM 129 CA PRO A 8 7.818 5.406 -7.312 1.00 0.58 C ATOM 130 C PRO A 8 6.400 5.819 -7.735 1.00 0.52 C ATOM 131 O PRO A 8 5.676 6.449 -6.990 1.00 0.58 O ATOM 132 CB PRO A 8 7.865 3.913 -6.898 1.00 0.62 C ATOM 133 CG PRO A 8 8.196 3.861 -5.379 1.00 0.71 C ATOM 134 CD PRO A 8 8.535 5.297 -4.930 1.00 0.75 C ATOM 0 HA PRO A 8 8.468 5.606 -8.163 1.00 0.58 H new ATOM 0 HB2 PRO A 8 6.909 3.429 -7.099 1.00 0.62 H new ATOM 0 HB3 PRO A 8 8.621 3.379 -7.474 1.00 0.62 H new ATOM 0 HG2 PRO A 8 7.348 3.473 -4.815 1.00 0.71 H new ATOM 0 HG3 PRO A 8 9.036 3.192 -5.192 1.00 0.71 H new ATOM 0 HD2 PRO A 8 7.946 5.588 -4.060 1.00 0.75 H new ATOM 0 HD3 PRO A 8 9.584 5.385 -4.648 1.00 0.75 H new ATOM 142 N THR A 9 5.998 5.451 -8.922 1.00 0.48 N ATOM 143 CA THR A 9 4.625 5.801 -9.396 1.00 0.46 C ATOM 144 C THR A 9 3.652 4.715 -8.919 1.00 0.43 C ATOM 145 O THR A 9 4.041 3.597 -8.646 1.00 0.44 O ATOM 146 CB THR A 9 4.624 5.879 -10.944 1.00 0.47 C ATOM 147 OG1 THR A 9 5.787 5.235 -11.441 1.00 0.72 O ATOM 148 CG2 THR A 9 4.622 7.340 -11.407 1.00 0.73 C ATOM 0 H THR A 9 6.562 4.921 -9.587 1.00 0.48 H new ATOM 0 HA THR A 9 4.317 6.767 -8.995 1.00 0.46 H new ATOM 0 HB THR A 9 3.728 5.387 -11.323 1.00 0.47 H new ATOM 0 HG1 THR A 9 5.792 5.279 -12.420 1.00 0.72 H new ATOM 0 HG21 THR A 9 4.621 7.376 -12.496 1.00 0.73 H new ATOM 0 HG22 THR A 9 3.732 7.841 -11.027 1.00 0.73 H new ATOM 0 HG23 THR A 9 5.511 7.843 -11.028 1.00 0.73 H new ATOM 156 N LEU A 10 2.390 5.033 -8.828 1.00 0.41 N ATOM 157 CA LEU A 10 1.405 4.013 -8.380 1.00 0.40 C ATOM 158 C LEU A 10 1.289 2.933 -9.451 1.00 0.39 C ATOM 159 O LEU A 10 1.064 1.777 -9.152 1.00 0.39 O ATOM 160 CB LEU A 10 0.033 4.663 -8.165 1.00 0.41 C ATOM 161 CG LEU A 10 -1.032 3.583 -7.898 1.00 0.37 C ATOM 162 CD1 LEU A 10 -0.608 2.700 -6.718 1.00 0.41 C ATOM 163 CD2 LEU A 10 -2.357 4.259 -7.565 1.00 0.41 C ATOM 0 H LEU A 10 2.001 5.951 -9.044 1.00 0.41 H new ATOM 0 HA LEU A 10 1.741 3.575 -7.440 1.00 0.40 H new ATOM 0 HB2 LEU A 10 0.078 5.355 -7.324 1.00 0.41 H new ATOM 0 HB3 LEU A 10 -0.243 5.246 -9.043 1.00 0.41 H new ATOM 0 HG LEU A 10 -1.140 2.962 -8.787 1.00 0.37 H new ATOM 0 HD11 LEU A 10 -1.369 1.941 -6.540 1.00 0.41 H new ATOM 0 HD12 LEU A 10 0.341 2.215 -6.949 1.00 0.41 H new ATOM 0 HD13 LEU A 10 -0.493 3.315 -5.826 1.00 0.41 H new ATOM 0 HD21 LEU A 10 -3.115 3.499 -7.375 1.00 0.41 H new ATOM 0 HD22 LEU A 10 -2.236 4.881 -6.678 1.00 0.41 H new ATOM 0 HD23 LEU A 10 -2.669 4.881 -8.404 1.00 0.41 H new ATOM 175 N LYS A 11 1.452 3.276 -10.699 1.00 0.42 N ATOM 176 CA LYS A 11 1.355 2.246 -11.757 1.00 0.44 C ATOM 177 C LYS A 11 2.465 1.220 -11.534 1.00 0.43 C ATOM 178 O LYS A 11 2.337 0.063 -11.881 1.00 0.45 O ATOM 179 CB LYS A 11 1.518 2.937 -13.137 1.00 0.49 C ATOM 180 CG LYS A 11 0.454 2.442 -14.128 1.00 0.83 C ATOM 181 CD LYS A 11 0.710 0.974 -14.470 1.00 0.98 C ATOM 182 CE LYS A 11 -0.275 0.525 -15.550 1.00 1.64 C ATOM 183 NZ LYS A 11 -0.101 1.372 -16.764 1.00 2.31 N ATOM 0 H LYS A 11 1.647 4.222 -11.026 1.00 0.42 H new ATOM 0 HA LYS A 11 0.390 1.740 -11.727 1.00 0.44 H new ATOM 0 HB2 LYS A 11 1.436 4.017 -13.019 1.00 0.49 H new ATOM 0 HB3 LYS A 11 2.513 2.734 -13.534 1.00 0.49 H new ATOM 0 HG2 LYS A 11 -0.540 2.557 -13.696 1.00 0.83 H new ATOM 0 HG3 LYS A 11 0.479 3.046 -15.035 1.00 0.83 H new ATOM 0 HD2 LYS A 11 1.734 0.844 -14.820 1.00 0.98 H new ATOM 0 HD3 LYS A 11 0.596 0.356 -13.579 1.00 0.98 H new ATOM 0 HE2 LYS A 11 -0.107 -0.523 -15.798 1.00 1.64 H new ATOM 0 HE3 LYS A 11 -1.297 0.605 -15.181 1.00 1.64 H new ATOM 0 HZ1 LYS A 11 -0.407 0.841 -17.604 1.00 2.31 H new ATOM 0 HZ2 LYS A 11 -0.675 2.234 -16.671 1.00 2.31 H new ATOM 0 HZ3 LYS A 11 0.901 1.633 -16.865 1.00 2.31 H new ATOM 197 N ASP A 12 3.567 1.648 -10.980 1.00 0.43 N ATOM 198 CA ASP A 12 4.690 0.705 -10.765 1.00 0.45 C ATOM 199 C ASP A 12 4.214 -0.459 -9.892 1.00 0.44 C ATOM 200 O ASP A 12 4.752 -1.548 -9.932 1.00 0.46 O ATOM 201 CB ASP A 12 5.836 1.430 -10.059 1.00 0.48 C ATOM 202 CG ASP A 12 7.097 0.564 -10.109 1.00 1.16 C ATOM 203 OD1 ASP A 12 7.113 -0.463 -9.450 1.00 1.94 O ATOM 204 OD2 ASP A 12 8.024 0.942 -10.806 1.00 1.88 O ATOM 0 H ASP A 12 3.733 2.605 -10.670 1.00 0.43 H new ATOM 0 HA ASP A 12 5.036 0.325 -11.726 1.00 0.45 H new ATOM 0 HB2 ASP A 12 6.023 2.391 -10.539 1.00 0.48 H new ATOM 0 HB3 ASP A 12 5.566 1.638 -9.024 1.00 0.48 H new ATOM 209 N ALA A 13 3.213 -0.219 -9.074 1.00 0.43 N ATOM 210 CA ALA A 13 2.709 -1.289 -8.167 1.00 0.45 C ATOM 211 C ALA A 13 2.180 -2.468 -8.981 1.00 0.49 C ATOM 212 O ALA A 13 2.155 -3.590 -8.516 1.00 0.57 O ATOM 213 CB ALA A 13 1.582 -0.726 -7.299 1.00 0.44 C ATOM 0 H ALA A 13 2.727 0.675 -9.000 1.00 0.43 H new ATOM 0 HA ALA A 13 3.528 -1.634 -7.536 1.00 0.45 H new ATOM 0 HB1 ALA A 13 1.211 -1.506 -6.634 1.00 0.44 H new ATOM 0 HB2 ALA A 13 1.961 0.106 -6.706 1.00 0.44 H new ATOM 0 HB3 ALA A 13 0.771 -0.377 -7.938 1.00 0.44 H new ATOM 219 N TYR A 14 1.748 -2.230 -10.187 1.00 0.54 N ATOM 220 CA TYR A 14 1.213 -3.346 -11.018 1.00 0.60 C ATOM 221 C TYR A 14 2.356 -4.023 -11.776 1.00 0.67 C ATOM 222 O TYR A 14 2.174 -4.516 -12.872 1.00 1.15 O ATOM 223 CB TYR A 14 0.185 -2.789 -12.005 1.00 0.61 C ATOM 224 CG TYR A 14 -0.992 -2.247 -11.229 1.00 0.58 C ATOM 225 CD1 TYR A 14 -0.917 -0.977 -10.643 1.00 1.32 C ATOM 226 CD2 TYR A 14 -2.153 -3.017 -11.083 1.00 1.37 C ATOM 227 CE1 TYR A 14 -2.002 -0.477 -9.914 1.00 1.33 C ATOM 228 CE2 TYR A 14 -3.238 -2.516 -10.352 1.00 1.41 C ATOM 229 CZ TYR A 14 -3.162 -1.246 -9.767 1.00 0.70 C ATOM 230 OH TYR A 14 -4.229 -0.753 -9.045 1.00 0.82 O ATOM 0 H TYR A 14 1.742 -1.313 -10.634 1.00 0.54 H new ATOM 0 HA TYR A 14 0.734 -4.085 -10.375 1.00 0.60 H new ATOM 0 HB2 TYR A 14 0.632 -2.001 -12.611 1.00 0.61 H new ATOM 0 HB3 TYR A 14 -0.143 -3.571 -12.690 1.00 0.61 H new ATOM 0 HD1 TYR A 14 -0.022 -0.383 -10.754 1.00 1.32 H new ATOM 0 HD2 TYR A 14 -2.212 -3.997 -11.534 1.00 1.37 H new ATOM 0 HE1 TYR A 14 -1.944 0.503 -9.464 1.00 1.33 H new ATOM 0 HE2 TYR A 14 -4.133 -3.109 -10.240 1.00 1.41 H new ATOM 0 HH TYR A 14 -4.954 -1.412 -9.041 1.00 0.82 H new ATOM 240 N GLU A 15 3.542 -4.039 -11.205 1.00 0.57 N ATOM 241 CA GLU A 15 4.718 -4.673 -11.887 1.00 0.60 C ATOM 242 C GLU A 15 5.290 -5.823 -11.025 1.00 0.53 C ATOM 243 O GLU A 15 6.299 -5.640 -10.373 1.00 0.57 O ATOM 244 CB GLU A 15 5.805 -3.612 -12.077 1.00 0.68 C ATOM 245 CG GLU A 15 5.333 -2.577 -13.102 1.00 0.89 C ATOM 246 CD GLU A 15 6.433 -1.537 -13.325 1.00 1.59 C ATOM 247 OE1 GLU A 15 7.575 -1.838 -13.021 1.00 2.12 O ATOM 248 OE2 GLU A 15 6.114 -0.458 -13.797 1.00 2.32 O ATOM 0 H GLU A 15 3.745 -3.637 -10.290 1.00 0.57 H new ATOM 0 HA GLU A 15 4.398 -5.076 -12.848 1.00 0.60 H new ATOM 0 HB2 GLU A 15 6.023 -3.125 -11.127 1.00 0.68 H new ATOM 0 HB3 GLU A 15 6.730 -4.080 -12.415 1.00 0.68 H new ATOM 0 HG2 GLU A 15 5.087 -3.068 -14.043 1.00 0.89 H new ATOM 0 HG3 GLU A 15 4.424 -2.090 -12.750 1.00 0.89 H new ATOM 255 N PRO A 16 4.654 -6.985 -11.058 1.00 0.51 N ATOM 256 CA PRO A 16 5.133 -8.164 -10.292 1.00 0.48 C ATOM 257 C PRO A 16 6.545 -8.516 -10.743 1.00 0.51 C ATOM 258 O PRO A 16 6.713 -8.902 -11.885 1.00 0.76 O ATOM 259 CB PRO A 16 4.169 -9.310 -10.703 1.00 0.53 C ATOM 260 CG PRO A 16 3.048 -8.694 -11.582 1.00 0.64 C ATOM 261 CD PRO A 16 3.427 -7.224 -11.857 1.00 0.60 C ATOM 0 HA PRO A 16 5.149 -7.989 -9.216 1.00 0.48 H new ATOM 0 HB2 PRO A 16 4.706 -10.082 -11.254 1.00 0.53 H new ATOM 0 HB3 PRO A 16 3.744 -9.787 -9.820 1.00 0.53 H new ATOM 0 HG2 PRO A 16 2.948 -9.245 -12.517 1.00 0.64 H new ATOM 0 HG3 PRO A 16 2.086 -8.753 -11.073 1.00 0.64 H new ATOM 0 HD2 PRO A 16 3.609 -7.056 -12.918 1.00 0.60 H new ATOM 0 HD3 PRO A 16 2.625 -6.548 -11.560 1.00 0.60 H new ATOM 269 N LEU A 17 7.569 -8.414 -9.909 1.00 0.63 N ATOM 270 CA LEU A 17 8.938 -8.783 -10.422 1.00 0.74 C ATOM 271 C LEU A 17 9.147 -10.288 -10.211 1.00 0.79 C ATOM 272 O LEU A 17 8.201 -11.048 -10.176 1.00 1.03 O ATOM 273 CB LEU A 17 10.050 -7.922 -9.793 1.00 0.79 C ATOM 274 CG LEU A 17 9.488 -7.068 -8.649 1.00 1.26 C ATOM 275 CD1 LEU A 17 9.106 -7.953 -7.448 1.00 1.12 C ATOM 276 CD2 LEU A 17 10.567 -6.088 -8.222 1.00 2.28 C ATOM 0 H LEU A 17 7.520 -8.105 -8.938 1.00 0.63 H new ATOM 0 HA LEU A 17 8.998 -8.569 -11.489 1.00 0.74 H new ATOM 0 HB2 LEU A 17 10.847 -8.564 -9.417 1.00 0.79 H new ATOM 0 HB3 LEU A 17 10.492 -7.277 -10.553 1.00 0.79 H new ATOM 0 HG LEU A 17 8.595 -6.544 -8.989 1.00 1.26 H new ATOM 0 HD11 LEU A 17 8.710 -7.329 -6.647 1.00 1.12 H new ATOM 0 HD12 LEU A 17 8.349 -8.675 -7.754 1.00 1.12 H new ATOM 0 HD13 LEU A 17 9.989 -8.483 -7.091 1.00 1.12 H new ATOM 0 HD21 LEU A 17 10.193 -5.467 -7.408 1.00 2.28 H new ATOM 0 HD22 LEU A 17 11.445 -6.638 -7.885 1.00 2.28 H new ATOM 0 HD23 LEU A 17 10.838 -5.454 -9.067 1.00 2.28 H new ATOM 288 N TYR A 18 10.371 -10.731 -10.149 1.00 0.78 N ATOM 289 CA TYR A 18 10.640 -12.204 -10.035 1.00 0.88 C ATOM 290 C TYR A 18 10.931 -12.614 -8.576 1.00 0.76 C ATOM 291 O TYR A 18 11.460 -11.822 -7.820 1.00 0.63 O ATOM 292 CB TYR A 18 11.855 -12.525 -10.923 1.00 1.09 C ATOM 293 CG TYR A 18 11.847 -11.591 -12.112 1.00 0.78 C ATOM 294 CD1 TYR A 18 10.647 -11.339 -12.794 1.00 1.41 C ATOM 295 CD2 TYR A 18 13.027 -10.960 -12.516 1.00 1.46 C ATOM 296 CE1 TYR A 18 10.628 -10.462 -13.879 1.00 1.67 C ATOM 297 CE2 TYR A 18 13.011 -10.084 -13.605 1.00 1.64 C ATOM 298 CZ TYR A 18 11.810 -9.833 -14.289 1.00 1.40 C ATOM 299 OH TYR A 18 11.794 -8.965 -15.361 1.00 1.95 O ATOM 0 H TYR A 18 11.203 -10.141 -10.172 1.00 0.78 H new ATOM 0 HA TYR A 18 9.760 -12.762 -10.357 1.00 0.88 H new ATOM 0 HB2 TYR A 18 12.779 -12.407 -10.356 1.00 1.09 H new ATOM 0 HB3 TYR A 18 11.816 -13.562 -11.257 1.00 1.09 H new ATOM 0 HD1 TYR A 18 9.736 -11.825 -12.478 1.00 1.41 H new ATOM 0 HD2 TYR A 18 13.950 -11.149 -11.987 1.00 1.46 H new ATOM 0 HE1 TYR A 18 9.703 -10.269 -14.402 1.00 1.67 H new ATOM 0 HE2 TYR A 18 13.923 -9.600 -13.921 1.00 1.64 H new ATOM 0 HH TYR A 18 12.697 -8.615 -15.512 1.00 1.95 H new ATOM 309 N PRO A 19 10.602 -13.851 -8.217 1.00 0.88 N ATOM 310 CA PRO A 19 10.863 -14.350 -6.858 1.00 0.87 C ATOM 311 C PRO A 19 12.362 -14.266 -6.544 1.00 0.80 C ATOM 312 O PRO A 19 12.754 -14.280 -5.394 1.00 0.77 O ATOM 313 CB PRO A 19 10.382 -15.823 -6.861 1.00 1.11 C ATOM 314 CG PRO A 19 9.909 -16.153 -8.303 1.00 1.24 C ATOM 315 CD PRO A 19 9.948 -14.840 -9.112 1.00 1.09 C ATOM 0 HA PRO A 19 10.347 -13.763 -6.098 1.00 0.87 H new ATOM 0 HB2 PRO A 19 11.189 -16.491 -6.559 1.00 1.11 H new ATOM 0 HB3 PRO A 19 9.569 -15.963 -6.149 1.00 1.11 H new ATOM 0 HG2 PRO A 19 10.556 -16.903 -8.757 1.00 1.24 H new ATOM 0 HG3 PRO A 19 8.901 -16.567 -8.291 1.00 1.24 H new ATOM 0 HD2 PRO A 19 10.509 -14.965 -10.038 1.00 1.09 H new ATOM 0 HD3 PRO A 19 8.944 -14.518 -9.388 1.00 1.09 H new ATOM 323 N GLN A 20 13.215 -14.188 -7.539 1.00 0.80 N ATOM 324 CA GLN A 20 14.668 -14.117 -7.254 1.00 0.77 C ATOM 325 C GLN A 20 14.987 -12.774 -6.598 1.00 0.68 C ATOM 326 O GLN A 20 15.556 -12.714 -5.527 1.00 0.67 O ATOM 327 CB GLN A 20 15.435 -14.254 -8.580 1.00 0.85 C ATOM 328 CG GLN A 20 16.867 -14.710 -8.307 1.00 1.41 C ATOM 329 CD GLN A 20 17.711 -14.544 -9.574 1.00 1.86 C ATOM 330 OE1 GLN A 20 18.920 -14.442 -9.504 1.00 2.60 O ATOM 331 NE2 GLN A 20 17.122 -14.513 -10.739 1.00 2.30 N ATOM 0 H GLN A 20 12.962 -14.171 -8.527 1.00 0.80 H new ATOM 0 HA GLN A 20 14.963 -14.919 -6.578 1.00 0.77 H new ATOM 0 HB2 GLN A 20 14.933 -14.972 -9.228 1.00 0.85 H new ATOM 0 HB3 GLN A 20 15.442 -13.300 -9.107 1.00 0.85 H new ATOM 0 HG2 GLN A 20 17.296 -14.126 -7.493 1.00 1.41 H new ATOM 0 HG3 GLN A 20 16.873 -15.752 -7.988 1.00 1.41 H new ATOM 0 HE21 GLN A 20 16.107 -14.598 -10.800 1.00 2.30 H new ATOM 0 HE22 GLN A 20 17.677 -14.403 -11.588 1.00 2.30 H new ATOM 340 N GLN A 21 14.620 -11.695 -7.233 1.00 0.64 N ATOM 341 CA GLN A 21 14.898 -10.356 -6.644 1.00 0.59 C ATOM 342 C GLN A 21 14.280 -10.287 -5.247 1.00 0.50 C ATOM 343 O GLN A 21 14.774 -9.604 -4.370 1.00 0.47 O ATOM 344 CB GLN A 21 14.281 -9.270 -7.529 1.00 0.64 C ATOM 345 CG GLN A 21 14.662 -9.519 -8.990 1.00 1.02 C ATOM 346 CD GLN A 21 16.185 -9.593 -9.116 1.00 1.57 C ATOM 347 OE1 GLN A 21 16.736 -10.650 -9.353 1.00 2.34 O ATOM 348 NE2 GLN A 21 16.893 -8.507 -8.968 1.00 1.94 N ATOM 0 H GLN A 21 14.140 -11.683 -8.133 1.00 0.64 H new ATOM 0 HA GLN A 21 15.975 -10.199 -6.579 1.00 0.59 H new ATOM 0 HB2 GLN A 21 13.196 -9.271 -7.420 1.00 0.64 H new ATOM 0 HB3 GLN A 21 14.632 -8.287 -7.214 1.00 0.64 H new ATOM 0 HG2 GLN A 21 14.212 -10.448 -9.341 1.00 1.02 H new ATOM 0 HG3 GLN A 21 14.273 -8.719 -9.620 1.00 1.02 H new ATOM 0 HE21 GLN A 21 16.431 -7.620 -8.769 1.00 1.94 H new ATOM 0 HE22 GLN A 21 17.909 -8.545 -9.051 1.00 1.94 H new ATOM 357 N LEU A 22 13.204 -10.993 -5.032 1.00 0.52 N ATOM 358 CA LEU A 22 12.554 -10.974 -3.697 1.00 0.46 C ATOM 359 C LEU A 22 13.438 -11.716 -2.695 1.00 0.42 C ATOM 360 O LEU A 22 13.469 -11.390 -1.525 1.00 0.40 O ATOM 361 CB LEU A 22 11.191 -11.668 -3.796 1.00 0.52 C ATOM 362 CG LEU A 22 10.411 -11.527 -2.476 1.00 0.59 C ATOM 363 CD1 LEU A 22 9.719 -10.160 -2.406 1.00 0.52 C ATOM 364 CD2 LEU A 22 9.347 -12.625 -2.402 1.00 0.93 C ATOM 0 H LEU A 22 12.748 -11.583 -5.728 1.00 0.52 H new ATOM 0 HA LEU A 22 12.417 -9.945 -3.364 1.00 0.46 H new ATOM 0 HB2 LEU A 22 10.615 -11.234 -4.613 1.00 0.52 H new ATOM 0 HB3 LEU A 22 11.331 -12.723 -4.031 1.00 0.52 H new ATOM 0 HG LEU A 22 11.109 -11.617 -1.643 1.00 0.59 H new ATOM 0 HD11 LEU A 22 9.172 -10.077 -1.467 1.00 0.52 H new ATOM 0 HD12 LEU A 22 10.468 -9.370 -2.461 1.00 0.52 H new ATOM 0 HD13 LEU A 22 9.025 -10.061 -3.240 1.00 0.52 H new ATOM 0 HD21 LEU A 22 8.791 -12.531 -1.469 1.00 0.93 H new ATOM 0 HD22 LEU A 22 8.662 -12.525 -3.244 1.00 0.93 H new ATOM 0 HD23 LEU A 22 9.829 -13.602 -2.440 1.00 0.93 H new ATOM 376 N GLU A 23 14.151 -12.718 -3.135 1.00 0.44 N ATOM 377 CA GLU A 23 15.014 -13.472 -2.184 1.00 0.42 C ATOM 378 C GLU A 23 16.234 -12.619 -1.827 1.00 0.38 C ATOM 379 O GLU A 23 16.730 -12.661 -0.718 1.00 0.37 O ATOM 380 CB GLU A 23 15.464 -14.789 -2.822 1.00 0.47 C ATOM 381 CG GLU A 23 14.283 -15.760 -2.884 1.00 1.13 C ATOM 382 CD GLU A 23 13.990 -16.300 -1.483 1.00 1.66 C ATOM 383 OE1 GLU A 23 14.910 -16.805 -0.860 1.00 2.30 O ATOM 384 OE2 GLU A 23 12.852 -16.199 -1.058 1.00 2.28 O ATOM 0 H GLU A 23 14.173 -13.044 -4.101 1.00 0.44 H new ATOM 0 HA GLU A 23 14.451 -13.696 -1.278 1.00 0.42 H new ATOM 0 HB2 GLU A 23 15.850 -14.606 -3.825 1.00 0.47 H new ATOM 0 HB3 GLU A 23 16.277 -15.226 -2.243 1.00 0.47 H new ATOM 0 HG2 GLU A 23 13.403 -15.254 -3.281 1.00 1.13 H new ATOM 0 HG3 GLU A 23 14.511 -16.583 -3.562 1.00 1.13 H new ATOM 391 N ILE A 24 16.717 -11.835 -2.756 1.00 0.39 N ATOM 392 CA ILE A 24 17.891 -10.974 -2.468 1.00 0.39 C ATOM 393 C ILE A 24 17.565 -10.079 -1.272 1.00 0.36 C ATOM 394 O ILE A 24 18.317 -9.997 -0.321 1.00 0.37 O ATOM 395 CB ILE A 24 18.194 -10.115 -3.699 1.00 0.44 C ATOM 396 CG1 ILE A 24 18.460 -11.031 -4.902 1.00 0.52 C ATOM 397 CG2 ILE A 24 19.426 -9.255 -3.428 1.00 0.48 C ATOM 398 CD1 ILE A 24 18.678 -10.197 -6.173 1.00 0.89 C ATOM 0 H ILE A 24 16.345 -11.757 -3.702 1.00 0.39 H new ATOM 0 HA ILE A 24 18.762 -11.586 -2.235 1.00 0.39 H new ATOM 0 HB ILE A 24 17.343 -9.469 -3.914 1.00 0.44 H new ATOM 0 HG12 ILE A 24 19.337 -11.648 -4.710 1.00 0.52 H new ATOM 0 HG13 ILE A 24 17.618 -11.709 -5.044 1.00 0.52 H new ATOM 0 HG21 ILE A 24 19.642 -8.643 -4.304 1.00 0.48 H new ATOM 0 HG22 ILE A 24 19.237 -8.608 -2.571 1.00 0.48 H new ATOM 0 HG23 ILE A 24 20.279 -9.899 -3.215 1.00 0.48 H new ATOM 0 HD11 ILE A 24 18.865 -10.861 -7.017 1.00 0.89 H new ATOM 0 HD12 ILE A 24 17.789 -9.599 -6.373 1.00 0.89 H new ATOM 0 HD13 ILE A 24 19.535 -9.538 -6.033 1.00 0.89 H new ATOM 410 N LEU A 25 16.443 -9.412 -1.310 1.00 0.34 N ATOM 411 CA LEU A 25 16.063 -8.529 -0.171 1.00 0.34 C ATOM 412 C LEU A 25 15.899 -9.379 1.091 1.00 0.32 C ATOM 413 O LEU A 25 16.118 -8.921 2.195 1.00 0.34 O ATOM 414 CB LEU A 25 14.742 -7.821 -0.488 1.00 0.36 C ATOM 415 CG LEU A 25 14.866 -7.050 -1.809 1.00 0.38 C ATOM 416 CD1 LEU A 25 13.473 -6.615 -2.273 1.00 0.44 C ATOM 417 CD2 LEU A 25 15.747 -5.806 -1.619 1.00 0.41 C ATOM 0 H LEU A 25 15.774 -9.441 -2.080 1.00 0.34 H new ATOM 0 HA LEU A 25 16.841 -7.782 -0.011 1.00 0.34 H new ATOM 0 HB2 LEU A 25 13.936 -8.551 -0.557 1.00 0.36 H new ATOM 0 HB3 LEU A 25 14.483 -7.136 0.320 1.00 0.36 H new ATOM 0 HG LEU A 25 15.323 -7.699 -2.556 1.00 0.38 H new ATOM 0 HD11 LEU A 25 13.557 -6.067 -3.211 1.00 0.44 H new ATOM 0 HD12 LEU A 25 12.848 -7.495 -2.422 1.00 0.44 H new ATOM 0 HD13 LEU A 25 13.022 -5.973 -1.517 1.00 0.44 H new ATOM 0 HD21 LEU A 25 15.826 -5.269 -2.564 1.00 0.41 H new ATOM 0 HD22 LEU A 25 15.300 -5.155 -0.868 1.00 0.41 H new ATOM 0 HD23 LEU A 25 16.741 -6.111 -1.290 1.00 0.41 H new ATOM 429 N ARG A 26 15.524 -10.619 0.934 1.00 0.31 N ATOM 430 CA ARG A 26 15.356 -11.507 2.117 1.00 0.33 C ATOM 431 C ARG A 26 16.740 -11.887 2.641 1.00 0.31 C ATOM 432 O ARG A 26 16.978 -11.925 3.832 1.00 0.32 O ATOM 433 CB ARG A 26 14.591 -12.768 1.706 1.00 0.38 C ATOM 434 CG ARG A 26 14.119 -13.516 2.955 1.00 0.69 C ATOM 435 CD ARG A 26 13.187 -14.657 2.543 1.00 1.00 C ATOM 436 NE ARG A 26 12.691 -15.358 3.760 1.00 1.36 N ATOM 437 CZ ARG A 26 11.662 -16.156 3.679 1.00 1.86 C ATOM 438 NH1 ARG A 26 11.065 -16.335 2.532 1.00 2.36 N ATOM 439 NH2 ARG A 26 11.229 -16.773 4.744 1.00 2.46 N ATOM 0 H ARG A 26 15.326 -11.056 0.034 1.00 0.31 H new ATOM 0 HA ARG A 26 14.794 -10.992 2.896 1.00 0.33 H new ATOM 0 HB2 ARG A 26 13.735 -12.500 1.086 1.00 0.38 H new ATOM 0 HB3 ARG A 26 15.231 -13.413 1.104 1.00 0.38 H new ATOM 0 HG2 ARG A 26 14.976 -13.911 3.501 1.00 0.69 H new ATOM 0 HG3 ARG A 26 13.600 -12.833 3.627 1.00 0.69 H new ATOM 0 HD2 ARG A 26 12.348 -14.265 1.968 1.00 1.00 H new ATOM 0 HD3 ARG A 26 13.716 -15.358 1.897 1.00 1.00 H new ATOM 0 HE ARG A 26 13.156 -15.214 4.657 1.00 1.36 H new ATOM 0 HH11 ARG A 26 11.403 -15.851 1.700 1.00 2.36 H new ATOM 0 HH12 ARG A 26 10.260 -16.959 2.468 1.00 2.36 H new ATOM 0 HH21 ARG A 26 11.695 -16.632 5.640 1.00 2.46 H new ATOM 0 HH22 ARG A 26 10.424 -17.397 4.680 1.00 2.46 H new ATOM 453 N GLN A 27 17.667 -12.136 1.754 1.00 0.31 N ATOM 454 CA GLN A 27 19.049 -12.477 2.186 1.00 0.32 C ATOM 455 C GLN A 27 19.580 -11.346 3.064 1.00 0.31 C ATOM 456 O GLN A 27 20.172 -11.569 4.101 1.00 0.33 O ATOM 457 CB GLN A 27 19.938 -12.601 0.945 1.00 0.33 C ATOM 458 CG GLN A 27 19.608 -13.903 0.211 1.00 0.99 C ATOM 459 CD GLN A 27 20.128 -15.095 1.019 1.00 1.48 C ATOM 460 OE1 GLN A 27 19.355 -15.894 1.510 1.00 2.02 O ATOM 461 NE2 GLN A 27 21.414 -15.250 1.178 1.00 2.23 N ATOM 0 H GLN A 27 17.523 -12.117 0.744 1.00 0.31 H new ATOM 0 HA GLN A 27 19.050 -13.415 2.741 1.00 0.32 H new ATOM 0 HB2 GLN A 27 19.780 -11.748 0.285 1.00 0.33 H new ATOM 0 HB3 GLN A 27 20.989 -12.590 1.234 1.00 0.33 H new ATOM 0 HG2 GLN A 27 18.531 -13.989 0.069 1.00 0.99 H new ATOM 0 HG3 GLN A 27 20.061 -13.898 -0.781 1.00 0.99 H new ATOM 0 HE21 GLN A 27 22.063 -14.580 0.766 1.00 2.23 H new ATOM 0 HE22 GLN A 27 21.770 -16.041 1.714 1.00 2.23 H new ATOM 470 N GLN A 28 19.362 -10.125 2.650 1.00 0.30 N ATOM 471 CA GLN A 28 19.842 -8.965 3.448 1.00 0.31 C ATOM 472 C GLN A 28 19.095 -8.933 4.779 1.00 0.30 C ATOM 473 O GLN A 28 19.646 -8.579 5.802 1.00 0.34 O ATOM 474 CB GLN A 28 19.571 -7.667 2.683 1.00 0.33 C ATOM 475 CG GLN A 28 20.569 -7.532 1.533 1.00 1.10 C ATOM 476 CD GLN A 28 20.173 -6.346 0.650 1.00 1.61 C ATOM 477 OE1 GLN A 28 19.288 -5.588 0.992 1.00 2.28 O ATOM 478 NE2 GLN A 28 20.797 -6.152 -0.481 1.00 2.28 N ATOM 0 H GLN A 28 18.870 -9.884 1.790 1.00 0.30 H new ATOM 0 HA GLN A 28 20.913 -9.061 3.626 1.00 0.31 H new ATOM 0 HB2 GLN A 28 18.552 -7.667 2.296 1.00 0.33 H new ATOM 0 HB3 GLN A 28 19.657 -6.813 3.354 1.00 0.33 H new ATOM 0 HG2 GLN A 28 21.575 -7.387 1.926 1.00 1.10 H new ATOM 0 HG3 GLN A 28 20.587 -8.448 0.943 1.00 1.10 H new ATOM 0 HE21 GLN A 28 21.540 -6.788 -0.769 1.00 2.28 H new ATOM 0 HE22 GLN A 28 20.541 -5.364 -1.076 1.00 2.28 H new ATOM 487 N VAL A 29 17.843 -9.302 4.776 1.00 0.27 N ATOM 488 CA VAL A 29 17.072 -9.290 6.048 1.00 0.28 C ATOM 489 C VAL A 29 17.551 -10.446 6.934 1.00 0.30 C ATOM 490 O VAL A 29 17.887 -10.260 8.086 1.00 0.33 O ATOM 491 CB VAL A 29 15.579 -9.445 5.725 1.00 0.27 C ATOM 492 CG1 VAL A 29 14.782 -9.759 7.003 1.00 0.30 C ATOM 493 CG2 VAL A 29 15.069 -8.140 5.102 1.00 0.27 C ATOM 0 H VAL A 29 17.325 -9.609 3.953 1.00 0.27 H new ATOM 0 HA VAL A 29 17.226 -8.351 6.579 1.00 0.28 H new ATOM 0 HB VAL A 29 15.445 -10.270 5.025 1.00 0.27 H new ATOM 0 HG11 VAL A 29 13.726 -9.866 6.756 1.00 0.30 H new ATOM 0 HG12 VAL A 29 15.148 -10.688 7.441 1.00 0.30 H new ATOM 0 HG13 VAL A 29 14.907 -8.946 7.719 1.00 0.30 H new ATOM 0 HG21 VAL A 29 14.009 -8.238 4.868 1.00 0.27 H new ATOM 0 HG22 VAL A 29 15.211 -7.321 5.807 1.00 0.27 H new ATOM 0 HG23 VAL A 29 15.624 -7.932 4.187 1.00 0.27 H new ATOM 503 N VAL A 30 17.577 -11.639 6.406 1.00 0.31 N ATOM 504 CA VAL A 30 18.026 -12.808 7.212 1.00 0.35 C ATOM 505 C VAL A 30 19.519 -12.690 7.529 1.00 0.37 C ATOM 506 O VAL A 30 19.948 -12.933 8.639 1.00 0.42 O ATOM 507 CB VAL A 30 17.782 -14.084 6.410 1.00 0.35 C ATOM 508 CG1 VAL A 30 18.183 -15.297 7.244 1.00 0.40 C ATOM 509 CG2 VAL A 30 16.301 -14.179 6.048 1.00 0.35 C ATOM 0 H VAL A 30 17.305 -11.855 5.447 1.00 0.31 H new ATOM 0 HA VAL A 30 17.467 -12.837 8.147 1.00 0.35 H new ATOM 0 HB VAL A 30 18.379 -14.061 5.498 1.00 0.35 H new ATOM 0 HG11 VAL A 30 18.008 -16.207 6.670 1.00 0.40 H new ATOM 0 HG12 VAL A 30 19.240 -15.228 7.502 1.00 0.40 H new ATOM 0 HG13 VAL A 30 17.588 -15.324 8.157 1.00 0.40 H new ATOM 0 HG21 VAL A 30 16.124 -15.089 5.475 1.00 0.35 H new ATOM 0 HG22 VAL A 30 15.704 -14.202 6.960 1.00 0.35 H new ATOM 0 HG23 VAL A 30 16.016 -13.313 5.450 1.00 0.35 H new ATOM 519 N SER A 31 20.315 -12.331 6.561 1.00 0.36 N ATOM 520 CA SER A 31 21.782 -12.214 6.808 1.00 0.39 C ATOM 521 C SER A 31 22.049 -11.159 7.886 1.00 0.42 C ATOM 522 O SER A 31 22.996 -11.258 8.641 1.00 0.47 O ATOM 523 CB SER A 31 22.487 -11.811 5.512 1.00 0.38 C ATOM 524 OG SER A 31 22.071 -10.505 5.137 1.00 1.36 O ATOM 0 H SER A 31 20.015 -12.114 5.611 1.00 0.36 H new ATOM 0 HA SER A 31 22.165 -13.176 7.148 1.00 0.39 H new ATOM 0 HB2 SER A 31 23.568 -11.835 5.650 1.00 0.38 H new ATOM 0 HB3 SER A 31 22.251 -12.522 4.720 1.00 0.38 H new ATOM 0 HG SER A 31 21.096 -10.487 5.041 1.00 1.36 H new ATOM 530 N GLU A 32 21.232 -10.143 7.958 1.00 0.42 N ATOM 531 CA GLU A 32 21.452 -9.078 8.981 1.00 0.47 C ATOM 532 C GLU A 32 20.867 -9.516 10.331 1.00 0.49 C ATOM 533 O GLU A 32 21.019 -8.839 11.329 1.00 0.54 O ATOM 534 CB GLU A 32 20.777 -7.784 8.518 1.00 0.48 C ATOM 535 CG GLU A 32 21.545 -7.200 7.328 1.00 0.79 C ATOM 536 CD GLU A 32 22.820 -6.514 7.827 1.00 1.50 C ATOM 537 OE1 GLU A 32 22.701 -5.483 8.469 1.00 2.22 O ATOM 538 OE2 GLU A 32 23.892 -7.030 7.559 1.00 2.23 O ATOM 0 H GLU A 32 20.422 -10.004 7.354 1.00 0.42 H new ATOM 0 HA GLU A 32 22.522 -8.909 9.100 1.00 0.47 H new ATOM 0 HB2 GLU A 32 19.743 -7.983 8.234 1.00 0.48 H new ATOM 0 HB3 GLU A 32 20.750 -7.063 9.335 1.00 0.48 H new ATOM 0 HG2 GLU A 32 21.798 -7.991 6.622 1.00 0.79 H new ATOM 0 HG3 GLU A 32 20.920 -6.484 6.794 1.00 0.79 H new ATOM 545 N GLY A 33 20.219 -10.655 10.368 1.00 0.47 N ATOM 546 CA GLY A 33 19.634 -11.169 11.655 1.00 0.50 C ATOM 547 C GLY A 33 18.105 -11.238 11.565 1.00 0.50 C ATOM 548 O GLY A 33 17.428 -11.409 12.560 1.00 0.66 O ATOM 0 H GLY A 33 20.067 -11.257 9.559 1.00 0.47 H new ATOM 0 HA2 GLY A 33 20.036 -12.159 11.873 1.00 0.50 H new ATOM 0 HA3 GLY A 33 19.926 -10.518 12.479 1.00 0.50 H new ATOM 552 N GLY A 34 17.555 -11.119 10.390 1.00 0.43 N ATOM 553 CA GLY A 34 16.073 -11.195 10.252 1.00 0.43 C ATOM 554 C GLY A 34 15.400 -10.026 11.016 1.00 0.43 C ATOM 555 O GLY A 34 15.613 -8.889 10.650 1.00 0.41 O ATOM 0 H GLY A 34 18.066 -10.973 9.519 1.00 0.43 H new ATOM 0 HA2 GLY A 34 15.797 -11.156 9.198 1.00 0.43 H new ATOM 0 HA3 GLY A 34 15.713 -12.147 10.641 1.00 0.43 H new ATOM 559 N PRO A 35 14.598 -10.300 12.042 1.00 0.47 N ATOM 560 CA PRO A 35 13.924 -9.213 12.787 1.00 0.51 C ATOM 561 C PRO A 35 14.961 -8.226 13.348 1.00 0.52 C ATOM 562 O PRO A 35 14.782 -7.026 13.298 1.00 0.64 O ATOM 563 CB PRO A 35 13.150 -9.923 13.926 1.00 0.57 C ATOM 564 CG PRO A 35 13.370 -11.454 13.759 1.00 0.58 C ATOM 565 CD PRO A 35 14.298 -11.664 12.542 1.00 0.52 C ATOM 0 HA PRO A 35 13.256 -8.629 12.154 1.00 0.51 H new ATOM 0 HB2 PRO A 35 13.509 -9.588 14.899 1.00 0.57 H new ATOM 0 HB3 PRO A 35 12.088 -9.681 13.877 1.00 0.57 H new ATOM 0 HG2 PRO A 35 13.817 -11.877 14.659 1.00 0.58 H new ATOM 0 HG3 PRO A 35 12.418 -11.963 13.607 1.00 0.58 H new ATOM 0 HD2 PRO A 35 15.210 -12.188 12.828 1.00 0.52 H new ATOM 0 HD3 PRO A 35 13.811 -12.266 11.775 1.00 0.52 H new ATOM 573 N THR A 36 16.038 -8.728 13.884 1.00 0.50 N ATOM 574 CA THR A 36 17.082 -7.830 14.453 1.00 0.50 C ATOM 575 C THR A 36 17.848 -7.149 13.317 1.00 0.48 C ATOM 576 O THR A 36 18.824 -6.461 13.540 1.00 0.48 O ATOM 577 CB THR A 36 18.056 -8.664 15.288 1.00 0.51 C ATOM 578 OG1 THR A 36 18.697 -9.619 14.454 1.00 0.69 O ATOM 579 CG2 THR A 36 17.289 -9.384 16.398 1.00 0.80 C ATOM 0 H THR A 36 16.241 -9.725 13.953 1.00 0.50 H new ATOM 0 HA THR A 36 16.611 -7.071 15.078 1.00 0.50 H new ATOM 0 HB THR A 36 18.807 -8.011 15.733 1.00 0.51 H new ATOM 0 HG1 THR A 36 18.021 -10.183 14.024 1.00 0.69 H new ATOM 0 HG21 THR A 36 17.982 -9.978 16.993 1.00 0.80 H new ATOM 0 HG22 THR A 36 16.799 -8.649 17.037 1.00 0.80 H new ATOM 0 HG23 THR A 36 16.538 -10.038 15.956 1.00 0.80 H new ATOM 587 N ALA A 37 17.424 -7.351 12.100 1.00 0.48 N ATOM 588 CA ALA A 37 18.142 -6.733 10.949 1.00 0.48 C ATOM 589 C ALA A 37 18.116 -5.205 11.060 1.00 0.55 C ATOM 590 O ALA A 37 18.731 -4.625 11.933 1.00 1.10 O ATOM 591 CB ALA A 37 17.476 -7.161 9.640 1.00 0.42 C ATOM 0 H ALA A 37 16.612 -7.917 11.853 1.00 0.48 H new ATOM 0 HA ALA A 37 19.179 -7.069 10.961 1.00 0.48 H new ATOM 0 HB1 ALA A 37 18.002 -6.708 8.799 1.00 0.42 H new ATOM 0 HB2 ALA A 37 17.514 -8.247 9.550 1.00 0.42 H new ATOM 0 HB3 ALA A 37 16.436 -6.833 9.637 1.00 0.42 H new ATOM 597 N THR A 38 17.398 -4.549 10.185 1.00 0.45 N ATOM 598 CA THR A 38 17.320 -3.058 10.234 1.00 0.46 C ATOM 599 C THR A 38 15.957 -2.616 9.701 1.00 0.40 C ATOM 600 O THR A 38 15.357 -3.281 8.879 1.00 0.36 O ATOM 601 CB THR A 38 18.424 -2.450 9.362 1.00 0.48 C ATOM 602 OG1 THR A 38 18.253 -2.877 8.018 1.00 0.66 O ATOM 603 CG2 THR A 38 19.793 -2.901 9.873 1.00 0.66 C ATOM 0 H THR A 38 16.860 -4.984 9.435 1.00 0.45 H new ATOM 0 HA THR A 38 17.449 -2.720 11.262 1.00 0.46 H new ATOM 0 HB THR A 38 18.364 -1.363 9.409 1.00 0.48 H new ATOM 0 HG1 THR A 38 18.353 -3.851 7.969 1.00 0.66 H new ATOM 0 HG21 THR A 38 20.575 -2.467 9.250 1.00 0.66 H new ATOM 0 HG22 THR A 38 19.924 -2.570 10.903 1.00 0.66 H new ATOM 0 HG23 THR A 38 19.857 -3.988 9.830 1.00 0.66 H new ATOM 611 N ILE A 39 15.452 -1.510 10.171 1.00 0.47 N ATOM 612 CA ILE A 39 14.120 -1.037 9.703 1.00 0.45 C ATOM 613 C ILE A 39 14.140 -0.793 8.190 1.00 0.40 C ATOM 614 O ILE A 39 13.143 -0.958 7.515 1.00 0.38 O ATOM 615 CB ILE A 39 13.771 0.266 10.427 1.00 0.55 C ATOM 616 CG1 ILE A 39 13.717 0.005 11.937 1.00 0.73 C ATOM 617 CG2 ILE A 39 12.410 0.767 9.945 1.00 0.53 C ATOM 618 CD1 ILE A 39 13.549 1.330 12.687 1.00 0.73 C ATOM 0 H ILE A 39 15.906 -0.912 10.861 1.00 0.47 H new ATOM 0 HA ILE A 39 13.372 -1.799 9.923 1.00 0.45 H new ATOM 0 HB ILE A 39 14.529 1.019 10.214 1.00 0.55 H new ATOM 0 HG12 ILE A 39 12.888 -0.663 12.170 1.00 0.73 H new ATOM 0 HG13 ILE A 39 14.630 -0.494 12.262 1.00 0.73 H new ATOM 0 HG21 ILE A 39 12.161 1.695 10.460 1.00 0.53 H new ATOM 0 HG22 ILE A 39 12.448 0.947 8.871 1.00 0.53 H new ATOM 0 HG23 ILE A 39 11.649 0.017 10.160 1.00 0.53 H new ATOM 0 HD11 ILE A 39 13.511 1.139 13.759 1.00 0.73 H new ATOM 0 HD12 ILE A 39 14.392 1.984 12.464 1.00 0.73 H new ATOM 0 HD13 ILE A 39 12.624 1.812 12.372 1.00 0.73 H new ATOM 630 N GLN A 40 15.258 -0.391 7.651 1.00 0.42 N ATOM 631 CA GLN A 40 15.324 -0.126 6.184 1.00 0.43 C ATOM 632 C GLN A 40 15.314 -1.446 5.405 1.00 0.35 C ATOM 633 O GLN A 40 14.837 -1.515 4.287 1.00 0.37 O ATOM 634 CB GLN A 40 16.611 0.638 5.865 1.00 0.53 C ATOM 635 CG GLN A 40 16.576 2.007 6.547 1.00 1.38 C ATOM 636 CD GLN A 40 17.951 2.667 6.436 1.00 1.91 C ATOM 637 OE1 GLN A 40 18.163 3.519 5.596 1.00 2.54 O ATOM 638 NE2 GLN A 40 18.902 2.309 7.255 1.00 2.43 N ATOM 0 H GLN A 40 16.128 -0.235 8.161 1.00 0.42 H new ATOM 0 HA GLN A 40 14.457 0.466 5.892 1.00 0.43 H new ATOM 0 HB2 GLN A 40 17.477 0.072 6.208 1.00 0.53 H new ATOM 0 HB3 GLN A 40 16.716 0.760 4.787 1.00 0.53 H new ATOM 0 HG2 GLN A 40 15.819 2.638 6.081 1.00 1.38 H new ATOM 0 HG3 GLN A 40 16.297 1.896 7.595 1.00 1.38 H new ATOM 0 HE21 GLN A 40 18.725 1.594 7.961 1.00 2.43 H new ATOM 0 HE22 GLN A 40 19.822 2.744 7.190 1.00 2.43 H new ATOM 647 N SER A 41 15.839 -2.492 5.979 1.00 0.31 N ATOM 648 CA SER A 41 15.864 -3.798 5.259 1.00 0.28 C ATOM 649 C SER A 41 14.444 -4.356 5.155 1.00 0.24 C ATOM 650 O SER A 41 14.011 -4.781 4.103 1.00 0.25 O ATOM 651 CB SER A 41 16.751 -4.789 6.016 1.00 0.29 C ATOM 652 OG SER A 41 18.069 -4.263 6.108 1.00 1.32 O ATOM 0 H SER A 41 16.251 -2.501 6.912 1.00 0.31 H new ATOM 0 HA SER A 41 16.267 -3.647 4.257 1.00 0.28 H new ATOM 0 HB2 SER A 41 16.348 -4.968 7.013 1.00 0.29 H new ATOM 0 HB3 SER A 41 16.765 -5.749 5.501 1.00 0.29 H new ATOM 0 HG SER A 41 18.035 -3.359 6.485 1.00 1.32 H new ATOM 658 N ARG A 42 13.713 -4.353 6.235 1.00 0.22 N ATOM 659 CA ARG A 42 12.321 -4.878 6.188 1.00 0.21 C ATOM 660 C ARG A 42 11.476 -3.978 5.288 1.00 0.20 C ATOM 661 O ARG A 42 10.565 -4.426 4.621 1.00 0.20 O ATOM 662 CB ARG A 42 11.729 -4.884 7.600 1.00 0.24 C ATOM 663 CG ARG A 42 12.649 -5.664 8.540 1.00 0.52 C ATOM 664 CD ARG A 42 11.930 -5.909 9.868 1.00 0.82 C ATOM 665 NE ARG A 42 11.393 -4.620 10.388 1.00 1.50 N ATOM 666 CZ ARG A 42 10.497 -4.622 11.338 1.00 1.92 C ATOM 667 NH1 ARG A 42 10.072 -5.752 11.831 1.00 1.83 N ATOM 668 NH2 ARG A 42 10.027 -3.493 11.793 1.00 2.91 N ATOM 0 H ARG A 42 14.019 -4.010 7.146 1.00 0.22 H new ATOM 0 HA ARG A 42 12.326 -5.894 5.793 1.00 0.21 H new ATOM 0 HB2 ARG A 42 11.608 -3.862 7.959 1.00 0.24 H new ATOM 0 HB3 ARG A 42 10.737 -5.337 7.587 1.00 0.24 H new ATOM 0 HG2 ARG A 42 12.930 -6.614 8.086 1.00 0.52 H new ATOM 0 HG3 ARG A 42 13.570 -5.107 8.710 1.00 0.52 H new ATOM 0 HD2 ARG A 42 11.119 -6.623 9.728 1.00 0.82 H new ATOM 0 HD3 ARG A 42 12.618 -6.346 10.591 1.00 0.82 H new ATOM 0 HE ARG A 42 11.725 -3.736 10.002 1.00 1.50 H new ATOM 0 HH11 ARG A 42 10.439 -6.634 11.475 1.00 1.83 H new ATOM 0 HH12 ARG A 42 9.372 -5.754 12.573 1.00 1.83 H new ATOM 0 HH21 ARG A 42 10.359 -2.609 11.407 1.00 2.91 H new ATOM 0 HH22 ARG A 42 9.327 -3.494 12.535 1.00 2.91 H new ATOM 682 N PHE A 43 11.766 -2.707 5.276 1.00 0.22 N ATOM 683 CA PHE A 43 10.978 -1.767 4.434 1.00 0.24 C ATOM 684 C PHE A 43 10.942 -2.273 2.984 1.00 0.23 C ATOM 685 O PHE A 43 9.888 -2.382 2.385 1.00 0.23 O ATOM 686 CB PHE A 43 11.628 -0.361 4.503 1.00 0.28 C ATOM 687 CG PHE A 43 10.567 0.702 4.723 1.00 0.38 C ATOM 688 CD1 PHE A 43 9.437 0.741 3.897 1.00 1.18 C ATOM 689 CD2 PHE A 43 10.714 1.640 5.753 1.00 1.40 C ATOM 690 CE1 PHE A 43 8.455 1.718 4.101 1.00 1.22 C ATOM 691 CE2 PHE A 43 9.732 2.615 5.957 1.00 1.48 C ATOM 692 CZ PHE A 43 8.602 2.654 5.131 1.00 0.70 C ATOM 0 H PHE A 43 12.518 -2.278 5.815 1.00 0.22 H new ATOM 0 HA PHE A 43 9.954 -1.707 4.803 1.00 0.24 H new ATOM 0 HB2 PHE A 43 12.357 -0.330 5.313 1.00 0.28 H new ATOM 0 HB3 PHE A 43 12.169 -0.158 3.579 1.00 0.28 H new ATOM 0 HD1 PHE A 43 9.323 0.018 3.103 1.00 1.18 H new ATOM 0 HD2 PHE A 43 11.586 1.610 6.390 1.00 1.40 H new ATOM 0 HE1 PHE A 43 7.584 1.749 3.463 1.00 1.22 H new ATOM 0 HE2 PHE A 43 9.845 3.338 6.752 1.00 1.48 H new ATOM 0 HZ PHE A 43 7.844 3.407 5.289 1.00 0.70 H new ATOM 702 N ASN A 44 12.075 -2.580 2.407 1.00 0.24 N ATOM 703 CA ASN A 44 12.075 -3.068 0.999 1.00 0.24 C ATOM 704 C ASN A 44 11.397 -4.438 0.925 1.00 0.22 C ATOM 705 O ASN A 44 10.746 -4.764 -0.048 1.00 0.23 O ATOM 706 CB ASN A 44 13.518 -3.181 0.498 1.00 0.25 C ATOM 707 CG ASN A 44 14.318 -4.098 1.426 1.00 0.95 C ATOM 708 OD1 ASN A 44 13.946 -5.233 1.648 1.00 1.73 O ATOM 709 ND2 ASN A 44 15.413 -3.649 1.980 1.00 1.67 N ATOM 0 H ASN A 44 12.993 -2.514 2.847 1.00 0.24 H new ATOM 0 HA ASN A 44 11.527 -2.363 0.374 1.00 0.24 H new ATOM 0 HB2 ASN A 44 13.530 -3.576 -0.518 1.00 0.25 H new ATOM 0 HB3 ASN A 44 13.979 -2.194 0.462 1.00 0.25 H new ATOM 0 HD21 ASN A 44 15.956 -4.252 2.599 1.00 1.67 H new ATOM 0 HD22 ASN A 44 15.725 -2.696 1.793 1.00 1.67 H new ATOM 716 N TYR A 45 11.542 -5.243 1.941 1.00 0.21 N ATOM 717 CA TYR A 45 10.901 -6.588 1.920 1.00 0.20 C ATOM 718 C TYR A 45 9.396 -6.427 1.690 1.00 0.21 C ATOM 719 O TYR A 45 8.786 -7.161 0.935 1.00 0.22 O ATOM 720 CB TYR A 45 11.141 -7.286 3.261 1.00 0.20 C ATOM 721 CG TYR A 45 10.683 -8.724 3.175 1.00 0.21 C ATOM 722 CD1 TYR A 45 11.361 -9.624 2.345 1.00 1.12 C ATOM 723 CD2 TYR A 45 9.582 -9.160 3.927 1.00 1.33 C ATOM 724 CE1 TYR A 45 10.942 -10.957 2.264 1.00 1.05 C ATOM 725 CE2 TYR A 45 9.163 -10.494 3.846 1.00 1.43 C ATOM 726 CZ TYR A 45 9.843 -11.392 3.015 1.00 0.43 C ATOM 727 OH TYR A 45 9.431 -12.707 2.935 1.00 0.57 O ATOM 0 H TYR A 45 12.076 -5.028 2.783 1.00 0.21 H new ATOM 0 HA TYR A 45 11.331 -7.187 1.117 1.00 0.20 H new ATOM 0 HB2 TYR A 45 12.199 -7.246 3.519 1.00 0.20 H new ATOM 0 HB3 TYR A 45 10.600 -6.769 4.053 1.00 0.20 H new ATOM 0 HD1 TYR A 45 12.209 -9.289 1.766 1.00 1.12 H new ATOM 0 HD2 TYR A 45 9.058 -8.467 4.568 1.00 1.33 H new ATOM 0 HE1 TYR A 45 11.466 -11.650 1.622 1.00 1.05 H new ATOM 0 HE2 TYR A 45 8.315 -10.830 4.425 1.00 1.43 H new ATOM 0 HH TYR A 45 8.656 -12.843 3.519 1.00 0.57 H new ATOM 737 N ALA A 46 8.793 -5.469 2.338 1.00 0.22 N ATOM 738 CA ALA A 46 7.330 -5.257 2.164 1.00 0.24 C ATOM 739 C ALA A 46 7.042 -4.760 0.746 1.00 0.25 C ATOM 740 O ALA A 46 5.988 -5.008 0.199 1.00 0.28 O ATOM 741 CB ALA A 46 6.844 -4.218 3.176 1.00 0.26 C ATOM 0 H ALA A 46 9.251 -4.823 2.981 1.00 0.22 H new ATOM 0 HA ALA A 46 6.808 -6.200 2.326 1.00 0.24 H new ATOM 0 HB1 ALA A 46 5.773 -4.061 3.050 1.00 0.26 H new ATOM 0 HB2 ALA A 46 7.043 -4.574 4.187 1.00 0.26 H new ATOM 0 HB3 ALA A 46 7.370 -3.277 3.013 1.00 0.26 H new ATOM 747 N TRP A 47 7.960 -4.051 0.148 1.00 0.26 N ATOM 748 CA TRP A 47 7.710 -3.534 -1.228 1.00 0.29 C ATOM 749 C TRP A 47 7.487 -4.702 -2.199 1.00 0.29 C ATOM 750 O TRP A 47 6.533 -4.712 -2.951 1.00 0.29 O ATOM 751 CB TRP A 47 8.911 -2.698 -1.681 1.00 0.33 C ATOM 752 CG TRP A 47 8.702 -2.216 -3.083 1.00 0.34 C ATOM 753 CD1 TRP A 47 9.488 -2.542 -4.134 1.00 0.38 C ATOM 754 CD2 TRP A 47 7.665 -1.329 -3.606 1.00 0.35 C ATOM 755 NE1 TRP A 47 9.003 -1.916 -5.267 1.00 0.40 N ATOM 756 CE2 TRP A 47 7.881 -1.160 -4.995 1.00 0.38 C ATOM 757 CE3 TRP A 47 6.570 -0.663 -3.020 1.00 0.36 C ATOM 758 CZ2 TRP A 47 7.043 -0.360 -5.775 1.00 0.42 C ATOM 759 CZ3 TRP A 47 5.726 0.141 -3.804 1.00 0.42 C ATOM 760 CH2 TRP A 47 5.962 0.292 -5.177 1.00 0.44 C ATOM 0 H TRP A 47 8.866 -3.808 0.549 1.00 0.26 H new ATOM 0 HA TRP A 47 6.816 -2.911 -1.222 1.00 0.29 H new ATOM 0 HB2 TRP A 47 9.045 -1.848 -1.012 1.00 0.33 H new ATOM 0 HB3 TRP A 47 9.821 -3.295 -1.625 1.00 0.33 H new ATOM 0 HD1 TRP A 47 10.354 -3.187 -4.095 1.00 0.38 H new ATOM 0 HE1 TRP A 47 9.424 -2.002 -6.192 1.00 0.40 H new ATOM 0 HE3 TRP A 47 6.379 -0.771 -1.963 1.00 0.36 H new ATOM 0 HZ2 TRP A 47 7.229 -0.246 -6.833 1.00 0.42 H new ATOM 0 HZ3 TRP A 47 4.889 0.646 -3.345 1.00 0.42 H new ATOM 0 HH2 TRP A 47 5.308 0.912 -5.773 1.00 0.44 H new ATOM 771 N GLY A 48 8.350 -5.685 -2.199 1.00 0.29 N ATOM 772 CA GLY A 48 8.167 -6.832 -3.129 1.00 0.30 C ATOM 773 C GLY A 48 6.834 -7.523 -2.840 1.00 0.27 C ATOM 774 O GLY A 48 6.165 -7.994 -3.737 1.00 0.29 O ATOM 0 H GLY A 48 9.171 -5.740 -1.596 1.00 0.29 H new ATOM 0 HA2 GLY A 48 8.190 -6.483 -4.161 1.00 0.30 H new ATOM 0 HA3 GLY A 48 8.987 -7.540 -3.014 1.00 0.30 H new ATOM 778 N LEU A 49 6.440 -7.592 -1.596 1.00 0.25 N ATOM 779 CA LEU A 49 5.147 -8.258 -1.267 1.00 0.24 C ATOM 780 C LEU A 49 3.982 -7.380 -1.730 1.00 0.24 C ATOM 781 O LEU A 49 2.926 -7.870 -2.077 1.00 0.29 O ATOM 782 CB LEU A 49 5.051 -8.475 0.247 1.00 0.23 C ATOM 783 CG LEU A 49 6.142 -9.453 0.713 1.00 0.23 C ATOM 784 CD1 LEU A 49 6.258 -9.392 2.243 1.00 0.24 C ATOM 785 CD2 LEU A 49 5.792 -10.891 0.285 1.00 0.26 C ATOM 0 H LEU A 49 6.954 -7.218 -0.798 1.00 0.25 H new ATOM 0 HA LEU A 49 5.100 -9.221 -1.776 1.00 0.24 H new ATOM 0 HB2 LEU A 49 5.160 -7.523 0.766 1.00 0.23 H new ATOM 0 HB3 LEU A 49 4.067 -8.867 0.504 1.00 0.23 H new ATOM 0 HG LEU A 49 7.090 -9.169 0.256 1.00 0.23 H new ATOM 0 HD11 LEU A 49 7.031 -10.084 2.577 1.00 0.24 H new ATOM 0 HD12 LEU A 49 6.522 -8.379 2.548 1.00 0.24 H new ATOM 0 HD13 LEU A 49 5.304 -9.669 2.692 1.00 0.24 H new ATOM 0 HD21 LEU A 49 6.574 -11.571 0.622 1.00 0.26 H new ATOM 0 HD22 LEU A 49 4.841 -11.182 0.731 1.00 0.26 H new ATOM 0 HD23 LEU A 49 5.713 -10.938 -0.801 1.00 0.26 H new ATOM 797 N ILE A 50 4.161 -6.088 -1.738 1.00 0.24 N ATOM 798 CA ILE A 50 3.058 -5.188 -2.178 1.00 0.26 C ATOM 799 C ILE A 50 2.812 -5.377 -3.678 1.00 0.27 C ATOM 800 O ILE A 50 1.690 -5.318 -4.140 1.00 0.29 O ATOM 801 CB ILE A 50 3.445 -3.728 -1.889 1.00 0.28 C ATOM 802 CG1 ILE A 50 3.429 -3.472 -0.362 1.00 0.32 C ATOM 803 CG2 ILE A 50 2.473 -2.774 -2.601 1.00 0.32 C ATOM 804 CD1 ILE A 50 2.023 -3.085 0.121 1.00 0.73 C ATOM 0 H ILE A 50 5.022 -5.617 -1.459 1.00 0.24 H new ATOM 0 HA ILE A 50 2.146 -5.432 -1.634 1.00 0.26 H new ATOM 0 HB ILE A 50 4.451 -3.544 -2.266 1.00 0.28 H new ATOM 0 HG12 ILE A 50 3.763 -4.367 0.163 1.00 0.32 H new ATOM 0 HG13 ILE A 50 4.133 -2.677 -0.116 1.00 0.32 H new ATOM 0 HG21 ILE A 50 2.756 -1.743 -2.390 1.00 0.32 H new ATOM 0 HG22 ILE A 50 2.514 -2.949 -3.676 1.00 0.32 H new ATOM 0 HG23 ILE A 50 1.459 -2.953 -2.242 1.00 0.32 H new ATOM 0 HD11 ILE A 50 2.043 -2.911 1.197 1.00 0.73 H new ATOM 0 HD12 ILE A 50 1.701 -2.176 -0.387 1.00 0.73 H new ATOM 0 HD13 ILE A 50 1.326 -3.893 -0.103 1.00 0.73 H new ATOM 816 N LYS A 51 3.843 -5.609 -4.447 1.00 0.28 N ATOM 817 CA LYS A 51 3.647 -5.803 -5.911 1.00 0.31 C ATOM 818 C LYS A 51 3.087 -7.203 -6.166 1.00 0.31 C ATOM 819 O LYS A 51 2.722 -7.545 -7.273 1.00 0.36 O ATOM 820 CB LYS A 51 4.992 -5.649 -6.627 1.00 0.37 C ATOM 821 CG LYS A 51 5.623 -4.304 -6.247 1.00 0.72 C ATOM 822 CD LYS A 51 7.004 -4.142 -6.933 1.00 0.79 C ATOM 823 CE LYS A 51 6.872 -3.300 -8.209 1.00 0.87 C ATOM 824 NZ LYS A 51 8.196 -3.216 -8.888 1.00 1.58 N ATOM 0 H LYS A 51 4.809 -5.672 -4.125 1.00 0.28 H new ATOM 0 HA LYS A 51 2.947 -5.058 -6.290 1.00 0.31 H new ATOM 0 HB2 LYS A 51 5.658 -6.466 -6.351 1.00 0.37 H new ATOM 0 HB3 LYS A 51 4.850 -5.704 -7.706 1.00 0.37 H new ATOM 0 HG2 LYS A 51 4.964 -3.489 -6.545 1.00 0.72 H new ATOM 0 HG3 LYS A 51 5.738 -4.242 -5.165 1.00 0.72 H new ATOM 0 HD2 LYS A 51 7.705 -3.666 -6.247 1.00 0.79 H new ATOM 0 HD3 LYS A 51 7.413 -5.122 -7.177 1.00 0.79 H new ATOM 0 HE2 LYS A 51 6.136 -3.747 -8.878 1.00 0.87 H new ATOM 0 HE3 LYS A 51 6.514 -2.301 -7.963 1.00 0.87 H new ATOM 0 HZ1 LYS A 51 8.307 -2.275 -9.317 1.00 1.58 H new ATOM 0 HZ2 LYS A 51 8.953 -3.371 -8.192 1.00 1.58 H new ATOM 0 HZ3 LYS A 51 8.253 -3.943 -9.629 1.00 1.58 H new ATOM 838 N SER A 52 3.019 -8.016 -5.147 1.00 0.32 N ATOM 839 CA SER A 52 2.484 -9.396 -5.325 1.00 0.34 C ATOM 840 C SER A 52 1.056 -9.330 -5.871 1.00 0.35 C ATOM 841 O SER A 52 0.377 -8.330 -5.750 1.00 0.36 O ATOM 842 CB SER A 52 2.480 -10.115 -3.976 1.00 0.36 C ATOM 843 OG SER A 52 2.010 -11.445 -4.154 1.00 1.14 O ATOM 0 H SER A 52 3.311 -7.784 -4.198 1.00 0.32 H new ATOM 0 HA SER A 52 3.114 -9.940 -6.029 1.00 0.34 H new ATOM 0 HB2 SER A 52 3.485 -10.126 -3.554 1.00 0.36 H new ATOM 0 HB3 SER A 52 1.843 -9.583 -3.269 1.00 0.36 H new ATOM 0 HG SER A 52 2.539 -12.056 -3.600 1.00 1.14 H new ATOM 849 N THR A 53 0.599 -10.392 -6.482 1.00 0.38 N ATOM 850 CA THR A 53 -0.783 -10.401 -7.050 1.00 0.41 C ATOM 851 C THR A 53 -1.782 -10.889 -5.996 1.00 0.40 C ATOM 852 O THR A 53 -2.902 -10.424 -5.931 1.00 0.52 O ATOM 853 CB THR A 53 -0.830 -11.341 -8.257 1.00 0.46 C ATOM 854 OG1 THR A 53 -0.620 -12.677 -7.822 1.00 0.51 O ATOM 855 CG2 THR A 53 0.261 -10.949 -9.254 1.00 0.49 C ATOM 0 H THR A 53 1.125 -11.256 -6.613 1.00 0.38 H new ATOM 0 HA THR A 53 -1.048 -9.389 -7.355 1.00 0.41 H new ATOM 0 HB THR A 53 -1.804 -11.265 -8.740 1.00 0.46 H new ATOM 0 HG1 THR A 53 -0.651 -13.281 -8.593 1.00 0.51 H new ATOM 0 HG21 THR A 53 0.227 -11.619 -10.113 1.00 0.49 H new ATOM 0 HG22 THR A 53 0.099 -9.924 -9.587 1.00 0.49 H new ATOM 0 HG23 THR A 53 1.237 -11.024 -8.774 1.00 0.49 H new ATOM 863 N ASP A 54 -1.392 -11.825 -5.175 1.00 0.39 N ATOM 864 CA ASP A 54 -2.332 -12.339 -4.137 1.00 0.38 C ATOM 865 C ASP A 54 -2.439 -11.338 -2.984 1.00 0.37 C ATOM 866 O ASP A 54 -1.547 -10.553 -2.731 1.00 0.36 O ATOM 867 CB ASP A 54 -1.838 -13.689 -3.610 1.00 0.38 C ATOM 868 CG ASP A 54 -1.680 -14.669 -4.775 1.00 1.31 C ATOM 869 OD1 ASP A 54 -2.588 -14.744 -5.586 1.00 1.86 O ATOM 870 OD2 ASP A 54 -0.654 -15.326 -4.836 1.00 2.18 O ATOM 0 H ASP A 54 -0.467 -12.255 -5.177 1.00 0.39 H new ATOM 0 HA ASP A 54 -3.317 -12.469 -4.585 1.00 0.38 H new ATOM 0 HB2 ASP A 54 -0.885 -13.563 -3.096 1.00 0.38 H new ATOM 0 HB3 ASP A 54 -2.544 -14.086 -2.881 1.00 0.38 H new ATOM 875 N VAL A 55 -3.539 -11.380 -2.281 1.00 0.37 N ATOM 876 CA VAL A 55 -3.760 -10.458 -1.128 1.00 0.37 C ATOM 877 C VAL A 55 -3.031 -10.983 0.113 1.00 0.35 C ATOM 878 O VAL A 55 -2.827 -10.266 1.070 1.00 0.35 O ATOM 879 CB VAL A 55 -5.272 -10.350 -0.842 1.00 0.39 C ATOM 880 CG1 VAL A 55 -5.751 -11.547 -0.006 1.00 0.42 C ATOM 881 CG2 VAL A 55 -5.558 -9.055 -0.073 1.00 0.40 C ATOM 0 H VAL A 55 -4.308 -12.026 -2.460 1.00 0.37 H new ATOM 0 HA VAL A 55 -3.366 -9.472 -1.375 1.00 0.37 H new ATOM 0 HB VAL A 55 -5.805 -10.345 -1.793 1.00 0.39 H new ATOM 0 HG11 VAL A 55 -6.820 -11.453 0.185 1.00 0.42 H new ATOM 0 HG12 VAL A 55 -5.560 -12.471 -0.551 1.00 0.42 H new ATOM 0 HG13 VAL A 55 -5.213 -11.567 0.942 1.00 0.42 H new ATOM 0 HG21 VAL A 55 -6.627 -8.980 0.128 1.00 0.40 H new ATOM 0 HG22 VAL A 55 -5.011 -9.063 0.870 1.00 0.40 H new ATOM 0 HG23 VAL A 55 -5.240 -8.200 -0.670 1.00 0.40 H new ATOM 891 N ASN A 56 -2.627 -12.218 0.099 1.00 0.34 N ATOM 892 CA ASN A 56 -1.912 -12.768 1.285 1.00 0.34 C ATOM 893 C ASN A 56 -0.576 -12.038 1.446 1.00 0.31 C ATOM 894 O ASN A 56 -0.177 -11.681 2.538 1.00 0.31 O ATOM 895 CB ASN A 56 -1.672 -14.267 1.095 1.00 0.36 C ATOM 896 CG ASN A 56 -1.204 -14.535 -0.336 1.00 1.34 C ATOM 897 OD1 ASN A 56 -0.307 -13.878 -0.826 1.00 2.14 O ATOM 898 ND2 ASN A 56 -1.777 -15.480 -1.031 1.00 2.11 N ATOM 0 H ASN A 56 -2.758 -12.869 -0.675 1.00 0.34 H new ATOM 0 HA ASN A 56 -2.516 -12.621 2.180 1.00 0.34 H new ATOM 0 HB2 ASN A 56 -0.923 -14.618 1.805 1.00 0.36 H new ATOM 0 HB3 ASN A 56 -2.589 -14.821 1.298 1.00 0.36 H new ATOM 0 HD21 ASN A 56 -1.472 -15.667 -1.986 1.00 2.11 H new ATOM 0 HD22 ASN A 56 -2.530 -16.031 -0.619 1.00 2.11 H new ATOM 905 N ASP A 57 0.114 -11.807 0.364 1.00 0.30 N ATOM 906 CA ASP A 57 1.420 -11.097 0.446 1.00 0.30 C ATOM 907 C ASP A 57 1.176 -9.598 0.656 1.00 0.29 C ATOM 908 O ASP A 57 1.862 -8.951 1.421 1.00 0.28 O ATOM 909 CB ASP A 57 2.193 -11.318 -0.861 1.00 0.33 C ATOM 910 CG ASP A 57 2.864 -12.695 -0.839 1.00 0.42 C ATOM 911 OD1 ASP A 57 2.310 -13.592 -0.225 1.00 1.09 O ATOM 912 OD2 ASP A 57 3.921 -12.826 -1.434 1.00 1.23 O ATOM 0 H ASP A 57 -0.172 -12.080 -0.576 1.00 0.30 H new ATOM 0 HA ASP A 57 1.999 -11.485 1.284 1.00 0.30 H new ATOM 0 HB2 ASP A 57 1.515 -11.247 -1.712 1.00 0.33 H new ATOM 0 HB3 ASP A 57 2.945 -10.539 -0.986 1.00 0.33 H new ATOM 917 N GLU A 58 0.206 -9.041 -0.018 1.00 0.33 N ATOM 918 CA GLU A 58 -0.074 -7.586 0.147 1.00 0.36 C ATOM 919 C GLU A 58 -0.539 -7.314 1.578 1.00 0.34 C ATOM 920 O GLU A 58 -0.176 -6.323 2.181 1.00 0.34 O ATOM 921 CB GLU A 58 -1.170 -7.160 -0.831 1.00 0.42 C ATOM 922 CG GLU A 58 -0.739 -7.491 -2.261 1.00 0.92 C ATOM 923 CD GLU A 58 -1.930 -7.320 -3.206 1.00 1.66 C ATOM 924 OE1 GLU A 58 -2.943 -6.802 -2.764 1.00 2.21 O ATOM 925 OE2 GLU A 58 -1.810 -7.709 -4.356 1.00 2.45 O ATOM 0 H GLU A 58 -0.403 -9.529 -0.674 1.00 0.33 H new ATOM 0 HA GLU A 58 0.835 -7.019 -0.056 1.00 0.36 H new ATOM 0 HB2 GLU A 58 -2.102 -7.672 -0.594 1.00 0.42 H new ATOM 0 HB3 GLU A 58 -1.361 -6.091 -0.736 1.00 0.42 H new ATOM 0 HG2 GLU A 58 0.078 -6.837 -2.566 1.00 0.92 H new ATOM 0 HG3 GLU A 58 -0.365 -8.514 -2.312 1.00 0.92 H new ATOM 932 N ARG A 59 -1.336 -8.188 2.130 1.00 0.33 N ATOM 933 CA ARG A 59 -1.820 -7.983 3.519 1.00 0.34 C ATOM 934 C ARG A 59 -0.645 -8.111 4.490 1.00 0.30 C ATOM 935 O ARG A 59 -0.644 -7.529 5.557 1.00 0.31 O ATOM 936 CB ARG A 59 -2.878 -9.042 3.845 1.00 0.40 C ATOM 937 CG ARG A 59 -3.690 -8.592 5.057 1.00 0.68 C ATOM 938 CD ARG A 59 -4.587 -9.738 5.558 1.00 0.95 C ATOM 939 NE ARG A 59 -5.857 -9.172 6.115 1.00 1.62 N ATOM 940 CZ ARG A 59 -5.838 -8.172 6.959 1.00 2.13 C ATOM 941 NH1 ARG A 59 -4.714 -7.772 7.486 1.00 2.23 N ATOM 942 NH2 ARG A 59 -6.958 -7.610 7.321 1.00 3.12 N ATOM 0 H ARG A 59 -1.672 -9.037 1.675 1.00 0.33 H new ATOM 0 HA ARG A 59 -2.259 -6.990 3.614 1.00 0.34 H new ATOM 0 HB2 ARG A 59 -3.535 -9.191 2.988 1.00 0.40 H new ATOM 0 HB3 ARG A 59 -2.399 -9.999 4.050 1.00 0.40 H new ATOM 0 HG2 ARG A 59 -3.019 -8.272 5.854 1.00 0.68 H new ATOM 0 HG3 ARG A 59 -4.303 -7.731 4.792 1.00 0.68 H new ATOM 0 HD2 ARG A 59 -4.810 -10.424 4.740 1.00 0.95 H new ATOM 0 HD3 ARG A 59 -4.066 -10.313 6.324 1.00 0.95 H new ATOM 0 HE ARG A 59 -6.751 -9.573 5.832 1.00 1.62 H new ATOM 0 HH11 ARG A 59 -3.841 -8.239 7.241 1.00 2.23 H new ATOM 0 HH12 ARG A 59 -4.708 -6.992 8.143 1.00 2.23 H new ATOM 0 HH21 ARG A 59 -7.844 -7.950 6.947 1.00 3.12 H new ATOM 0 HH22 ARG A 59 -6.948 -6.830 7.979 1.00 3.12 H new ATOM 956 N LEU A 60 0.365 -8.852 4.123 1.00 0.28 N ATOM 957 CA LEU A 60 1.542 -8.998 5.023 1.00 0.27 C ATOM 958 C LEU A 60 2.380 -7.720 4.947 1.00 0.25 C ATOM 959 O LEU A 60 2.852 -7.213 5.945 1.00 0.26 O ATOM 960 CB LEU A 60 2.382 -10.200 4.572 1.00 0.29 C ATOM 961 CG LEU A 60 3.611 -10.369 5.480 1.00 0.30 C ATOM 962 CD1 LEU A 60 3.171 -10.629 6.930 1.00 0.32 C ATOM 963 CD2 LEU A 60 4.441 -11.555 4.973 1.00 0.34 C ATOM 0 H LEU A 60 0.425 -9.361 3.241 1.00 0.28 H new ATOM 0 HA LEU A 60 1.212 -9.160 6.049 1.00 0.27 H new ATOM 0 HB2 LEU A 60 1.776 -11.105 4.599 1.00 0.29 H new ATOM 0 HB3 LEU A 60 2.702 -10.061 3.539 1.00 0.29 H new ATOM 0 HG LEU A 60 4.208 -9.457 5.456 1.00 0.30 H new ATOM 0 HD11 LEU A 60 4.051 -10.747 7.562 1.00 0.32 H new ATOM 0 HD12 LEU A 60 2.578 -9.787 7.287 1.00 0.32 H new ATOM 0 HD13 LEU A 60 2.571 -11.538 6.971 1.00 0.32 H new ATOM 0 HD21 LEU A 60 5.316 -11.685 5.609 1.00 0.34 H new ATOM 0 HD22 LEU A 60 3.835 -12.461 4.999 1.00 0.34 H new ATOM 0 HD23 LEU A 60 4.762 -11.363 3.949 1.00 0.34 H new ATOM 975 N GLY A 61 2.560 -7.193 3.767 1.00 0.22 N ATOM 976 CA GLY A 61 3.359 -5.944 3.620 1.00 0.21 C ATOM 977 C GLY A 61 2.708 -4.824 4.435 1.00 0.20 C ATOM 978 O GLY A 61 3.379 -4.052 5.092 1.00 0.21 O ATOM 0 H GLY A 61 2.188 -7.574 2.897 1.00 0.22 H new ATOM 0 HA2 GLY A 61 4.381 -6.111 3.962 1.00 0.21 H new ATOM 0 HA3 GLY A 61 3.417 -5.658 2.570 1.00 0.21 H new ATOM 982 N VAL A 62 1.406 -4.731 4.404 1.00 0.20 N ATOM 983 CA VAL A 62 0.717 -3.663 5.183 1.00 0.21 C ATOM 984 C VAL A 62 1.126 -3.790 6.656 1.00 0.22 C ATOM 985 O VAL A 62 1.529 -2.831 7.284 1.00 0.25 O ATOM 986 CB VAL A 62 -0.815 -3.827 5.023 1.00 0.23 C ATOM 987 CG1 VAL A 62 -1.559 -3.316 6.269 1.00 0.28 C ATOM 988 CG2 VAL A 62 -1.293 -3.040 3.795 1.00 0.31 C ATOM 0 H VAL A 62 0.791 -5.348 3.874 1.00 0.20 H new ATOM 0 HA VAL A 62 1.001 -2.676 4.818 1.00 0.21 H new ATOM 0 HB VAL A 62 -1.031 -4.888 4.897 1.00 0.23 H new ATOM 0 HG11 VAL A 62 -2.633 -3.443 6.129 1.00 0.28 H new ATOM 0 HG12 VAL A 62 -1.237 -3.882 7.143 1.00 0.28 H new ATOM 0 HG13 VAL A 62 -1.335 -2.260 6.419 1.00 0.28 H new ATOM 0 HG21 VAL A 62 -2.371 -3.157 3.685 1.00 0.31 H new ATOM 0 HG22 VAL A 62 -1.054 -1.984 3.924 1.00 0.31 H new ATOM 0 HG23 VAL A 62 -0.794 -3.419 2.903 1.00 0.31 H new ATOM 998 N LYS A 63 1.016 -4.964 7.208 1.00 0.24 N ATOM 999 CA LYS A 63 1.389 -5.150 8.635 1.00 0.28 C ATOM 1000 C LYS A 63 2.829 -4.678 8.849 1.00 0.26 C ATOM 1001 O LYS A 63 3.122 -3.959 9.784 1.00 0.29 O ATOM 1002 CB LYS A 63 1.263 -6.629 8.996 1.00 0.33 C ATOM 1003 CG LYS A 63 1.350 -6.796 10.514 1.00 0.47 C ATOM 1004 CD LYS A 63 1.583 -8.271 10.859 1.00 0.58 C ATOM 1005 CE LYS A 63 0.391 -9.107 10.389 1.00 1.60 C ATOM 1006 NZ LYS A 63 0.417 -10.434 11.069 1.00 2.36 N ATOM 0 H LYS A 63 0.684 -5.803 6.732 1.00 0.24 H new ATOM 0 HA LYS A 63 0.725 -4.566 9.273 1.00 0.28 H new ATOM 0 HB2 LYS A 63 0.315 -7.023 8.630 1.00 0.33 H new ATOM 0 HB3 LYS A 63 2.054 -7.201 8.511 1.00 0.33 H new ATOM 0 HG2 LYS A 63 2.162 -6.187 10.911 1.00 0.47 H new ATOM 0 HG3 LYS A 63 0.430 -6.444 10.982 1.00 0.47 H new ATOM 0 HD2 LYS A 63 2.498 -8.625 10.383 1.00 0.58 H new ATOM 0 HD3 LYS A 63 1.718 -8.386 11.935 1.00 0.58 H new ATOM 0 HE2 LYS A 63 -0.541 -8.589 10.614 1.00 1.60 H new ATOM 0 HE3 LYS A 63 0.429 -9.239 9.308 1.00 1.60 H new ATOM 0 HZ1 LYS A 63 -0.393 -11.003 10.750 1.00 2.36 H new ATOM 0 HZ2 LYS A 63 1.301 -10.928 10.833 1.00 2.36 H new ATOM 0 HZ3 LYS A 63 0.361 -10.298 12.098 1.00 2.36 H new ATOM 1020 N ILE A 64 3.727 -5.062 7.984 1.00 0.25 N ATOM 1021 CA ILE A 64 5.140 -4.618 8.134 1.00 0.25 C ATOM 1022 C ILE A 64 5.189 -3.094 7.995 1.00 0.22 C ATOM 1023 O ILE A 64 5.766 -2.402 8.810 1.00 0.22 O ATOM 1024 CB ILE A 64 5.995 -5.277 7.040 1.00 0.28 C ATOM 1025 CG1 ILE A 64 6.223 -6.748 7.394 1.00 0.33 C ATOM 1026 CG2 ILE A 64 7.350 -4.570 6.929 1.00 0.32 C ATOM 1027 CD1 ILE A 64 6.733 -7.501 6.162 1.00 0.35 C ATOM 0 H ILE A 64 3.543 -5.663 7.181 1.00 0.25 H new ATOM 0 HA ILE A 64 5.530 -4.908 9.110 1.00 0.25 H new ATOM 0 HB ILE A 64 5.473 -5.199 6.086 1.00 0.28 H new ATOM 0 HG12 ILE A 64 6.945 -6.829 8.207 1.00 0.33 H new ATOM 0 HG13 ILE A 64 5.294 -7.196 7.747 1.00 0.33 H new ATOM 0 HG21 ILE A 64 7.946 -5.046 6.151 1.00 0.32 H new ATOM 0 HG22 ILE A 64 7.194 -3.521 6.676 1.00 0.32 H new ATOM 0 HG23 ILE A 64 7.875 -4.639 7.882 1.00 0.32 H new ATOM 0 HD11 ILE A 64 6.895 -8.548 6.417 1.00 0.35 H new ATOM 0 HD12 ILE A 64 5.996 -7.432 5.362 1.00 0.35 H new ATOM 0 HD13 ILE A 64 7.672 -7.060 5.829 1.00 0.35 H new ATOM 1039 N LEU A 65 4.584 -2.571 6.966 1.00 0.20 N ATOM 1040 CA LEU A 65 4.586 -1.097 6.764 1.00 0.19 C ATOM 1041 C LEU A 65 3.899 -0.411 7.945 1.00 0.19 C ATOM 1042 O LEU A 65 4.259 0.682 8.328 1.00 0.20 O ATOM 1043 CB LEU A 65 3.833 -0.753 5.474 1.00 0.22 C ATOM 1044 CG LEU A 65 4.581 -1.318 4.254 1.00 0.29 C ATOM 1045 CD1 LEU A 65 3.618 -1.426 3.068 1.00 0.69 C ATOM 1046 CD2 LEU A 65 5.745 -0.395 3.864 1.00 0.42 C ATOM 0 H LEU A 65 4.086 -3.104 6.253 1.00 0.20 H new ATOM 0 HA LEU A 65 5.617 -0.750 6.691 1.00 0.19 H new ATOM 0 HB2 LEU A 65 2.824 -1.164 5.513 1.00 0.22 H new ATOM 0 HB3 LEU A 65 3.734 0.328 5.380 1.00 0.22 H new ATOM 0 HG LEU A 65 4.972 -2.302 4.512 1.00 0.29 H new ATOM 0 HD11 LEU A 65 4.148 -1.826 2.204 1.00 0.69 H new ATOM 0 HD12 LEU A 65 2.794 -2.090 3.328 1.00 0.69 H new ATOM 0 HD13 LEU A 65 3.225 -0.438 2.827 1.00 0.69 H new ATOM 0 HD21 LEU A 65 6.264 -0.809 2.999 1.00 0.42 H new ATOM 0 HD22 LEU A 65 5.358 0.593 3.616 1.00 0.42 H new ATOM 0 HD23 LEU A 65 6.440 -0.313 4.699 1.00 0.42 H new ATOM 1058 N THR A 66 2.934 -1.048 8.554 1.00 0.21 N ATOM 1059 CA THR A 66 2.257 -0.429 9.720 1.00 0.25 C ATOM 1060 C THR A 66 3.109 -0.652 10.967 1.00 0.28 C ATOM 1061 O THR A 66 3.066 0.113 11.910 1.00 0.31 O ATOM 1062 CB THR A 66 0.891 -1.089 9.907 1.00 0.29 C ATOM 1063 OG1 THR A 66 0.114 -0.916 8.730 1.00 0.43 O ATOM 1064 CG2 THR A 66 0.179 -0.449 11.091 1.00 0.36 C ATOM 0 H THR A 66 2.588 -1.971 8.291 1.00 0.21 H new ATOM 0 HA THR A 66 2.127 0.641 9.555 1.00 0.25 H new ATOM 0 HB THR A 66 1.023 -2.154 10.096 1.00 0.29 H new ATOM 0 HG1 THR A 66 0.441 -1.519 8.030 1.00 0.43 H new ATOM 0 HG21 THR A 66 -0.796 -0.918 11.226 1.00 0.36 H new ATOM 0 HG22 THR A 66 0.776 -0.586 11.992 1.00 0.36 H new ATOM 0 HG23 THR A 66 0.046 0.616 10.903 1.00 0.36 H new ATOM 1072 N ASP A 67 3.906 -1.684 10.965 1.00 0.29 N ATOM 1073 CA ASP A 67 4.785 -1.946 12.136 1.00 0.34 C ATOM 1074 C ASP A 67 5.940 -0.948 12.095 1.00 0.32 C ATOM 1075 O ASP A 67 6.308 -0.360 13.092 1.00 0.35 O ATOM 1076 CB ASP A 67 5.331 -3.374 12.066 1.00 0.40 C ATOM 1077 CG ASP A 67 6.030 -3.718 13.383 1.00 1.30 C ATOM 1078 OD1 ASP A 67 6.803 -2.899 13.851 1.00 1.94 O ATOM 1079 OD2 ASP A 67 5.779 -4.794 13.900 1.00 2.12 O ATOM 0 H ASP A 67 3.986 -2.357 10.202 1.00 0.29 H new ATOM 0 HA ASP A 67 4.222 -1.835 13.063 1.00 0.34 H new ATOM 0 HB2 ASP A 67 4.519 -4.076 11.879 1.00 0.40 H new ATOM 0 HB3 ASP A 67 6.031 -3.467 11.235 1.00 0.40 H new ATOM 1084 N ILE A 68 6.507 -0.750 10.936 1.00 0.30 N ATOM 1085 CA ILE A 68 7.633 0.214 10.796 1.00 0.29 C ATOM 1086 C ILE A 68 7.107 1.637 11.000 1.00 0.27 C ATOM 1087 O ILE A 68 7.817 2.519 11.441 1.00 0.31 O ATOM 1088 CB ILE A 68 8.237 0.071 9.392 1.00 0.30 C ATOM 1089 CG1 ILE A 68 8.839 -1.337 9.249 1.00 0.34 C ATOM 1090 CG2 ILE A 68 9.328 1.139 9.172 1.00 0.33 C ATOM 1091 CD1 ILE A 68 9.060 -1.660 7.769 1.00 0.35 C ATOM 0 H ILE A 68 6.235 -1.220 10.073 1.00 0.30 H new ATOM 0 HA ILE A 68 8.400 0.009 11.543 1.00 0.29 H new ATOM 0 HB ILE A 68 7.459 0.214 8.643 1.00 0.30 H new ATOM 0 HG12 ILE A 68 9.785 -1.394 9.788 1.00 0.34 H new ATOM 0 HG13 ILE A 68 8.172 -2.074 9.696 1.00 0.34 H new ATOM 0 HG21 ILE A 68 9.750 1.028 8.173 1.00 0.33 H new ATOM 0 HG22 ILE A 68 8.891 2.132 9.273 1.00 0.33 H new ATOM 0 HG23 ILE A 68 10.116 1.012 9.914 1.00 0.33 H new ATOM 0 HD11 ILE A 68 9.487 -2.659 7.674 1.00 0.35 H new ATOM 0 HD12 ILE A 68 8.107 -1.621 7.242 1.00 0.35 H new ATOM 0 HD13 ILE A 68 9.744 -0.931 7.336 1.00 0.35 H new ATOM 1103 N TYR A 69 5.858 1.857 10.694 1.00 0.26 N ATOM 1104 CA TYR A 69 5.272 3.216 10.881 1.00 0.26 C ATOM 1105 C TYR A 69 5.223 3.532 12.382 1.00 0.28 C ATOM 1106 O TYR A 69 5.750 4.527 12.839 1.00 0.34 O ATOM 1107 CB TYR A 69 3.854 3.249 10.290 1.00 0.29 C ATOM 1108 CG TYR A 69 3.118 4.485 10.769 1.00 0.27 C ATOM 1109 CD1 TYR A 69 3.481 5.748 10.287 1.00 1.22 C ATOM 1110 CD2 TYR A 69 2.078 4.364 11.701 1.00 1.25 C ATOM 1111 CE1 TYR A 69 2.804 6.890 10.734 1.00 1.23 C ATOM 1112 CE2 TYR A 69 1.402 5.505 12.148 1.00 1.28 C ATOM 1113 CZ TYR A 69 1.765 6.768 11.665 1.00 0.38 C ATOM 1114 OH TYR A 69 1.099 7.893 12.107 1.00 0.47 O ATOM 0 H TYR A 69 5.217 1.155 10.323 1.00 0.26 H new ATOM 0 HA TYR A 69 5.884 3.960 10.371 1.00 0.26 H new ATOM 0 HB2 TYR A 69 3.905 3.246 9.201 1.00 0.29 H new ATOM 0 HB3 TYR A 69 3.308 2.353 10.586 1.00 0.29 H new ATOM 0 HD1 TYR A 69 4.283 5.842 9.570 1.00 1.22 H new ATOM 0 HD2 TYR A 69 1.798 3.390 12.074 1.00 1.25 H new ATOM 0 HE1 TYR A 69 3.083 7.864 10.361 1.00 1.23 H new ATOM 0 HE2 TYR A 69 0.600 5.411 12.866 1.00 1.28 H new ATOM 0 HH TYR A 69 0.406 7.632 12.749 1.00 0.47 H new ATOM 1124 N LYS A 70 4.590 2.687 13.145 1.00 0.31 N ATOM 1125 CA LYS A 70 4.492 2.916 14.615 1.00 0.38 C ATOM 1126 C LYS A 70 5.833 2.602 15.285 1.00 0.38 C ATOM 1127 O LYS A 70 6.120 3.089 16.361 1.00 0.45 O ATOM 1128 CB LYS A 70 3.396 2.001 15.199 1.00 0.50 C ATOM 1129 CG LYS A 70 1.976 2.613 14.975 1.00 0.79 C ATOM 1130 CD LYS A 70 1.065 1.624 14.231 1.00 0.88 C ATOM 1131 CE LYS A 70 0.663 0.483 15.167 1.00 1.50 C ATOM 1132 NZ LYS A 70 -0.254 -0.445 14.448 1.00 2.26 N ATOM 0 H LYS A 70 4.132 1.839 12.811 1.00 0.31 H new ATOM 0 HA LYS A 70 4.239 3.960 14.801 1.00 0.38 H new ATOM 0 HB2 LYS A 70 3.450 1.018 14.730 1.00 0.50 H new ATOM 0 HB3 LYS A 70 3.569 1.856 16.265 1.00 0.50 H new ATOM 0 HG2 LYS A 70 1.531 2.872 15.936 1.00 0.79 H new ATOM 0 HG3 LYS A 70 2.060 3.537 14.404 1.00 0.79 H new ATOM 0 HD2 LYS A 70 0.176 2.138 13.867 1.00 0.88 H new ATOM 0 HD3 LYS A 70 1.582 1.225 13.358 1.00 0.88 H new ATOM 0 HE2 LYS A 70 1.549 -0.054 15.506 1.00 1.50 H new ATOM 0 HE3 LYS A 70 0.172 0.882 16.055 1.00 1.50 H new ATOM 0 HZ1 LYS A 70 -0.939 -0.846 15.120 1.00 2.26 H new ATOM 0 HZ2 LYS A 70 -0.763 0.076 13.705 1.00 2.26 H new ATOM 0 HZ3 LYS A 70 0.298 -1.213 14.016 1.00 2.26 H new ATOM 1146 N GLU A 71 6.656 1.788 14.669 1.00 0.40 N ATOM 1147 CA GLU A 71 7.976 1.438 15.283 1.00 0.52 C ATOM 1148 C GLU A 71 9.092 2.246 14.610 1.00 0.55 C ATOM 1149 O GLU A 71 10.098 1.701 14.200 1.00 1.13 O ATOM 1150 CB GLU A 71 8.237 -0.058 15.069 1.00 0.63 C ATOM 1151 CG GLU A 71 9.325 -0.535 16.037 1.00 0.99 C ATOM 1152 CD GLU A 71 8.763 -0.576 17.460 1.00 1.55 C ATOM 1153 OE1 GLU A 71 7.557 -0.700 17.597 1.00 2.27 O ATOM 1154 OE2 GLU A 71 9.549 -0.485 18.389 1.00 2.13 O ATOM 0 H GLU A 71 6.471 1.350 13.767 1.00 0.40 H new ATOM 0 HA GLU A 71 7.958 1.669 16.348 1.00 0.52 H new ATOM 0 HB2 GLU A 71 7.319 -0.624 15.230 1.00 0.63 H new ATOM 0 HB3 GLU A 71 8.547 -0.240 14.040 1.00 0.63 H new ATOM 0 HG2 GLU A 71 9.677 -1.525 15.745 1.00 0.99 H new ATOM 0 HG3 GLU A 71 10.184 0.135 15.993 1.00 0.99 H new ATOM 1161 N ALA A 72 8.928 3.534 14.484 1.00 0.59 N ATOM 1162 CA ALA A 72 9.988 4.353 13.829 1.00 0.57 C ATOM 1163 C ALA A 72 9.683 5.842 14.011 1.00 0.65 C ATOM 1164 O ALA A 72 8.873 6.226 14.830 1.00 1.23 O ATOM 1165 CB ALA A 72 10.031 4.024 12.335 1.00 0.60 C ATOM 0 H ALA A 72 8.111 4.053 14.804 1.00 0.59 H new ATOM 0 HA ALA A 72 10.951 4.125 14.286 1.00 0.57 H new ATOM 0 HB1 ALA A 72 10.805 4.621 11.853 1.00 0.60 H new ATOM 0 HB2 ALA A 72 10.254 2.965 12.202 1.00 0.60 H new ATOM 0 HB3 ALA A 72 9.065 4.251 11.885 1.00 0.60 H new ATOM 1171 N GLU A 73 10.329 6.684 13.243 1.00 0.71 N ATOM 1172 CA GLU A 73 10.087 8.156 13.353 1.00 0.77 C ATOM 1173 C GLU A 73 10.114 8.773 11.949 1.00 0.65 C ATOM 1174 O GLU A 73 9.267 8.494 11.124 1.00 1.06 O ATOM 1175 CB GLU A 73 11.187 8.799 14.210 1.00 1.08 C ATOM 1176 CG GLU A 73 11.053 8.344 15.668 1.00 1.79 C ATOM 1177 CD GLU A 73 9.756 8.896 16.265 1.00 2.15 C ATOM 1178 OE1 GLU A 73 9.388 10.003 15.909 1.00 2.62 O ATOM 1179 OE2 GLU A 73 9.156 8.203 17.069 1.00 2.60 O ATOM 0 H GLU A 73 11.017 6.413 12.541 1.00 0.71 H new ATOM 0 HA GLU A 73 9.118 8.332 13.819 1.00 0.77 H new ATOM 0 HB2 GLU A 73 12.168 8.523 13.823 1.00 1.08 H new ATOM 0 HB3 GLU A 73 11.116 9.885 14.152 1.00 1.08 H new ATOM 0 HG2 GLU A 73 11.054 7.255 15.721 1.00 1.79 H new ATOM 0 HG3 GLU A 73 11.908 8.692 16.247 1.00 1.79 H new ATOM 1186 N SER A 74 11.078 9.616 11.677 1.00 0.75 N ATOM 1187 CA SER A 74 11.164 10.261 10.330 1.00 0.62 C ATOM 1188 C SER A 74 10.870 9.246 9.214 1.00 0.55 C ATOM 1189 O SER A 74 10.401 9.608 8.153 1.00 0.63 O ATOM 1190 CB SER A 74 12.569 10.832 10.134 1.00 0.82 C ATOM 1191 OG SER A 74 12.851 11.754 11.178 1.00 1.55 O ATOM 0 H SER A 74 11.812 9.887 12.332 1.00 0.75 H new ATOM 0 HA SER A 74 10.421 11.057 10.279 1.00 0.62 H new ATOM 0 HB2 SER A 74 13.304 10.027 10.135 1.00 0.82 H new ATOM 0 HB3 SER A 74 12.641 11.328 9.166 1.00 0.82 H new ATOM 0 HG SER A 74 13.752 12.121 11.056 1.00 1.55 H new ATOM 1197 N ARG A 75 11.143 7.984 9.430 1.00 0.48 N ATOM 1198 CA ARG A 75 10.877 6.977 8.366 1.00 0.45 C ATOM 1199 C ARG A 75 9.367 6.794 8.223 1.00 0.42 C ATOM 1200 O ARG A 75 8.899 6.018 7.413 1.00 0.50 O ATOM 1201 CB ARG A 75 11.511 5.631 8.756 1.00 0.52 C ATOM 1202 CG ARG A 75 12.997 5.815 9.184 1.00 0.81 C ATOM 1203 CD ARG A 75 13.944 5.303 8.090 1.00 1.10 C ATOM 1204 NE ARG A 75 13.810 6.148 6.871 1.00 1.49 N ATOM 1205 CZ ARG A 75 14.733 6.109 5.950 1.00 2.08 C ATOM 1206 NH1 ARG A 75 15.775 5.339 6.105 1.00 2.63 N ATOM 1207 NH2 ARG A 75 14.616 6.841 4.876 1.00 2.72 N ATOM 0 H ARG A 75 11.537 7.612 10.294 1.00 0.48 H new ATOM 0 HA ARG A 75 11.305 7.320 7.424 1.00 0.45 H new ATOM 0 HB2 ARG A 75 10.947 5.183 9.574 1.00 0.52 H new ATOM 0 HB3 ARG A 75 11.454 4.941 7.914 1.00 0.52 H new ATOM 0 HG2 ARG A 75 13.196 6.868 9.381 1.00 0.81 H new ATOM 0 HG3 ARG A 75 13.182 5.277 10.114 1.00 0.81 H new ATOM 0 HD2 ARG A 75 14.973 5.325 8.448 1.00 1.10 H new ATOM 0 HD3 ARG A 75 13.712 4.265 7.852 1.00 1.10 H new ATOM 0 HE ARG A 75 12.999 6.756 6.757 1.00 1.49 H new ATOM 0 HH11 ARG A 75 15.867 4.769 6.946 1.00 2.63 H new ATOM 0 HH12 ARG A 75 16.497 5.308 5.386 1.00 2.63 H new ATOM 0 HH21 ARG A 75 13.802 7.444 4.756 1.00 2.72 H new ATOM 0 HH22 ARG A 75 15.338 6.810 4.156 1.00 2.72 H new ATOM 1221 N ARG A 76 8.599 7.493 9.015 1.00 0.41 N ATOM 1222 CA ARG A 76 7.120 7.353 8.941 1.00 0.47 C ATOM 1223 C ARG A 76 6.585 8.018 7.671 1.00 0.43 C ATOM 1224 O ARG A 76 5.693 7.507 7.030 1.00 0.45 O ATOM 1225 CB ARG A 76 6.489 8.019 10.169 1.00 0.57 C ATOM 1226 CG ARG A 76 6.697 9.536 10.099 1.00 1.08 C ATOM 1227 CD ARG A 76 6.380 10.163 11.459 1.00 1.14 C ATOM 1228 NE ARG A 76 6.441 11.649 11.346 1.00 1.76 N ATOM 1229 CZ ARG A 76 5.927 12.398 12.284 1.00 2.01 C ATOM 1230 NH1 ARG A 76 5.362 11.848 13.323 1.00 1.55 N ATOM 1231 NH2 ARG A 76 5.981 13.698 12.182 1.00 3.05 N ATOM 0 H ARG A 76 8.936 8.157 9.712 1.00 0.41 H new ATOM 0 HA ARG A 76 6.864 6.294 8.918 1.00 0.47 H new ATOM 0 HB2 ARG A 76 5.424 7.790 10.212 1.00 0.57 H new ATOM 0 HB3 ARG A 76 6.937 7.623 11.080 1.00 0.57 H new ATOM 0 HG2 ARG A 76 7.726 9.759 9.816 1.00 1.08 H new ATOM 0 HG3 ARG A 76 6.054 9.966 9.331 1.00 1.08 H new ATOM 0 HD2 ARG A 76 5.390 9.853 11.793 1.00 1.14 H new ATOM 0 HD3 ARG A 76 7.092 9.815 12.207 1.00 1.14 H new ATOM 0 HE ARG A 76 6.885 12.081 10.535 1.00 1.76 H new ATOM 0 HH11 ARG A 76 5.321 10.832 13.403 1.00 1.55 H new ATOM 0 HH12 ARG A 76 4.961 12.434 14.055 1.00 1.55 H new ATOM 0 HH21 ARG A 76 6.424 14.128 11.370 1.00 3.05 H new ATOM 0 HH22 ARG A 76 5.580 14.284 12.914 1.00 3.05 H new ATOM 1245 N ARG A 77 7.121 9.151 7.303 1.00 0.40 N ATOM 1246 CA ARG A 77 6.628 9.848 6.076 1.00 0.43 C ATOM 1247 C ARG A 77 6.664 8.890 4.883 1.00 0.39 C ATOM 1248 O ARG A 77 5.692 8.734 4.166 1.00 0.39 O ATOM 1249 CB ARG A 77 7.520 11.056 5.783 1.00 0.48 C ATOM 1250 CG ARG A 77 7.356 12.096 6.894 1.00 1.10 C ATOM 1251 CD ARG A 77 8.341 13.245 6.668 1.00 1.24 C ATOM 1252 NE ARG A 77 8.129 13.820 5.309 1.00 1.80 N ATOM 1253 CZ ARG A 77 8.645 14.980 5.004 1.00 2.30 C ATOM 1254 NH1 ARG A 77 9.349 15.634 5.886 1.00 2.43 N ATOM 1255 NH2 ARG A 77 8.457 15.484 3.815 1.00 3.22 N ATOM 0 H ARG A 77 7.878 9.625 7.797 1.00 0.40 H new ATOM 0 HA ARG A 77 5.603 10.179 6.240 1.00 0.43 H new ATOM 0 HB2 ARG A 77 8.562 10.743 5.714 1.00 0.48 H new ATOM 0 HB3 ARG A 77 7.254 11.492 4.820 1.00 0.48 H new ATOM 0 HG2 ARG A 77 6.334 12.476 6.903 1.00 1.10 H new ATOM 0 HG3 ARG A 77 7.534 11.636 7.866 1.00 1.10 H new ATOM 0 HD2 ARG A 77 8.199 14.015 7.427 1.00 1.24 H new ATOM 0 HD3 ARG A 77 9.365 12.885 6.767 1.00 1.24 H new ATOM 0 HE ARG A 77 7.581 13.308 4.618 1.00 1.80 H new ATOM 0 HH11 ARG A 77 9.497 15.239 6.815 1.00 2.43 H new ATOM 0 HH12 ARG A 77 9.752 16.540 5.647 1.00 2.43 H new ATOM 0 HH21 ARG A 77 7.907 14.972 3.125 1.00 3.22 H new ATOM 0 HH22 ARG A 77 8.860 16.390 3.576 1.00 3.22 H new ATOM 1269 N GLU A 78 7.772 8.243 4.665 1.00 0.36 N ATOM 1270 CA GLU A 78 7.859 7.297 3.521 1.00 0.36 C ATOM 1271 C GLU A 78 6.755 6.248 3.656 1.00 0.30 C ATOM 1272 O GLU A 78 6.163 5.824 2.684 1.00 0.32 O ATOM 1273 CB GLU A 78 9.227 6.610 3.529 1.00 0.40 C ATOM 1274 CG GLU A 78 10.302 7.609 3.095 1.00 0.91 C ATOM 1275 CD GLU A 78 10.396 8.738 4.123 1.00 1.56 C ATOM 1276 OE1 GLU A 78 10.930 8.495 5.193 1.00 2.13 O ATOM 1277 OE2 GLU A 78 9.932 9.826 3.823 1.00 2.33 O ATOM 0 H GLU A 78 8.619 8.328 5.227 1.00 0.36 H new ATOM 0 HA GLU A 78 7.736 7.839 2.583 1.00 0.36 H new ATOM 0 HB2 GLU A 78 9.449 6.230 4.526 1.00 0.40 H new ATOM 0 HB3 GLU A 78 9.219 5.753 2.856 1.00 0.40 H new ATOM 0 HG2 GLU A 78 11.265 7.106 3.003 1.00 0.91 H new ATOM 0 HG3 GLU A 78 10.060 8.016 2.113 1.00 0.91 H new ATOM 1284 N CYS A 79 6.484 5.819 4.858 1.00 0.27 N ATOM 1285 CA CYS A 79 5.428 4.787 5.062 1.00 0.25 C ATOM 1286 C CYS A 79 4.058 5.334 4.643 1.00 0.23 C ATOM 1287 O CYS A 79 3.259 4.631 4.056 1.00 0.24 O ATOM 1288 CB CYS A 79 5.392 4.375 6.535 1.00 0.29 C ATOM 1289 SG CYS A 79 4.621 2.746 6.671 1.00 1.19 S ATOM 0 H CYS A 79 6.948 6.139 5.708 1.00 0.27 H new ATOM 0 HA CYS A 79 5.660 3.918 4.446 1.00 0.25 H new ATOM 0 HB2 CYS A 79 6.402 4.349 6.943 1.00 0.29 H new ATOM 0 HB3 CYS A 79 4.832 5.107 7.117 1.00 0.29 H new ATOM 0 HG CYS A 79 5.110 2.119 7.700 1.00 1.19 H new ATOM 1295 N LEU A 80 3.772 6.576 4.933 1.00 0.23 N ATOM 1296 CA LEU A 80 2.446 7.132 4.537 1.00 0.23 C ATOM 1297 C LEU A 80 2.245 6.893 3.041 1.00 0.21 C ATOM 1298 O LEU A 80 1.168 6.551 2.594 1.00 0.21 O ATOM 1299 CB LEU A 80 2.398 8.638 4.820 1.00 0.26 C ATOM 1300 CG LEU A 80 2.758 8.916 6.285 1.00 0.27 C ATOM 1301 CD1 LEU A 80 2.586 10.409 6.574 1.00 0.34 C ATOM 1302 CD2 LEU A 80 1.846 8.100 7.215 1.00 0.42 C ATOM 0 H LEU A 80 4.392 7.223 5.421 1.00 0.23 H new ATOM 0 HA LEU A 80 1.659 6.641 5.110 1.00 0.23 H new ATOM 0 HB2 LEU A 80 3.092 9.161 4.162 1.00 0.26 H new ATOM 0 HB3 LEU A 80 1.402 9.024 4.604 1.00 0.26 H new ATOM 0 HG LEU A 80 3.794 8.626 6.462 1.00 0.27 H new ATOM 0 HD11 LEU A 80 2.841 10.610 7.615 1.00 0.34 H new ATOM 0 HD12 LEU A 80 3.243 10.984 5.922 1.00 0.34 H new ATOM 0 HD13 LEU A 80 1.551 10.698 6.392 1.00 0.34 H new ATOM 0 HD21 LEU A 80 2.109 8.304 8.253 1.00 0.42 H new ATOM 0 HD22 LEU A 80 0.807 8.379 7.042 1.00 0.42 H new ATOM 0 HD23 LEU A 80 1.975 7.037 7.010 1.00 0.42 H new ATOM 1314 N TYR A 81 3.276 7.076 2.266 1.00 0.22 N ATOM 1315 CA TYR A 81 3.151 6.863 0.797 1.00 0.23 C ATOM 1316 C TYR A 81 2.918 5.375 0.505 1.00 0.22 C ATOM 1317 O TYR A 81 2.024 5.010 -0.232 1.00 0.22 O ATOM 1318 CB TYR A 81 4.438 7.325 0.111 1.00 0.26 C ATOM 1319 CG TYR A 81 4.243 7.319 -1.385 1.00 0.30 C ATOM 1320 CD1 TYR A 81 3.541 8.362 -2.002 1.00 1.26 C ATOM 1321 CD2 TYR A 81 4.763 6.273 -2.157 1.00 1.05 C ATOM 1322 CE1 TYR A 81 3.359 8.359 -3.390 1.00 1.31 C ATOM 1323 CE2 TYR A 81 4.582 6.270 -3.545 1.00 1.04 C ATOM 1324 CZ TYR A 81 3.880 7.313 -4.161 1.00 0.46 C ATOM 1325 OH TYR A 81 3.701 7.310 -5.529 1.00 0.55 O ATOM 0 H TYR A 81 4.201 7.364 2.586 1.00 0.22 H new ATOM 0 HA TYR A 81 2.306 7.437 0.417 1.00 0.23 H new ATOM 0 HB2 TYR A 81 4.703 8.327 0.449 1.00 0.26 H new ATOM 0 HB3 TYR A 81 5.264 6.667 0.383 1.00 0.26 H new ATOM 0 HD1 TYR A 81 3.140 9.169 -1.407 1.00 1.26 H new ATOM 0 HD2 TYR A 81 5.304 5.468 -1.681 1.00 1.05 H new ATOM 0 HE1 TYR A 81 2.817 9.163 -3.866 1.00 1.31 H new ATOM 0 HE2 TYR A 81 4.984 5.463 -4.140 1.00 1.04 H new ATOM 0 HH TYR A 81 4.510 6.967 -5.964 1.00 0.55 H new ATOM 1335 N TYR A 82 3.721 4.515 1.071 1.00 0.23 N ATOM 1336 CA TYR A 82 3.553 3.050 0.819 1.00 0.23 C ATOM 1337 C TYR A 82 2.240 2.537 1.429 1.00 0.22 C ATOM 1338 O TYR A 82 1.628 1.626 0.907 1.00 0.24 O ATOM 1339 CB TYR A 82 4.724 2.286 1.441 1.00 0.25 C ATOM 1340 CG TYR A 82 5.986 2.553 0.651 1.00 0.25 C ATOM 1341 CD1 TYR A 82 6.105 2.070 -0.657 1.00 1.30 C ATOM 1342 CD2 TYR A 82 7.037 3.280 1.226 1.00 1.13 C ATOM 1343 CE1 TYR A 82 7.272 2.314 -1.391 1.00 1.33 C ATOM 1344 CE2 TYR A 82 8.204 3.524 0.492 1.00 1.12 C ATOM 1345 CZ TYR A 82 8.321 3.041 -0.816 1.00 0.31 C ATOM 1346 OH TYR A 82 9.472 3.281 -1.540 1.00 0.36 O ATOM 0 H TYR A 82 4.487 4.761 1.698 1.00 0.23 H new ATOM 0 HA TYR A 82 3.528 2.888 -0.259 1.00 0.23 H new ATOM 0 HB2 TYR A 82 4.861 2.593 2.478 1.00 0.25 H new ATOM 0 HB3 TYR A 82 4.509 1.217 1.451 1.00 0.25 H new ATOM 0 HD1 TYR A 82 5.296 1.509 -1.101 1.00 1.30 H new ATOM 0 HD2 TYR A 82 6.947 3.652 2.236 1.00 1.13 H new ATOM 0 HE1 TYR A 82 7.363 1.941 -2.401 1.00 1.33 H new ATOM 0 HE2 TYR A 82 9.014 4.085 0.935 1.00 1.12 H new ATOM 0 HH TYR A 82 10.099 3.800 -0.995 1.00 0.36 H new ATOM 1356 N LEU A 83 1.788 3.110 2.515 1.00 0.21 N ATOM 1357 CA LEU A 83 0.511 2.635 3.117 1.00 0.20 C ATOM 1358 C LEU A 83 -0.631 2.968 2.168 1.00 0.20 C ATOM 1359 O LEU A 83 -1.538 2.179 1.986 1.00 0.25 O ATOM 1360 CB LEU A 83 0.283 3.322 4.467 1.00 0.20 C ATOM 1361 CG LEU A 83 1.220 2.723 5.529 1.00 0.22 C ATOM 1362 CD1 LEU A 83 1.232 3.636 6.758 1.00 0.24 C ATOM 1363 CD2 LEU A 83 0.748 1.313 5.941 1.00 0.25 C ATOM 0 H LEU A 83 2.245 3.879 3.006 1.00 0.21 H new ATOM 0 HA LEU A 83 0.557 1.558 3.277 1.00 0.20 H new ATOM 0 HB2 LEU A 83 0.463 4.393 4.374 1.00 0.20 H new ATOM 0 HB3 LEU A 83 -0.755 3.199 4.776 1.00 0.20 H new ATOM 0 HG LEU A 83 2.223 2.643 5.110 1.00 0.22 H new ATOM 0 HD11 LEU A 83 1.895 3.218 7.516 1.00 0.24 H new ATOM 0 HD12 LEU A 83 1.587 4.626 6.472 1.00 0.24 H new ATOM 0 HD13 LEU A 83 0.223 3.715 7.162 1.00 0.24 H new ATOM 0 HD21 LEU A 83 1.425 0.908 6.693 1.00 0.25 H new ATOM 0 HD22 LEU A 83 -0.259 1.373 6.354 1.00 0.25 H new ATOM 0 HD23 LEU A 83 0.744 0.661 5.068 1.00 0.25 H new ATOM 1375 N THR A 84 -0.605 4.115 1.539 1.00 0.19 N ATOM 1376 CA THR A 84 -1.692 4.460 0.594 1.00 0.19 C ATOM 1377 C THR A 84 -1.743 3.402 -0.508 1.00 0.22 C ATOM 1378 O THR A 84 -2.799 2.953 -0.906 1.00 0.24 O ATOM 1379 CB THR A 84 -1.380 5.832 -0.016 1.00 0.20 C ATOM 1380 OG1 THR A 84 -0.940 6.713 1.010 1.00 0.22 O ATOM 1381 CG2 THR A 84 -2.631 6.408 -0.674 1.00 0.18 C ATOM 0 H THR A 84 0.123 4.822 1.643 1.00 0.19 H new ATOM 0 HA THR A 84 -2.654 4.492 1.106 1.00 0.19 H new ATOM 0 HB THR A 84 -0.599 5.720 -0.769 1.00 0.20 H new ATOM 0 HG1 THR A 84 0.024 6.601 1.146 1.00 0.22 H new ATOM 0 HG21 THR A 84 -2.400 7.382 -1.104 1.00 0.18 H new ATOM 0 HG22 THR A 84 -2.971 5.735 -1.461 1.00 0.18 H new ATOM 0 HG23 THR A 84 -3.417 6.519 0.073 1.00 0.18 H new ATOM 1389 N ILE A 85 -0.602 3.001 -1.001 1.00 0.23 N ATOM 1390 CA ILE A 85 -0.573 1.971 -2.075 1.00 0.27 C ATOM 1391 C ILE A 85 -0.966 0.615 -1.488 1.00 0.29 C ATOM 1392 O ILE A 85 -1.814 -0.078 -2.014 1.00 0.31 O ATOM 1393 CB ILE A 85 0.837 1.889 -2.667 1.00 0.29 C ATOM 1394 CG1 ILE A 85 1.263 3.293 -3.117 1.00 0.31 C ATOM 1395 CG2 ILE A 85 0.839 0.931 -3.867 1.00 0.32 C ATOM 1396 CD1 ILE A 85 2.575 3.220 -3.901 1.00 0.61 C ATOM 0 H ILE A 85 0.312 3.344 -0.705 1.00 0.23 H new ATOM 0 HA ILE A 85 -1.277 2.243 -2.861 1.00 0.27 H new ATOM 0 HB ILE A 85 1.535 1.514 -1.918 1.00 0.29 H new ATOM 0 HG12 ILE A 85 0.484 3.736 -3.737 1.00 0.31 H new ATOM 0 HG13 ILE A 85 1.385 3.940 -2.248 1.00 0.31 H new ATOM 0 HG21 ILE A 85 1.844 0.875 -4.286 1.00 0.32 H new ATOM 0 HG22 ILE A 85 0.526 -0.061 -3.541 1.00 0.32 H new ATOM 0 HG23 ILE A 85 0.149 1.298 -4.627 1.00 0.32 H new ATOM 0 HD11 ILE A 85 2.867 4.222 -4.215 1.00 0.61 H new ATOM 0 HD12 ILE A 85 3.354 2.796 -3.267 1.00 0.61 H new ATOM 0 HD13 ILE A 85 2.439 2.589 -4.780 1.00 0.61 H new ATOM 1408 N GLY A 86 -0.360 0.232 -0.400 1.00 0.30 N ATOM 1409 CA GLY A 86 -0.703 -1.076 0.217 1.00 0.33 C ATOM 1410 C GLY A 86 -2.175 -1.070 0.627 1.00 0.33 C ATOM 1411 O GLY A 86 -2.839 -2.087 0.608 1.00 0.39 O ATOM 0 H GLY A 86 0.357 0.769 0.088 1.00 0.30 H new ATOM 0 HA2 GLY A 86 -0.513 -1.885 -0.489 1.00 0.33 H new ATOM 0 HA3 GLY A 86 -0.072 -1.257 1.087 1.00 0.33 H new ATOM 1415 N CYS A 87 -2.692 0.070 1.001 1.00 0.29 N ATOM 1416 CA CYS A 87 -4.116 0.137 1.414 1.00 0.30 C ATOM 1417 C CYS A 87 -5.018 0.124 0.174 1.00 0.35 C ATOM 1418 O CYS A 87 -6.055 -0.509 0.156 1.00 0.42 O ATOM 1419 CB CYS A 87 -4.354 1.424 2.207 1.00 0.29 C ATOM 1420 SG CYS A 87 -3.553 1.292 3.824 1.00 1.29 S ATOM 0 H CYS A 87 -2.187 0.955 1.037 1.00 0.29 H new ATOM 0 HA CYS A 87 -4.352 -0.726 2.037 1.00 0.30 H new ATOM 0 HB2 CYS A 87 -3.956 2.279 1.661 1.00 0.29 H new ATOM 0 HB3 CYS A 87 -5.423 1.595 2.332 1.00 0.29 H new ATOM 0 HG CYS A 87 -2.318 1.687 3.730 1.00 1.29 H new ATOM 1426 N TYR A 88 -4.640 0.835 -0.856 1.00 0.33 N ATOM 1427 CA TYR A 88 -5.480 0.885 -2.088 1.00 0.40 C ATOM 1428 C TYR A 88 -5.732 -0.527 -2.633 1.00 0.43 C ATOM 1429 O TYR A 88 -6.735 -0.782 -3.268 1.00 0.52 O ATOM 1430 CB TYR A 88 -4.758 1.716 -3.150 1.00 0.46 C ATOM 1431 CG TYR A 88 -5.587 1.752 -4.410 1.00 0.48 C ATOM 1432 CD1 TYR A 88 -5.447 0.742 -5.368 1.00 1.37 C ATOM 1433 CD2 TYR A 88 -6.496 2.796 -4.619 1.00 1.24 C ATOM 1434 CE1 TYR A 88 -6.216 0.776 -6.537 1.00 1.37 C ATOM 1435 CE2 TYR A 88 -7.265 2.831 -5.788 1.00 1.28 C ATOM 1436 CZ TYR A 88 -7.125 1.820 -6.748 1.00 0.59 C ATOM 1437 OH TYR A 88 -7.883 1.852 -7.900 1.00 0.66 O ATOM 0 H TYR A 88 -3.782 1.385 -0.896 1.00 0.33 H new ATOM 0 HA TYR A 88 -6.440 1.338 -1.841 1.00 0.40 H new ATOM 0 HB2 TYR A 88 -4.591 2.729 -2.783 1.00 0.46 H new ATOM 0 HB3 TYR A 88 -3.778 1.287 -3.359 1.00 0.46 H new ATOM 0 HD1 TYR A 88 -4.746 -0.063 -5.206 1.00 1.37 H new ATOM 0 HD2 TYR A 88 -6.604 3.574 -3.878 1.00 1.24 H new ATOM 0 HE1 TYR A 88 -6.108 -0.003 -7.277 1.00 1.37 H new ATOM 0 HE2 TYR A 88 -7.966 3.637 -5.950 1.00 1.28 H new ATOM 0 HH TYR A 88 -8.046 0.937 -8.210 1.00 0.66 H new ATOM 1447 N LYS A 89 -4.836 -1.446 -2.393 1.00 0.43 N ATOM 1448 CA LYS A 89 -5.044 -2.833 -2.908 1.00 0.51 C ATOM 1449 C LYS A 89 -6.054 -3.558 -2.016 1.00 0.36 C ATOM 1450 O LYS A 89 -6.714 -4.489 -2.433 1.00 0.37 O ATOM 1451 CB LYS A 89 -3.710 -3.585 -2.914 1.00 0.70 C ATOM 1452 CG LYS A 89 -2.741 -2.895 -3.881 1.00 1.00 C ATOM 1453 CD LYS A 89 -1.585 -3.840 -4.221 1.00 1.24 C ATOM 1454 CE LYS A 89 -0.594 -3.125 -5.145 1.00 1.56 C ATOM 1455 NZ LYS A 89 0.284 -4.132 -5.807 1.00 2.05 N ATOM 0 H LYS A 89 -3.975 -1.300 -1.867 1.00 0.43 H new ATOM 0 HA LYS A 89 -5.430 -2.793 -3.926 1.00 0.51 H new ATOM 0 HB2 LYS A 89 -3.287 -3.605 -1.910 1.00 0.70 H new ATOM 0 HB3 LYS A 89 -3.865 -4.621 -3.215 1.00 0.70 H new ATOM 0 HG2 LYS A 89 -3.266 -2.606 -4.791 1.00 1.00 H new ATOM 0 HG3 LYS A 89 -2.355 -1.980 -3.432 1.00 1.00 H new ATOM 0 HD2 LYS A 89 -1.082 -4.159 -3.308 1.00 1.24 H new ATOM 0 HD3 LYS A 89 -1.967 -4.739 -4.706 1.00 1.24 H new ATOM 0 HE2 LYS A 89 -1.133 -2.547 -5.896 1.00 1.56 H new ATOM 0 HE3 LYS A 89 0.010 -2.421 -4.573 1.00 1.56 H new ATOM 0 HZ1 LYS A 89 0.736 -3.704 -6.640 1.00 2.05 H new ATOM 0 HZ2 LYS A 89 1.016 -4.447 -5.139 1.00 2.05 H new ATOM 0 HZ3 LYS A 89 -0.287 -4.948 -6.105 1.00 2.05 H new ATOM 1469 N LEU A 90 -6.190 -3.119 -0.794 1.00 0.32 N ATOM 1470 CA LEU A 90 -7.169 -3.745 0.146 1.00 0.47 C ATOM 1471 C LEU A 90 -8.367 -2.804 0.276 1.00 0.56 C ATOM 1472 O LEU A 90 -9.111 -2.863 1.234 1.00 0.89 O ATOM 1473 CB LEU A 90 -6.525 -3.920 1.528 1.00 0.55 C ATOM 1474 CG LEU A 90 -5.136 -4.549 1.392 1.00 0.57 C ATOM 1475 CD1 LEU A 90 -4.519 -4.711 2.783 1.00 0.71 C ATOM 1476 CD2 LEU A 90 -5.253 -5.923 0.727 1.00 0.56 C ATOM 0 H LEU A 90 -5.658 -2.343 -0.400 1.00 0.32 H new ATOM 0 HA LEU A 90 -7.477 -4.720 -0.232 1.00 0.47 H new ATOM 0 HB2 LEU A 90 -6.447 -2.953 2.025 1.00 0.55 H new ATOM 0 HB3 LEU A 90 -7.157 -4.550 2.154 1.00 0.55 H new ATOM 0 HG LEU A 90 -4.505 -3.905 0.780 1.00 0.57 H new ATOM 0 HD11 LEU A 90 -3.529 -5.159 2.692 1.00 0.71 H new ATOM 0 HD12 LEU A 90 -4.433 -3.734 3.259 1.00 0.71 H new ATOM 0 HD13 LEU A 90 -5.155 -5.356 3.390 1.00 0.71 H new ATOM 0 HD21 LEU A 90 -4.262 -6.367 0.632 1.00 0.56 H new ATOM 0 HD22 LEU A 90 -5.884 -6.570 1.337 1.00 0.56 H new ATOM 0 HD23 LEU A 90 -5.697 -5.812 -0.262 1.00 0.56 H new ATOM 1488 N GLY A 91 -8.534 -1.908 -0.666 1.00 0.56 N ATOM 1489 CA GLY A 91 -9.640 -0.912 -0.607 1.00 0.91 C ATOM 1490 C GLY A 91 -9.908 -0.427 0.810 1.00 0.69 C ATOM 1491 O GLY A 91 -10.974 0.075 1.101 1.00 0.69 O ATOM 0 H GLY A 91 -7.936 -1.827 -1.488 1.00 0.56 H new ATOM 0 HA2 GLY A 91 -9.392 -0.059 -1.239 1.00 0.91 H new ATOM 0 HA3 GLY A 91 -10.548 -1.357 -1.014 1.00 0.91 H new ATOM 1495 N GLU A 92 -8.938 -0.476 1.672 1.00 0.54 N ATOM 1496 CA GLU A 92 -9.151 0.094 3.026 1.00 0.42 C ATOM 1497 C GLU A 92 -8.972 1.606 2.872 1.00 0.34 C ATOM 1498 O GLU A 92 -8.281 2.248 3.639 1.00 0.39 O ATOM 1499 CB GLU A 92 -8.095 -0.448 3.993 1.00 0.44 C ATOM 1500 CG GLU A 92 -8.421 -1.896 4.359 1.00 0.55 C ATOM 1501 CD GLU A 92 -7.320 -2.450 5.264 1.00 1.42 C ATOM 1502 OE1 GLU A 92 -6.653 -1.656 5.907 1.00 2.18 O ATOM 1503 OE2 GLU A 92 -7.160 -3.659 5.298 1.00 2.06 O ATOM 0 H GLU A 92 -8.017 -0.881 1.502 1.00 0.54 H new ATOM 0 HA GLU A 92 -10.134 -0.165 3.420 1.00 0.42 H new ATOM 0 HB2 GLU A 92 -7.107 -0.393 3.535 1.00 0.44 H new ATOM 0 HB3 GLU A 92 -8.064 0.166 4.893 1.00 0.44 H new ATOM 0 HG2 GLU A 92 -9.384 -1.947 4.867 1.00 0.55 H new ATOM 0 HG3 GLU A 92 -8.504 -2.501 3.456 1.00 0.55 H new ATOM 1510 N TYR A 93 -9.531 2.159 1.824 1.00 0.33 N ATOM 1511 CA TYR A 93 -9.339 3.612 1.543 1.00 0.31 C ATOM 1512 C TYR A 93 -9.513 4.455 2.807 1.00 0.25 C ATOM 1513 O TYR A 93 -9.123 5.606 2.824 1.00 0.27 O ATOM 1514 CB TYR A 93 -10.317 4.111 0.476 1.00 0.41 C ATOM 1515 CG TYR A 93 -10.424 3.131 -0.670 1.00 0.53 C ATOM 1516 CD1 TYR A 93 -9.430 3.095 -1.654 1.00 1.42 C ATOM 1517 CD2 TYR A 93 -11.532 2.278 -0.763 1.00 1.28 C ATOM 1518 CE1 TYR A 93 -9.543 2.207 -2.731 1.00 1.57 C ATOM 1519 CE2 TYR A 93 -11.643 1.388 -1.837 1.00 1.35 C ATOM 1520 CZ TYR A 93 -10.650 1.353 -2.823 1.00 0.95 C ATOM 1521 OH TYR A 93 -10.760 0.478 -3.883 1.00 1.19 O ATOM 0 H TYR A 93 -10.114 1.663 1.150 1.00 0.33 H new ATOM 0 HA TYR A 93 -8.319 3.724 1.175 1.00 0.31 H new ATOM 0 HB2 TYR A 93 -11.300 4.261 0.922 1.00 0.41 H new ATOM 0 HB3 TYR A 93 -9.986 5.079 0.100 1.00 0.41 H new ATOM 0 HD1 TYR A 93 -8.576 3.752 -1.583 1.00 1.42 H new ATOM 0 HD2 TYR A 93 -12.301 2.308 -0.005 1.00 1.28 H new ATOM 0 HE1 TYR A 93 -8.776 2.180 -3.491 1.00 1.57 H new ATOM 0 HE2 TYR A 93 -12.495 0.728 -1.905 1.00 1.35 H new ATOM 0 HH TYR A 93 -11.586 -0.042 -3.794 1.00 1.19 H new ATOM 1531 N SER A 94 -10.054 3.935 3.878 1.00 0.24 N ATOM 1532 CA SER A 94 -10.180 4.777 5.094 1.00 0.28 C ATOM 1533 C SER A 94 -8.781 5.113 5.600 1.00 0.29 C ATOM 1534 O SER A 94 -8.500 6.224 6.001 1.00 0.39 O ATOM 1535 CB SER A 94 -10.946 3.999 6.164 1.00 0.30 C ATOM 1536 OG SER A 94 -10.193 2.856 6.548 1.00 1.12 O ATOM 0 H SER A 94 -10.407 2.981 3.960 1.00 0.24 H new ATOM 0 HA SER A 94 -10.718 5.697 4.866 1.00 0.28 H new ATOM 0 HB2 SER A 94 -11.129 4.635 7.030 1.00 0.30 H new ATOM 0 HB3 SER A 94 -11.920 3.694 5.780 1.00 0.30 H new ATOM 0 HG SER A 94 -10.683 2.358 7.235 1.00 1.12 H new ATOM 1542 N MET A 95 -7.903 4.153 5.576 1.00 0.27 N ATOM 1543 CA MET A 95 -6.513 4.392 6.043 1.00 0.36 C ATOM 1544 C MET A 95 -5.733 5.127 4.958 1.00 0.26 C ATOM 1545 O MET A 95 -4.938 6.003 5.230 1.00 0.26 O ATOM 1546 CB MET A 95 -5.860 3.045 6.333 1.00 0.48 C ATOM 1547 CG MET A 95 -6.825 2.194 7.155 1.00 0.81 C ATOM 1548 SD MET A 95 -5.911 0.898 8.021 1.00 1.25 S ATOM 1549 CE MET A 95 -7.030 0.786 9.434 1.00 0.83 C ATOM 0 H MET A 95 -8.091 3.205 5.250 1.00 0.27 H new ATOM 0 HA MET A 95 -6.517 5.001 6.947 1.00 0.36 H new ATOM 0 HB2 MET A 95 -5.611 2.538 5.401 1.00 0.48 H new ATOM 0 HB3 MET A 95 -4.926 3.188 6.877 1.00 0.48 H new ATOM 0 HG2 MET A 95 -7.355 2.820 7.873 1.00 0.81 H new ATOM 0 HG3 MET A 95 -7.577 1.749 6.504 1.00 0.81 H new ATOM 0 HE1 MET A 95 -6.665 0.029 10.128 1.00 0.83 H new ATOM 0 HE2 MET A 95 -7.075 1.751 9.940 1.00 0.83 H new ATOM 0 HE3 MET A 95 -8.026 0.511 9.088 1.00 0.83 H new ATOM 1559 N ALA A 96 -5.951 4.780 3.727 1.00 0.23 N ATOM 1560 CA ALA A 96 -5.221 5.470 2.639 1.00 0.20 C ATOM 1561 C ALA A 96 -5.579 6.964 2.688 1.00 0.18 C ATOM 1562 O ALA A 96 -4.725 7.822 2.574 1.00 0.19 O ATOM 1563 CB ALA A 96 -5.624 4.861 1.291 1.00 0.23 C ATOM 0 H ALA A 96 -6.600 4.052 3.428 1.00 0.23 H new ATOM 0 HA ALA A 96 -4.144 5.352 2.762 1.00 0.20 H new ATOM 0 HB1 ALA A 96 -5.088 5.367 0.488 1.00 0.23 H new ATOM 0 HB2 ALA A 96 -5.374 3.800 1.282 1.00 0.23 H new ATOM 0 HB3 ALA A 96 -6.697 4.982 1.143 1.00 0.23 H new ATOM 1569 N LYS A 97 -6.845 7.277 2.825 1.00 0.19 N ATOM 1570 CA LYS A 97 -7.285 8.706 2.854 1.00 0.21 C ATOM 1571 C LYS A 97 -6.682 9.476 4.034 1.00 0.21 C ATOM 1572 O LYS A 97 -6.194 10.575 3.863 1.00 0.22 O ATOM 1573 CB LYS A 97 -8.809 8.757 2.967 1.00 0.29 C ATOM 1574 CG LYS A 97 -9.273 10.216 3.015 1.00 0.44 C ATOM 1575 CD LYS A 97 -10.786 10.281 2.791 1.00 0.78 C ATOM 1576 CE LYS A 97 -11.294 11.689 3.114 1.00 1.07 C ATOM 1577 NZ LYS A 97 -11.323 11.880 4.592 1.00 2.10 N ATOM 0 H LYS A 97 -7.599 6.596 2.919 1.00 0.19 H new ATOM 0 HA LYS A 97 -6.940 9.175 1.933 1.00 0.21 H new ATOM 0 HB2 LYS A 97 -9.264 8.248 2.117 1.00 0.29 H new ATOM 0 HB3 LYS A 97 -9.135 8.232 3.865 1.00 0.29 H new ATOM 0 HG2 LYS A 97 -9.018 10.658 3.978 1.00 0.44 H new ATOM 0 HG3 LYS A 97 -8.757 10.798 2.251 1.00 0.44 H new ATOM 0 HD2 LYS A 97 -11.022 10.027 1.758 1.00 0.78 H new ATOM 0 HD3 LYS A 97 -11.289 9.548 3.422 1.00 0.78 H new ATOM 0 HE2 LYS A 97 -10.647 12.435 2.653 1.00 1.07 H new ATOM 0 HE3 LYS A 97 -12.292 11.831 2.699 1.00 1.07 H new ATOM 0 HZ1 LYS A 97 -11.936 12.687 4.826 1.00 2.10 H new ATOM 0 HZ2 LYS A 97 -11.694 11.021 5.046 1.00 2.10 H new ATOM 0 HZ3 LYS A 97 -10.360 12.065 4.937 1.00 2.10 H new ATOM 1591 N ARG A 98 -6.733 8.963 5.238 1.00 0.22 N ATOM 1592 CA ARG A 98 -6.179 9.747 6.381 1.00 0.25 C ATOM 1593 C ARG A 98 -4.652 9.853 6.289 1.00 0.20 C ATOM 1594 O ARG A 98 -4.081 10.874 6.617 1.00 0.21 O ATOM 1595 CB ARG A 98 -6.577 9.074 7.705 1.00 0.33 C ATOM 1596 CG ARG A 98 -5.783 7.779 7.900 1.00 1.18 C ATOM 1597 CD ARG A 98 -6.410 6.950 9.024 1.00 1.28 C ATOM 1598 NE ARG A 98 -6.368 7.726 10.295 1.00 1.90 N ATOM 1599 CZ ARG A 98 -7.079 7.342 11.320 1.00 2.29 C ATOM 1600 NH1 ARG A 98 -7.818 6.270 11.237 1.00 2.29 N ATOM 1601 NH2 ARG A 98 -7.047 8.028 12.430 1.00 3.20 N ATOM 0 H ARG A 98 -7.127 8.052 5.475 1.00 0.22 H new ATOM 0 HA ARG A 98 -6.592 10.755 6.341 1.00 0.25 H new ATOM 0 HB2 ARG A 98 -6.390 9.753 8.537 1.00 0.33 H new ATOM 0 HB3 ARG A 98 -7.645 8.858 7.705 1.00 0.33 H new ATOM 0 HG2 ARG A 98 -5.774 7.204 6.974 1.00 1.18 H new ATOM 0 HG3 ARG A 98 -4.746 8.011 8.142 1.00 1.18 H new ATOM 0 HD2 ARG A 98 -7.440 6.698 8.773 1.00 1.28 H new ATOM 0 HD3 ARG A 98 -5.871 6.010 9.141 1.00 1.28 H new ATOM 0 HE ARG A 98 -5.783 8.559 10.364 1.00 1.90 H new ATOM 0 HH11 ARG A 98 -7.840 5.732 10.371 1.00 2.29 H new ATOM 0 HH12 ARG A 98 -8.373 5.970 12.038 1.00 2.29 H new ATOM 0 HH21 ARG A 98 -6.466 8.864 12.496 1.00 3.20 H new ATOM 0 HH22 ARG A 98 -7.603 7.728 13.231 1.00 3.20 H new ATOM 1615 N TYR A 99 -3.977 8.819 5.865 1.00 0.21 N ATOM 1616 CA TYR A 99 -2.490 8.906 5.786 1.00 0.22 C ATOM 1617 C TYR A 99 -2.079 9.815 4.621 1.00 0.19 C ATOM 1618 O TYR A 99 -1.279 10.715 4.781 1.00 0.21 O ATOM 1619 CB TYR A 99 -1.884 7.506 5.572 1.00 0.27 C ATOM 1620 CG TYR A 99 -1.955 6.655 6.839 1.00 0.29 C ATOM 1621 CD1 TYR A 99 -1.473 7.141 8.072 1.00 1.32 C ATOM 1622 CD2 TYR A 99 -2.494 5.358 6.775 1.00 1.17 C ATOM 1623 CE1 TYR A 99 -1.534 6.339 9.215 1.00 1.34 C ATOM 1624 CE2 TYR A 99 -2.550 4.560 7.927 1.00 1.18 C ATOM 1625 CZ TYR A 99 -2.070 5.051 9.143 1.00 0.40 C ATOM 1626 OH TYR A 99 -2.128 4.265 10.275 1.00 0.47 O ATOM 0 H TYR A 99 -4.383 7.930 5.574 1.00 0.21 H new ATOM 0 HA TYR A 99 -2.118 9.321 6.723 1.00 0.22 H new ATOM 0 HB2 TYR A 99 -2.414 7.000 4.765 1.00 0.27 H new ATOM 0 HB3 TYR A 99 -0.845 7.604 5.258 1.00 0.27 H new ATOM 0 HD1 TYR A 99 -1.056 8.135 8.133 1.00 1.32 H new ATOM 0 HD2 TYR A 99 -2.866 4.975 5.836 1.00 1.17 H new ATOM 0 HE1 TYR A 99 -1.165 6.716 10.157 1.00 1.34 H new ATOM 0 HE2 TYR A 99 -2.965 3.564 7.874 1.00 1.18 H new ATOM 0 HH TYR A 99 -2.530 3.399 10.052 1.00 0.47 H new ATOM 1636 N VAL A 100 -2.602 9.580 3.451 1.00 0.18 N ATOM 1637 CA VAL A 100 -2.218 10.429 2.285 1.00 0.19 C ATOM 1638 C VAL A 100 -2.568 11.892 2.579 1.00 0.21 C ATOM 1639 O VAL A 100 -1.861 12.799 2.187 1.00 0.22 O ATOM 1640 CB VAL A 100 -2.947 9.946 1.023 1.00 0.19 C ATOM 1641 CG1 VAL A 100 -4.421 10.352 1.071 1.00 0.22 C ATOM 1642 CG2 VAL A 100 -2.289 10.568 -0.211 1.00 0.20 C ATOM 0 H VAL A 100 -3.276 8.841 3.250 1.00 0.18 H new ATOM 0 HA VAL A 100 -1.144 10.349 2.116 1.00 0.19 H new ATOM 0 HB VAL A 100 -2.882 8.859 0.971 1.00 0.19 H new ATOM 0 HG11 VAL A 100 -4.924 10.002 0.169 1.00 0.22 H new ATOM 0 HG12 VAL A 100 -4.893 9.906 1.946 1.00 0.22 H new ATOM 0 HG13 VAL A 100 -4.498 11.438 1.131 1.00 0.22 H new ATOM 0 HG21 VAL A 100 -2.804 10.227 -1.109 1.00 0.20 H new ATOM 0 HG22 VAL A 100 -2.351 11.654 -0.148 1.00 0.20 H new ATOM 0 HG23 VAL A 100 -1.243 10.266 -0.256 1.00 0.20 H new ATOM 1652 N ASP A 101 -3.648 12.128 3.271 1.00 0.23 N ATOM 1653 CA ASP A 101 -4.031 13.531 3.594 1.00 0.27 C ATOM 1654 C ASP A 101 -2.937 14.162 4.455 1.00 0.26 C ATOM 1655 O ASP A 101 -2.530 15.287 4.238 1.00 0.29 O ATOM 1656 CB ASP A 101 -5.353 13.532 4.366 1.00 0.30 C ATOM 1657 CG ASP A 101 -5.772 14.973 4.663 1.00 0.97 C ATOM 1658 OD1 ASP A 101 -5.936 15.728 3.719 1.00 1.60 O ATOM 1659 OD2 ASP A 101 -5.924 15.297 5.829 1.00 1.79 O ATOM 0 H ASP A 101 -4.281 11.411 3.626 1.00 0.23 H new ATOM 0 HA ASP A 101 -4.149 14.103 2.673 1.00 0.27 H new ATOM 0 HB2 ASP A 101 -6.126 13.030 3.784 1.00 0.30 H new ATOM 0 HB3 ASP A 101 -5.243 12.975 5.297 1.00 0.30 H new ATOM 1664 N THR A 102 -2.463 13.446 5.437 1.00 0.25 N ATOM 1665 CA THR A 102 -1.400 13.992 6.326 1.00 0.26 C ATOM 1666 C THR A 102 -0.162 14.359 5.501 1.00 0.26 C ATOM 1667 O THR A 102 0.386 15.435 5.636 1.00 0.27 O ATOM 1668 CB THR A 102 -1.031 12.927 7.365 1.00 0.27 C ATOM 1669 OG1 THR A 102 -2.168 12.644 8.169 1.00 0.32 O ATOM 1670 CG2 THR A 102 0.110 13.429 8.252 1.00 0.29 C ATOM 0 H THR A 102 -2.769 12.500 5.663 1.00 0.25 H new ATOM 0 HA THR A 102 -1.766 14.889 6.825 1.00 0.26 H new ATOM 0 HB THR A 102 -0.707 12.022 6.851 1.00 0.27 H new ATOM 0 HG1 THR A 102 -2.788 12.074 7.669 1.00 0.32 H new ATOM 0 HG21 THR A 102 0.364 12.664 8.986 1.00 0.29 H new ATOM 0 HG22 THR A 102 0.983 13.644 7.635 1.00 0.29 H new ATOM 0 HG23 THR A 102 -0.202 14.337 8.767 1.00 0.29 H new ATOM 1678 N LEU A 103 0.292 13.471 4.659 1.00 0.25 N ATOM 1679 CA LEU A 103 1.504 13.772 3.842 1.00 0.27 C ATOM 1680 C LEU A 103 1.210 14.912 2.861 1.00 0.29 C ATOM 1681 O LEU A 103 1.964 15.859 2.756 1.00 0.31 O ATOM 1682 CB LEU A 103 1.912 12.520 3.054 1.00 0.29 C ATOM 1683 CG LEU A 103 3.323 12.706 2.452 1.00 0.34 C ATOM 1684 CD1 LEU A 103 4.391 12.297 3.474 1.00 0.36 C ATOM 1685 CD2 LEU A 103 3.472 11.828 1.204 1.00 0.41 C ATOM 0 H LEU A 103 -0.122 12.552 4.501 1.00 0.25 H new ATOM 0 HA LEU A 103 2.314 14.072 4.507 1.00 0.27 H new ATOM 0 HB2 LEU A 103 1.900 11.649 3.709 1.00 0.29 H new ATOM 0 HB3 LEU A 103 1.191 12.331 2.259 1.00 0.29 H new ATOM 0 HG LEU A 103 3.454 13.755 2.188 1.00 0.34 H new ATOM 0 HD11 LEU A 103 5.381 12.432 3.039 1.00 0.36 H new ATOM 0 HD12 LEU A 103 4.298 12.918 4.365 1.00 0.36 H new ATOM 0 HD13 LEU A 103 4.253 11.250 3.745 1.00 0.36 H new ATOM 0 HD21 LEU A 103 4.468 11.962 0.782 1.00 0.41 H new ATOM 0 HD22 LEU A 103 3.330 10.782 1.476 1.00 0.41 H new ATOM 0 HD23 LEU A 103 2.724 12.115 0.466 1.00 0.41 H new ATOM 1697 N PHE A 104 0.130 14.826 2.134 1.00 0.29 N ATOM 1698 CA PHE A 104 -0.195 15.903 1.157 1.00 0.32 C ATOM 1699 C PHE A 104 -0.179 17.266 1.855 1.00 0.37 C ATOM 1700 O PHE A 104 0.080 18.281 1.241 1.00 0.41 O ATOM 1701 CB PHE A 104 -1.581 15.654 0.560 1.00 0.33 C ATOM 1702 CG PHE A 104 -1.931 16.785 -0.378 1.00 0.40 C ATOM 1703 CD1 PHE A 104 -2.572 17.929 0.113 1.00 1.17 C ATOM 1704 CD2 PHE A 104 -1.611 16.691 -1.738 1.00 1.23 C ATOM 1705 CE1 PHE A 104 -2.893 18.979 -0.756 1.00 1.19 C ATOM 1706 CE2 PHE A 104 -1.933 17.741 -2.607 1.00 1.29 C ATOM 1707 CZ PHE A 104 -2.573 18.885 -2.116 1.00 0.60 C ATOM 0 H PHE A 104 -0.540 14.058 2.174 1.00 0.29 H new ATOM 0 HA PHE A 104 0.551 15.898 0.363 1.00 0.32 H new ATOM 0 HB2 PHE A 104 -1.594 14.705 0.024 1.00 0.33 H new ATOM 0 HB3 PHE A 104 -2.324 15.582 1.354 1.00 0.33 H new ATOM 0 HD1 PHE A 104 -2.819 18.001 1.162 1.00 1.17 H new ATOM 0 HD2 PHE A 104 -1.116 15.809 -2.117 1.00 1.23 H new ATOM 0 HE1 PHE A 104 -3.387 19.861 -0.377 1.00 1.19 H new ATOM 0 HE2 PHE A 104 -1.687 17.668 -3.656 1.00 1.29 H new ATOM 0 HZ PHE A 104 -2.820 19.695 -2.786 1.00 0.60 H new ATOM 1717 N GLU A 105 -0.463 17.304 3.129 1.00 0.42 N ATOM 1718 CA GLU A 105 -0.472 18.608 3.847 1.00 0.52 C ATOM 1719 C GLU A 105 0.928 19.232 3.808 1.00 0.56 C ATOM 1720 O GLU A 105 1.068 20.418 3.585 1.00 0.61 O ATOM 1721 CB GLU A 105 -0.906 18.383 5.298 1.00 0.58 C ATOM 1722 CG GLU A 105 -1.223 19.723 5.962 1.00 1.20 C ATOM 1723 CD GLU A 105 -2.598 20.215 5.504 1.00 1.75 C ATOM 1724 OE1 GLU A 105 -3.583 19.620 5.909 1.00 2.47 O ATOM 1725 OE2 GLU A 105 -2.642 21.179 4.758 1.00 2.31 O ATOM 0 H GLU A 105 -0.688 16.490 3.701 1.00 0.42 H new ATOM 0 HA GLU A 105 -1.173 19.287 3.362 1.00 0.52 H new ATOM 0 HB2 GLU A 105 -1.783 17.736 5.328 1.00 0.58 H new ATOM 0 HB3 GLU A 105 -0.115 17.873 5.848 1.00 0.58 H new ATOM 0 HG2 GLU A 105 -1.208 19.615 7.046 1.00 1.20 H new ATOM 0 HG3 GLU A 105 -0.459 20.457 5.704 1.00 1.20 H new ATOM 1838 N GLN A 112 2.449 13.106 -8.759 1.00 0.54 N ATOM 1839 CA GLN A 112 2.129 11.704 -8.411 1.00 0.49 C ATOM 1840 C GLN A 112 1.319 11.700 -7.110 1.00 0.39 C ATOM 1841 O GLN A 112 0.446 10.880 -6.911 1.00 0.37 O ATOM 1842 CB GLN A 112 3.465 10.949 -8.258 1.00 0.54 C ATOM 1843 CG GLN A 112 3.326 9.729 -7.345 1.00 1.05 C ATOM 1844 CD GLN A 112 2.192 8.833 -7.846 1.00 1.82 C ATOM 1845 OE1 GLN A 112 1.574 8.128 -7.074 1.00 2.54 O ATOM 1846 NE2 GLN A 112 1.895 8.826 -9.116 1.00 2.56 N ATOM 0 HA GLN A 112 1.532 11.213 -9.179 1.00 0.49 H new ATOM 0 HB2 GLN A 112 3.817 10.631 -9.239 1.00 0.54 H new ATOM 0 HB3 GLN A 112 4.219 11.623 -7.852 1.00 0.54 H new ATOM 0 HG2 GLN A 112 4.262 9.170 -7.325 1.00 1.05 H new ATOM 0 HG3 GLN A 112 3.124 10.049 -6.323 1.00 1.05 H new ATOM 0 HE21 GLN A 112 2.414 9.418 -9.764 1.00 2.56 H new ATOM 0 HE22 GLN A 112 1.144 8.228 -9.461 1.00 2.56 H new ATOM 1855 N VAL A 113 1.604 12.617 -6.226 1.00 0.37 N ATOM 1856 CA VAL A 113 0.850 12.676 -4.942 1.00 0.32 C ATOM 1857 C VAL A 113 -0.553 13.209 -5.228 1.00 0.32 C ATOM 1858 O VAL A 113 -1.546 12.630 -4.836 1.00 0.30 O ATOM 1859 CB VAL A 113 1.566 13.614 -3.963 1.00 0.35 C ATOM 1860 CG1 VAL A 113 0.907 13.517 -2.584 1.00 0.41 C ATOM 1861 CG2 VAL A 113 3.039 13.210 -3.851 1.00 0.40 C ATOM 0 H VAL A 113 2.327 13.328 -6.338 1.00 0.37 H new ATOM 0 HA VAL A 113 0.791 11.682 -4.499 1.00 0.32 H new ATOM 0 HB VAL A 113 1.496 14.638 -4.329 1.00 0.35 H new ATOM 0 HG11 VAL A 113 1.417 14.184 -1.889 1.00 0.41 H new ATOM 0 HG12 VAL A 113 -0.141 13.805 -2.661 1.00 0.41 H new ATOM 0 HG13 VAL A 113 0.976 12.492 -2.219 1.00 0.41 H new ATOM 0 HG21 VAL A 113 3.547 13.877 -3.155 1.00 0.40 H new ATOM 0 HG22 VAL A 113 3.108 12.185 -3.487 1.00 0.40 H new ATOM 0 HG23 VAL A 113 3.511 13.280 -4.831 1.00 0.40 H new ATOM 1871 N GLY A 114 -0.633 14.309 -5.922 1.00 0.37 N ATOM 1872 CA GLY A 114 -1.970 14.885 -6.251 1.00 0.40 C ATOM 1873 C GLY A 114 -2.781 13.830 -7.004 1.00 0.38 C ATOM 1874 O GLY A 114 -3.979 13.707 -6.843 1.00 0.38 O ATOM 0 H GLY A 114 0.166 14.835 -6.276 1.00 0.37 H new ATOM 0 HA2 GLY A 114 -2.489 15.182 -5.340 1.00 0.40 H new ATOM 0 HA3 GLY A 114 -1.857 15.782 -6.860 1.00 0.40 H new ATOM 1878 N ALA A 115 -2.124 13.061 -7.821 1.00 0.38 N ATOM 1879 CA ALA A 115 -2.828 11.996 -8.586 1.00 0.38 C ATOM 1880 C ALA A 115 -3.059 10.780 -7.682 1.00 0.33 C ATOM 1881 O ALA A 115 -4.081 10.120 -7.761 1.00 0.34 O ATOM 1882 CB ALA A 115 -1.969 11.595 -9.786 1.00 0.43 C ATOM 0 H ALA A 115 -1.121 13.124 -7.994 1.00 0.38 H new ATOM 0 HA ALA A 115 -3.792 12.367 -8.934 1.00 0.38 H new ATOM 0 HB1 ALA A 115 -2.477 10.815 -10.353 1.00 0.43 H new ATOM 0 HB2 ALA A 115 -1.810 12.463 -10.426 1.00 0.43 H new ATOM 0 HB3 ALA A 115 -1.007 11.221 -9.436 1.00 0.43 H new ATOM 1888 N LEU A 116 -2.127 10.468 -6.828 1.00 0.31 N ATOM 1889 CA LEU A 116 -2.317 9.286 -5.941 1.00 0.29 C ATOM 1890 C LEU A 116 -3.522 9.522 -5.026 1.00 0.26 C ATOM 1891 O LEU A 116 -4.409 8.696 -4.932 1.00 0.25 O ATOM 1892 CB LEU A 116 -1.053 9.086 -5.098 1.00 0.32 C ATOM 1893 CG LEU A 116 -1.260 7.965 -4.072 1.00 0.27 C ATOM 1894 CD1 LEU A 116 -1.726 6.680 -4.772 1.00 0.49 C ATOM 1895 CD2 LEU A 116 0.067 7.702 -3.352 1.00 0.68 C ATOM 0 H LEU A 116 -1.250 10.974 -6.705 1.00 0.31 H new ATOM 0 HA LEU A 116 -2.497 8.395 -6.543 1.00 0.29 H new ATOM 0 HB2 LEU A 116 -0.212 8.842 -5.747 1.00 0.32 H new ATOM 0 HB3 LEU A 116 -0.801 10.014 -4.585 1.00 0.32 H new ATOM 0 HG LEU A 116 -2.023 8.269 -3.355 1.00 0.27 H new ATOM 0 HD11 LEU A 116 -1.869 5.893 -4.031 1.00 0.49 H new ATOM 0 HD12 LEU A 116 -2.668 6.868 -5.288 1.00 0.49 H new ATOM 0 HD13 LEU A 116 -0.973 6.366 -5.495 1.00 0.49 H new ATOM 0 HD21 LEU A 116 -0.068 6.906 -2.619 1.00 0.68 H new ATOM 0 HD22 LEU A 116 0.822 7.402 -4.079 1.00 0.68 H new ATOM 0 HD23 LEU A 116 0.392 8.610 -2.845 1.00 0.68 H new ATOM 1907 N LYS A 117 -3.562 10.632 -4.341 1.00 0.27 N ATOM 1908 CA LYS A 117 -4.713 10.891 -3.434 1.00 0.28 C ATOM 1909 C LYS A 117 -5.999 10.948 -4.261 1.00 0.28 C ATOM 1910 O LYS A 117 -7.070 10.633 -3.781 1.00 0.29 O ATOM 1911 CB LYS A 117 -4.504 12.218 -2.682 1.00 0.33 C ATOM 1912 CG LYS A 117 -4.589 13.422 -3.655 1.00 0.78 C ATOM 1913 CD LYS A 117 -5.962 14.103 -3.557 1.00 0.86 C ATOM 1914 CE LYS A 117 -6.080 15.173 -4.644 1.00 1.44 C ATOM 1915 NZ LYS A 117 -7.449 15.763 -4.615 1.00 2.16 N ATOM 0 H LYS A 117 -2.853 11.365 -4.370 1.00 0.27 H new ATOM 0 HA LYS A 117 -4.789 10.088 -2.701 1.00 0.28 H new ATOM 0 HB2 LYS A 117 -5.258 12.322 -1.902 1.00 0.33 H new ATOM 0 HB3 LYS A 117 -3.532 12.212 -2.188 1.00 0.33 H new ATOM 0 HG2 LYS A 117 -3.804 14.141 -3.422 1.00 0.78 H new ATOM 0 HG3 LYS A 117 -4.418 13.083 -4.677 1.00 0.78 H new ATOM 0 HD2 LYS A 117 -6.755 13.364 -3.672 1.00 0.86 H new ATOM 0 HD3 LYS A 117 -6.086 14.554 -2.573 1.00 0.86 H new ATOM 0 HE2 LYS A 117 -5.334 15.951 -4.485 1.00 1.44 H new ATOM 0 HE3 LYS A 117 -5.882 14.736 -5.623 1.00 1.44 H new ATOM 0 HZ1 LYS A 117 -7.529 16.490 -5.354 1.00 2.16 H new ATOM 0 HZ2 LYS A 117 -8.152 15.016 -4.786 1.00 2.16 H new ATOM 0 HZ3 LYS A 117 -7.621 16.194 -3.685 1.00 2.16 H new ATOM 1929 N SER A 118 -5.905 11.352 -5.502 1.00 0.29 N ATOM 1930 CA SER A 118 -7.124 11.433 -6.353 1.00 0.31 C ATOM 1931 C SER A 118 -7.760 10.049 -6.502 1.00 0.29 C ATOM 1932 O SER A 118 -8.962 9.932 -6.603 1.00 0.30 O ATOM 1933 CB SER A 118 -6.753 11.961 -7.738 1.00 0.34 C ATOM 1934 OG SER A 118 -6.172 10.911 -8.500 1.00 1.35 O ATOM 0 H SER A 118 -5.037 11.628 -5.960 1.00 0.29 H new ATOM 0 HA SER A 118 -7.835 12.108 -5.877 1.00 0.31 H new ATOM 0 HB2 SER A 118 -7.639 12.345 -8.243 1.00 0.34 H new ATOM 0 HB3 SER A 118 -6.053 12.791 -7.648 1.00 0.34 H new ATOM 0 HG SER A 118 -5.557 10.398 -7.935 1.00 1.35 H new ATOM 1940 N MET A 119 -6.984 8.993 -6.486 1.00 0.26 N ATOM 1941 CA MET A 119 -7.589 7.630 -6.606 1.00 0.25 C ATOM 1942 C MET A 119 -8.278 7.287 -5.279 1.00 0.23 C ATOM 1943 O MET A 119 -9.388 6.798 -5.241 1.00 0.24 O ATOM 1944 CB MET A 119 -6.474 6.606 -6.897 1.00 0.26 C ATOM 1945 CG MET A 119 -6.263 6.466 -8.409 1.00 0.61 C ATOM 1946 SD MET A 119 -5.746 8.062 -9.099 1.00 1.03 S ATOM 1947 CE MET A 119 -4.025 7.632 -9.469 1.00 0.69 C ATOM 0 H MET A 119 -5.968 9.014 -6.396 1.00 0.26 H new ATOM 0 HA MET A 119 -8.317 7.605 -7.417 1.00 0.25 H new ATOM 0 HB2 MET A 119 -5.546 6.923 -6.421 1.00 0.26 H new ATOM 0 HB3 MET A 119 -6.738 5.639 -6.468 1.00 0.26 H new ATOM 0 HG2 MET A 119 -5.507 5.708 -8.613 1.00 0.61 H new ATOM 0 HG3 MET A 119 -7.185 6.133 -8.886 1.00 0.61 H new ATOM 0 HE1 MET A 119 -3.521 8.493 -9.908 1.00 0.69 H new ATOM 0 HE2 MET A 119 -3.516 7.344 -8.549 1.00 0.69 H new ATOM 0 HE3 MET A 119 -4.001 6.800 -10.172 1.00 0.69 H new ATOM 1957 N VAL A 120 -7.621 7.577 -4.196 1.00 0.21 N ATOM 1958 CA VAL A 120 -8.200 7.322 -2.846 1.00 0.20 C ATOM 1959 C VAL A 120 -9.477 8.136 -2.645 1.00 0.22 C ATOM 1960 O VAL A 120 -10.500 7.606 -2.264 1.00 0.22 O ATOM 1961 CB VAL A 120 -7.188 7.755 -1.790 1.00 0.20 C ATOM 1962 CG1 VAL A 120 -7.746 7.430 -0.402 1.00 0.20 C ATOM 1963 CG2 VAL A 120 -5.875 6.998 -2.002 1.00 0.23 C ATOM 0 H VAL A 120 -6.688 7.989 -4.186 1.00 0.21 H new ATOM 0 HA VAL A 120 -8.432 6.261 -2.758 1.00 0.20 H new ATOM 0 HB VAL A 120 -7.004 8.826 -1.872 1.00 0.20 H new ATOM 0 HG11 VAL A 120 -7.029 7.736 0.359 1.00 0.20 H new ATOM 0 HG12 VAL A 120 -8.684 7.965 -0.253 1.00 0.20 H new ATOM 0 HG13 VAL A 120 -7.923 6.357 -0.323 1.00 0.20 H new ATOM 0 HG21 VAL A 120 -5.151 7.307 -1.248 1.00 0.23 H new ATOM 0 HG22 VAL A 120 -6.055 5.926 -1.915 1.00 0.23 H new ATOM 0 HG23 VAL A 120 -5.483 7.221 -2.994 1.00 0.23 H new ATOM 1973 N GLU A 121 -9.431 9.415 -2.871 1.00 0.25 N ATOM 1974 CA GLU A 121 -10.654 10.241 -2.655 1.00 0.29 C ATOM 1975 C GLU A 121 -11.701 9.912 -3.723 1.00 0.28 C ATOM 1976 O GLU A 121 -12.885 9.930 -3.462 1.00 0.31 O ATOM 1977 CB GLU A 121 -10.268 11.740 -2.714 1.00 0.35 C ATOM 1978 CG GLU A 121 -10.859 12.495 -1.517 1.00 1.07 C ATOM 1979 CD GLU A 121 -12.382 12.349 -1.521 1.00 1.63 C ATOM 1980 OE1 GLU A 121 -13.011 12.919 -2.398 1.00 2.20 O ATOM 1981 OE2 GLU A 121 -12.895 11.669 -0.647 1.00 2.27 O ATOM 0 H GLU A 121 -8.608 9.925 -3.193 1.00 0.25 H new ATOM 0 HA GLU A 121 -11.082 10.020 -1.677 1.00 0.29 H new ATOM 0 HB2 GLU A 121 -9.183 11.842 -2.716 1.00 0.35 H new ATOM 0 HB3 GLU A 121 -10.631 12.179 -3.643 1.00 0.35 H new ATOM 0 HG2 GLU A 121 -10.448 12.102 -0.587 1.00 1.07 H new ATOM 0 HG3 GLU A 121 -10.584 13.549 -1.567 1.00 1.07 H new ATOM 1988 N ASP A 122 -11.282 9.611 -4.916 1.00 0.28 N ATOM 1989 CA ASP A 122 -12.277 9.288 -5.973 1.00 0.30 C ATOM 1990 C ASP A 122 -12.943 7.955 -5.650 1.00 0.28 C ATOM 1991 O ASP A 122 -14.110 7.765 -5.912 1.00 0.31 O ATOM 1992 CB ASP A 122 -11.592 9.193 -7.337 1.00 0.34 C ATOM 1993 CG ASP A 122 -11.184 10.593 -7.802 1.00 1.16 C ATOM 1994 OD1 ASP A 122 -11.111 11.476 -6.963 1.00 1.89 O ATOM 1995 OD2 ASP A 122 -10.952 10.758 -8.988 1.00 1.92 O ATOM 0 H ASP A 122 -10.304 9.574 -5.205 1.00 0.28 H new ATOM 0 HA ASP A 122 -13.026 10.080 -6.007 1.00 0.30 H new ATOM 0 HB2 ASP A 122 -10.714 8.550 -7.271 1.00 0.34 H new ATOM 0 HB3 ASP A 122 -12.266 8.739 -8.063 1.00 0.34 H new ATOM 2000 N LYS A 123 -12.219 7.020 -5.090 1.00 0.27 N ATOM 2001 CA LYS A 123 -12.828 5.699 -4.772 1.00 0.27 C ATOM 2002 C LYS A 123 -13.769 5.818 -3.563 1.00 0.26 C ATOM 2003 O LYS A 123 -14.750 5.105 -3.477 1.00 0.28 O ATOM 2004 CB LYS A 123 -11.699 4.680 -4.461 1.00 0.27 C ATOM 2005 CG LYS A 123 -11.442 3.758 -5.664 1.00 0.93 C ATOM 2006 CD LYS A 123 -10.858 4.567 -6.823 1.00 1.10 C ATOM 2007 CE LYS A 123 -10.769 3.679 -8.066 1.00 1.43 C ATOM 2008 NZ LYS A 123 -9.988 4.381 -9.123 1.00 1.95 N ATOM 0 H LYS A 123 -11.235 7.116 -4.841 1.00 0.27 H new ATOM 0 HA LYS A 123 -13.408 5.358 -5.629 1.00 0.27 H new ATOM 0 HB2 LYS A 123 -10.783 5.213 -4.205 1.00 0.27 H new ATOM 0 HB3 LYS A 123 -11.973 4.082 -3.592 1.00 0.27 H new ATOM 0 HG2 LYS A 123 -10.754 2.961 -5.382 1.00 0.93 H new ATOM 0 HG3 LYS A 123 -12.372 3.282 -5.974 1.00 0.93 H new ATOM 0 HD2 LYS A 123 -11.484 5.436 -7.027 1.00 1.10 H new ATOM 0 HD3 LYS A 123 -9.869 4.942 -6.558 1.00 1.10 H new ATOM 0 HE2 LYS A 123 -10.292 2.731 -7.816 1.00 1.43 H new ATOM 0 HE3 LYS A 123 -11.769 3.446 -8.432 1.00 1.43 H new ATOM 0 HZ1 LYS A 123 -9.927 3.778 -9.968 1.00 1.95 H new ATOM 0 HZ2 LYS A 123 -10.461 5.274 -9.368 1.00 1.95 H new ATOM 0 HZ3 LYS A 123 -9.030 4.582 -8.771 1.00 1.95 H new ATOM 2022 N ILE A 124 -13.491 6.685 -2.617 1.00 0.27 N ATOM 2023 CA ILE A 124 -14.404 6.774 -1.436 1.00 0.29 C ATOM 2024 C ILE A 124 -15.655 7.576 -1.825 1.00 0.35 C ATOM 2025 O ILE A 124 -16.741 7.330 -1.339 1.00 0.43 O ATOM 2026 CB ILE A 124 -13.677 7.428 -0.256 1.00 0.29 C ATOM 2027 CG1 ILE A 124 -12.618 6.466 0.284 1.00 0.27 C ATOM 2028 CG2 ILE A 124 -14.674 7.749 0.855 1.00 0.34 C ATOM 2029 CD1 ILE A 124 -11.678 7.213 1.237 1.00 0.30 C ATOM 0 H ILE A 124 -12.692 7.319 -2.611 1.00 0.27 H new ATOM 0 HA ILE A 124 -14.708 5.773 -1.129 1.00 0.29 H new ATOM 0 HB ILE A 124 -13.203 8.349 -0.595 1.00 0.29 H new ATOM 0 HG12 ILE A 124 -13.098 5.638 0.806 1.00 0.27 H new ATOM 0 HG13 ILE A 124 -12.049 6.036 -0.541 1.00 0.27 H new ATOM 0 HG21 ILE A 124 -14.151 8.214 1.691 1.00 0.34 H new ATOM 0 HG22 ILE A 124 -15.433 8.434 0.476 1.00 0.34 H new ATOM 0 HG23 ILE A 124 -15.151 6.829 1.192 1.00 0.34 H new ATOM 0 HD11 ILE A 124 -10.925 6.524 1.620 1.00 0.30 H new ATOM 0 HD12 ILE A 124 -11.187 8.026 0.701 1.00 0.30 H new ATOM 0 HD13 ILE A 124 -12.252 7.621 2.069 1.00 0.30 H new ATOM 2041 N GLN A 125 -15.509 8.515 -2.719 1.00 0.35 N ATOM 2042 CA GLN A 125 -16.668 9.330 -3.187 1.00 0.40 C ATOM 2043 C GLN A 125 -17.404 8.592 -4.314 1.00 0.43 C ATOM 2044 O GLN A 125 -18.615 8.487 -4.313 1.00 0.54 O ATOM 2045 CB GLN A 125 -16.121 10.681 -3.726 1.00 0.53 C ATOM 2046 CG GLN A 125 -16.830 11.856 -3.044 1.00 1.22 C ATOM 2047 CD GLN A 125 -18.332 11.786 -3.334 1.00 1.81 C ATOM 2048 OE1 GLN A 125 -19.129 11.602 -2.435 1.00 2.27 O ATOM 2049 NE2 GLN A 125 -18.754 11.924 -4.561 1.00 2.64 N ATOM 0 H GLN A 125 -14.618 8.757 -3.154 1.00 0.35 H new ATOM 0 HA GLN A 125 -17.364 9.499 -2.365 1.00 0.40 H new ATOM 0 HB2 GLN A 125 -15.047 10.743 -3.548 1.00 0.53 H new ATOM 0 HB3 GLN A 125 -16.268 10.736 -4.805 1.00 0.53 H new ATOM 0 HG2 GLN A 125 -16.655 11.825 -1.969 1.00 1.22 H new ATOM 0 HG3 GLN A 125 -16.423 12.800 -3.406 1.00 1.22 H new ATOM 0 HE21 GLN A 125 -18.086 12.078 -5.316 1.00 2.64 H new ATOM 0 HE22 GLN A 125 -19.752 11.877 -4.765 1.00 2.64 H new