USER MOD reduce.3.24.130724 H: found=0, std=0, add=913, rem=0, adj=30 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 88 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 95 MET CE :methyl 137:sc= -0.247 (180deg=-1.1) USER MOD Set 2.2: A 99 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 38 THR OG1 : rot 180:sc= 0.726 USER MOD Set 3.2: A 41 SER OG : rot 82:sc= 1.1 USER MOD Set 4.1: A 27 GLN : amide:sc= 0.857 K(o=2.7,f=0.92) USER MOD Set 4.2: A 31 SER OG : rot 77:sc= 1.87 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.0858 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -0.228 X(o=-0.23,f=-0.15) USER MOD Single : A 21 GLN : amide:sc= -0.101 X(o=-0.1,f=-0.45) USER MOD Single : A 28 GLN : amide:sc=-0.00912 X(o=-0.0091,f=-0.39) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 GLN :FLIP amide:sc= 0 F(o=-1.4,f=0) USER MOD Single : A 44 ASN : amide:sc= -0.619 K(o=-0.62,f=-4.7!) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot -170:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -0.729! C(o=-0.73!,f=-7.3!) USER MOD Single : A 63 LYS NZ :NH3+ -148:sc= 0 (180deg=-0.0128) USER MOD Single : A 66 THR OG1 : rot 91:sc= 1.18 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -116:sc= -1.09 (180deg=-3.16!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot 75:sc= 0.938 USER MOD Single : A 81 TYR OH : rot 142:sc= 1.26 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 75:sc= 1.17 USER MOD Single : A 87 CYS SG : rot 85:sc= -0.577! USER MOD Single : A 89 LYS NZ :NH3+ -120:sc= 0.00601 (180deg=-0.649) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= -0.279 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 81:sc= 0.151 USER MOD Single : A 112 GLN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 117 LYS NZ :NH3+ -171:sc= 0.0253 (180deg=0.017) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 119 MET CE :methyl 180:sc= -0.224 (180deg=-0.224) USER MOD Single : A 125 GLN : amide:sc= -0.213 K(o=-0.21,f=-2.3!) USER MOD ----------------------------------------------------------------- ATOM 128 N PRO A 8 8.386 6.168 -5.394 1.00 0.67 N ATOM 129 CA PRO A 8 8.163 5.859 -6.820 1.00 0.58 C ATOM 130 C PRO A 8 6.748 6.276 -7.240 1.00 0.52 C ATOM 131 O PRO A 8 5.959 6.737 -6.440 1.00 0.58 O ATOM 132 CB PRO A 8 8.358 4.328 -6.935 1.00 0.62 C ATOM 133 CG PRO A 8 8.753 3.799 -5.527 1.00 0.71 C ATOM 134 CD PRO A 8 8.703 4.992 -4.551 1.00 0.75 C ATOM 0 HA PRO A 8 8.847 6.398 -7.475 1.00 0.58 H new ATOM 0 HB2 PRO A 8 7.442 3.850 -7.281 1.00 0.62 H new ATOM 0 HB3 PRO A 8 9.134 4.094 -7.664 1.00 0.62 H new ATOM 0 HG2 PRO A 8 8.069 3.013 -5.207 1.00 0.71 H new ATOM 0 HG3 PRO A 8 9.752 3.363 -5.548 1.00 0.71 H new ATOM 0 HD2 PRO A 8 7.944 4.841 -3.783 1.00 0.75 H new ATOM 0 HD3 PRO A 8 9.655 5.121 -4.037 1.00 0.75 H new ATOM 142 N THR A 9 6.426 6.098 -8.491 1.00 0.48 N ATOM 143 CA THR A 9 5.066 6.467 -8.973 1.00 0.46 C ATOM 144 C THR A 9 4.085 5.353 -8.595 1.00 0.43 C ATOM 145 O THR A 9 4.460 4.208 -8.439 1.00 0.44 O ATOM 146 CB THR A 9 5.098 6.644 -10.504 1.00 0.47 C ATOM 147 OG1 THR A 9 6.124 5.826 -11.048 1.00 0.72 O ATOM 148 CG2 THR A 9 5.378 8.106 -10.858 1.00 0.73 C ATOM 0 H THR A 9 7.048 5.712 -9.202 1.00 0.48 H new ATOM 0 HA THR A 9 4.747 7.402 -8.513 1.00 0.46 H new ATOM 0 HB THR A 9 4.132 6.355 -10.918 1.00 0.47 H new ATOM 0 HG1 THR A 9 6.147 5.934 -12.022 1.00 0.72 H new ATOM 0 HG21 THR A 9 5.399 8.220 -11.942 1.00 0.73 H new ATOM 0 HG22 THR A 9 4.594 8.738 -10.441 1.00 0.73 H new ATOM 0 HG23 THR A 9 6.341 8.403 -10.443 1.00 0.73 H new ATOM 156 N LEU A 10 2.830 5.682 -8.473 1.00 0.41 N ATOM 157 CA LEU A 10 1.827 4.640 -8.132 1.00 0.40 C ATOM 158 C LEU A 10 1.723 3.673 -9.305 1.00 0.39 C ATOM 159 O LEU A 10 1.469 2.497 -9.139 1.00 0.39 O ATOM 160 CB LEU A 10 0.459 5.282 -7.876 1.00 0.41 C ATOM 161 CG LEU A 10 -0.621 4.193 -7.724 1.00 0.37 C ATOM 162 CD1 LEU A 10 -0.201 3.161 -6.666 1.00 0.41 C ATOM 163 CD2 LEU A 10 -1.932 4.846 -7.288 1.00 0.41 C ATOM 0 H LEU A 10 2.458 6.624 -8.594 1.00 0.41 H new ATOM 0 HA LEU A 10 2.137 4.113 -7.229 1.00 0.40 H new ATOM 0 HB2 LEU A 10 0.499 5.893 -6.974 1.00 0.41 H new ATOM 0 HB3 LEU A 10 0.201 5.947 -8.700 1.00 0.41 H new ATOM 0 HG LEU A 10 -0.748 3.687 -8.681 1.00 0.37 H new ATOM 0 HD11 LEU A 10 -0.976 2.400 -6.572 1.00 0.41 H new ATOM 0 HD12 LEU A 10 0.735 2.691 -6.968 1.00 0.41 H new ATOM 0 HD13 LEU A 10 -0.064 3.659 -5.706 1.00 0.41 H new ATOM 0 HD21 LEU A 10 -2.701 4.081 -7.179 1.00 0.41 H new ATOM 0 HD22 LEU A 10 -1.786 5.353 -6.334 1.00 0.41 H new ATOM 0 HD23 LEU A 10 -2.245 5.570 -8.040 1.00 0.41 H new ATOM 175 N LYS A 11 1.944 4.137 -10.500 1.00 0.42 N ATOM 176 CA LYS A 11 1.872 3.221 -11.663 1.00 0.44 C ATOM 177 C LYS A 11 2.911 2.119 -11.489 1.00 0.43 C ATOM 178 O LYS A 11 2.733 1.006 -11.943 1.00 0.45 O ATOM 179 CB LYS A 11 2.171 4.008 -12.944 1.00 0.49 C ATOM 180 CG LYS A 11 2.110 3.072 -14.153 1.00 0.83 C ATOM 181 CD LYS A 11 2.216 3.894 -15.438 1.00 0.98 C ATOM 182 CE LYS A 11 2.246 2.955 -16.644 1.00 1.64 C ATOM 183 NZ LYS A 11 2.227 3.759 -17.898 1.00 2.31 N ATOM 0 H LYS A 11 2.170 5.107 -10.719 1.00 0.42 H new ATOM 0 HA LYS A 11 0.877 2.782 -11.731 1.00 0.44 H new ATOM 0 HB2 LYS A 11 1.450 4.817 -13.062 1.00 0.49 H new ATOM 0 HB3 LYS A 11 3.157 4.468 -12.878 1.00 0.49 H new ATOM 0 HG2 LYS A 11 2.921 2.345 -14.105 1.00 0.83 H new ATOM 0 HG3 LYS A 11 1.177 2.509 -14.144 1.00 0.83 H new ATOM 0 HD2 LYS A 11 1.370 4.577 -15.516 1.00 0.98 H new ATOM 0 HD3 LYS A 11 3.118 4.506 -15.418 1.00 0.98 H new ATOM 0 HE2 LYS A 11 3.140 2.332 -16.612 1.00 1.64 H new ATOM 0 HE3 LYS A 11 1.388 2.283 -16.617 1.00 1.64 H new ATOM 0 HZ1 LYS A 11 2.247 3.122 -18.719 1.00 2.31 H new ATOM 0 HZ2 LYS A 11 1.362 4.335 -17.928 1.00 2.31 H new ATOM 0 HZ3 LYS A 11 3.059 4.383 -17.923 1.00 2.31 H new ATOM 197 N ASP A 12 4.008 2.422 -10.849 1.00 0.43 N ATOM 198 CA ASP A 12 5.059 1.384 -10.673 1.00 0.45 C ATOM 199 C ASP A 12 4.443 0.158 -9.999 1.00 0.44 C ATOM 200 O ASP A 12 4.930 -0.947 -10.125 1.00 0.46 O ATOM 201 CB ASP A 12 6.190 1.941 -9.806 1.00 0.48 C ATOM 202 CG ASP A 12 7.396 1.003 -9.875 1.00 1.16 C ATOM 203 OD1 ASP A 12 7.230 -0.166 -9.567 1.00 1.88 O ATOM 204 OD2 ASP A 12 8.465 1.468 -10.234 1.00 1.94 O ATOM 0 H ASP A 12 4.219 3.334 -10.445 1.00 0.43 H new ATOM 0 HA ASP A 12 5.464 1.100 -11.645 1.00 0.45 H new ATOM 0 HB2 ASP A 12 6.470 2.936 -10.151 1.00 0.48 H new ATOM 0 HB3 ASP A 12 5.854 2.044 -8.774 1.00 0.48 H new ATOM 209 N ALA A 13 3.372 0.355 -9.267 1.00 0.43 N ATOM 210 CA ALA A 13 2.722 -0.789 -8.568 1.00 0.45 C ATOM 211 C ALA A 13 2.184 -1.783 -9.600 1.00 0.49 C ATOM 212 O ALA A 13 2.116 -2.971 -9.354 1.00 0.57 O ATOM 213 CB ALA A 13 1.567 -0.269 -7.708 1.00 0.44 C ATOM 0 H ALA A 13 2.923 1.260 -9.126 1.00 0.43 H new ATOM 0 HA ALA A 13 3.453 -1.289 -7.933 1.00 0.45 H new ATOM 0 HB1 ALA A 13 1.090 -1.105 -7.196 1.00 0.44 H new ATOM 0 HB2 ALA A 13 1.951 0.437 -6.971 1.00 0.44 H new ATOM 0 HB3 ALA A 13 0.837 0.231 -8.344 1.00 0.44 H new ATOM 219 N TYR A 14 1.801 -1.305 -10.752 1.00 0.54 N ATOM 220 CA TYR A 14 1.266 -2.220 -11.801 1.00 0.60 C ATOM 221 C TYR A 14 2.423 -2.982 -12.449 1.00 0.67 C ATOM 222 O TYR A 14 2.282 -3.543 -13.518 1.00 1.15 O ATOM 223 CB TYR A 14 0.537 -1.399 -12.871 1.00 0.61 C ATOM 224 CG TYR A 14 -0.807 -0.947 -12.345 1.00 0.58 C ATOM 225 CD1 TYR A 14 -0.876 0.085 -11.401 1.00 1.32 C ATOM 226 CD2 TYR A 14 -1.984 -1.555 -12.803 1.00 1.37 C ATOM 227 CE1 TYR A 14 -2.119 0.509 -10.915 1.00 1.33 C ATOM 228 CE2 TYR A 14 -3.227 -1.131 -12.317 1.00 1.41 C ATOM 229 CZ TYR A 14 -3.294 -0.099 -11.373 1.00 0.70 C ATOM 230 OH TYR A 14 -4.519 0.320 -10.895 1.00 0.82 O ATOM 0 H TYR A 14 1.835 -0.320 -11.013 1.00 0.54 H new ATOM 0 HA TYR A 14 0.571 -2.927 -11.347 1.00 0.60 H new ATOM 0 HB2 TYR A 14 1.138 -0.534 -13.150 1.00 0.61 H new ATOM 0 HB3 TYR A 14 0.402 -1.997 -13.772 1.00 0.61 H new ATOM 0 HD1 TYR A 14 0.030 0.554 -11.047 1.00 1.32 H new ATOM 0 HD2 TYR A 14 -1.932 -2.351 -13.531 1.00 1.37 H new ATOM 0 HE1 TYR A 14 -2.171 1.305 -10.187 1.00 1.33 H new ATOM 0 HE2 TYR A 14 -4.134 -1.600 -12.670 1.00 1.41 H new ATOM 0 HH TYR A 14 -5.231 -0.205 -11.316 1.00 0.82 H new ATOM 240 N GLU A 15 3.568 -3.003 -11.811 1.00 0.57 N ATOM 241 CA GLU A 15 4.751 -3.724 -12.380 1.00 0.60 C ATOM 242 C GLU A 15 5.060 -4.960 -11.506 1.00 0.53 C ATOM 243 O GLU A 15 5.672 -4.818 -10.466 1.00 0.57 O ATOM 244 CB GLU A 15 5.962 -2.778 -12.367 1.00 0.68 C ATOM 245 CG GLU A 15 7.020 -3.261 -13.369 1.00 0.89 C ATOM 246 CD GLU A 15 7.587 -4.607 -12.914 1.00 1.59 C ATOM 247 OE1 GLU A 15 8.167 -4.652 -11.842 1.00 2.32 O ATOM 248 OE2 GLU A 15 7.434 -5.571 -13.647 1.00 2.12 O ATOM 0 H GLU A 15 3.735 -2.548 -10.914 1.00 0.57 H new ATOM 0 HA GLU A 15 4.539 -4.042 -13.401 1.00 0.60 H new ATOM 0 HB2 GLU A 15 5.645 -1.766 -12.620 1.00 0.68 H new ATOM 0 HB3 GLU A 15 6.390 -2.737 -11.366 1.00 0.68 H new ATOM 0 HG2 GLU A 15 6.578 -3.359 -14.360 1.00 0.89 H new ATOM 0 HG3 GLU A 15 7.821 -2.526 -13.448 1.00 0.89 H new ATOM 255 N PRO A 16 4.633 -6.137 -11.925 1.00 0.51 N ATOM 256 CA PRO A 16 4.882 -7.357 -11.142 1.00 0.48 C ATOM 257 C PRO A 16 6.390 -7.599 -10.965 1.00 0.51 C ATOM 258 O PRO A 16 7.221 -6.774 -11.285 1.00 0.76 O ATOM 259 CB PRO A 16 4.224 -8.502 -11.951 1.00 0.53 C ATOM 260 CG PRO A 16 3.564 -7.868 -13.205 1.00 0.64 C ATOM 261 CD PRO A 16 3.885 -6.360 -13.185 1.00 0.60 C ATOM 0 HA PRO A 16 4.468 -7.285 -10.136 1.00 0.48 H new ATOM 0 HB2 PRO A 16 4.969 -9.242 -12.243 1.00 0.53 H new ATOM 0 HB3 PRO A 16 3.479 -9.020 -11.346 1.00 0.53 H new ATOM 0 HG2 PRO A 16 3.948 -8.330 -14.115 1.00 0.64 H new ATOM 0 HG3 PRO A 16 2.486 -8.031 -13.195 1.00 0.64 H new ATOM 0 HD2 PRO A 16 4.480 -6.073 -14.052 1.00 0.60 H new ATOM 0 HD3 PRO A 16 2.973 -5.763 -13.212 1.00 0.60 H new ATOM 269 N LEU A 17 6.712 -8.734 -10.423 1.00 0.63 N ATOM 270 CA LEU A 17 8.122 -9.124 -10.148 1.00 0.74 C ATOM 271 C LEU A 17 8.318 -10.598 -10.501 1.00 0.79 C ATOM 272 O LEU A 17 7.384 -11.375 -10.530 1.00 1.03 O ATOM 273 CB LEU A 17 8.399 -8.920 -8.647 1.00 0.79 C ATOM 274 CG LEU A 17 8.556 -7.414 -8.339 1.00 1.26 C ATOM 275 CD1 LEU A 17 8.777 -7.229 -6.835 1.00 1.12 C ATOM 276 CD2 LEU A 17 9.757 -6.815 -9.108 1.00 2.28 C ATOM 0 H LEU A 17 6.028 -9.438 -10.147 1.00 0.63 H new ATOM 0 HA LEU A 17 8.803 -8.516 -10.744 1.00 0.74 H new ATOM 0 HB2 LEU A 17 7.582 -9.337 -8.058 1.00 0.79 H new ATOM 0 HB3 LEU A 17 9.304 -9.455 -8.360 1.00 0.79 H new ATOM 0 HG LEU A 17 7.650 -6.898 -8.655 1.00 1.26 H new ATOM 0 HD11 LEU A 17 8.889 -6.168 -6.611 1.00 1.12 H new ATOM 0 HD12 LEU A 17 7.921 -7.627 -6.290 1.00 1.12 H new ATOM 0 HD13 LEU A 17 9.679 -7.760 -6.532 1.00 1.12 H new ATOM 0 HD21 LEU A 17 9.846 -5.754 -8.874 1.00 2.28 H new ATOM 0 HD22 LEU A 17 10.671 -7.330 -8.813 1.00 2.28 H new ATOM 0 HD23 LEU A 17 9.601 -6.939 -10.180 1.00 2.28 H new ATOM 288 N TYR A 18 9.538 -10.984 -10.778 1.00 0.78 N ATOM 289 CA TYR A 18 9.831 -12.406 -11.144 1.00 0.88 C ATOM 290 C TYR A 18 10.158 -13.186 -9.854 1.00 0.76 C ATOM 291 O TYR A 18 10.441 -12.577 -8.841 1.00 0.63 O ATOM 292 CB TYR A 18 11.036 -12.432 -12.113 1.00 1.09 C ATOM 293 CG TYR A 18 11.105 -11.134 -12.885 1.00 0.78 C ATOM 294 CD1 TYR A 18 9.965 -10.651 -13.540 1.00 1.41 C ATOM 295 CD2 TYR A 18 12.308 -10.421 -12.956 1.00 1.46 C ATOM 296 CE1 TYR A 18 10.029 -9.456 -14.264 1.00 1.67 C ATOM 297 CE2 TYR A 18 12.371 -9.226 -13.678 1.00 1.64 C ATOM 298 CZ TYR A 18 11.231 -8.742 -14.333 1.00 1.40 C ATOM 299 OH TYR A 18 11.294 -7.563 -15.046 1.00 1.95 O ATOM 0 H TYR A 18 10.352 -10.370 -10.766 1.00 0.78 H new ATOM 0 HA TYR A 18 8.973 -12.867 -11.634 1.00 0.88 H new ATOM 0 HB2 TYR A 18 11.960 -12.582 -11.554 1.00 1.09 H new ATOM 0 HB3 TYR A 18 10.941 -13.271 -12.803 1.00 1.09 H new ATOM 0 HD1 TYR A 18 9.037 -11.201 -13.486 1.00 1.41 H new ATOM 0 HD2 TYR A 18 13.187 -10.795 -12.453 1.00 1.46 H new ATOM 0 HE1 TYR A 18 9.150 -9.084 -14.770 1.00 1.67 H new ATOM 0 HE2 TYR A 18 13.299 -8.676 -13.731 1.00 1.64 H new ATOM 0 HH TYR A 18 12.201 -7.195 -14.991 1.00 1.95 H new ATOM 309 N PRO A 19 10.115 -14.505 -9.906 1.00 0.88 N ATOM 310 CA PRO A 19 10.413 -15.323 -8.714 1.00 0.87 C ATOM 311 C PRO A 19 11.839 -15.045 -8.212 1.00 0.80 C ATOM 312 O PRO A 19 12.153 -15.286 -7.063 1.00 0.77 O ATOM 313 CB PRO A 19 10.264 -16.790 -9.184 1.00 1.11 C ATOM 314 CG PRO A 19 9.857 -16.762 -10.684 1.00 1.24 C ATOM 315 CD PRO A 19 9.773 -15.284 -11.119 1.00 1.09 C ATOM 0 HA PRO A 19 9.746 -15.097 -7.882 1.00 0.87 H new ATOM 0 HB2 PRO A 19 11.200 -17.332 -9.051 1.00 1.11 H new ATOM 0 HB3 PRO A 19 9.509 -17.307 -8.592 1.00 1.11 H new ATOM 0 HG2 PRO A 19 10.588 -17.298 -11.289 1.00 1.24 H new ATOM 0 HG3 PRO A 19 8.898 -17.259 -10.829 1.00 1.24 H new ATOM 0 HD2 PRO A 19 10.467 -15.072 -11.932 1.00 1.09 H new ATOM 0 HD3 PRO A 19 8.775 -15.035 -11.479 1.00 1.09 H new ATOM 323 N GLN A 20 12.711 -14.560 -9.061 1.00 0.80 N ATOM 324 CA GLN A 20 14.113 -14.296 -8.608 1.00 0.77 C ATOM 325 C GLN A 20 14.195 -12.910 -7.960 1.00 0.68 C ATOM 326 O GLN A 20 14.790 -12.741 -6.914 1.00 0.67 O ATOM 327 CB GLN A 20 15.067 -14.358 -9.805 1.00 0.85 C ATOM 328 CG GLN A 20 15.210 -15.805 -10.283 1.00 1.41 C ATOM 329 CD GLN A 20 16.050 -16.598 -9.280 1.00 1.86 C ATOM 330 OE1 GLN A 20 17.262 -16.503 -9.276 1.00 2.60 O ATOM 331 NE2 GLN A 20 15.455 -17.385 -8.426 1.00 2.30 N ATOM 0 H GLN A 20 12.517 -14.337 -10.037 1.00 0.80 H new ATOM 0 HA GLN A 20 14.400 -15.054 -7.879 1.00 0.77 H new ATOM 0 HB2 GLN A 20 14.689 -13.734 -10.615 1.00 0.85 H new ATOM 0 HB3 GLN A 20 16.042 -13.960 -9.525 1.00 0.85 H new ATOM 0 HG2 GLN A 20 14.226 -16.262 -10.390 1.00 1.41 H new ATOM 0 HG3 GLN A 20 15.681 -15.829 -11.266 1.00 1.41 H new ATOM 0 HE21 GLN A 20 14.438 -17.465 -8.429 1.00 2.30 H new ATOM 0 HE22 GLN A 20 16.007 -17.920 -7.755 1.00 2.30 H new ATOM 340 N GLN A 21 13.611 -11.918 -8.572 1.00 0.64 N ATOM 341 CA GLN A 21 13.667 -10.546 -7.989 1.00 0.59 C ATOM 342 C GLN A 21 13.095 -10.567 -6.567 1.00 0.50 C ATOM 343 O GLN A 21 13.654 -9.989 -5.656 1.00 0.47 O ATOM 344 CB GLN A 21 12.846 -9.586 -8.865 1.00 0.64 C ATOM 345 CG GLN A 21 13.688 -9.122 -10.060 1.00 1.02 C ATOM 346 CD GLN A 21 14.711 -8.084 -9.594 1.00 1.57 C ATOM 347 OE1 GLN A 21 14.365 -7.129 -8.926 1.00 2.34 O ATOM 348 NE2 GLN A 21 15.967 -8.230 -9.920 1.00 1.94 N ATOM 0 H GLN A 21 13.098 -11.996 -9.450 1.00 0.64 H new ATOM 0 HA GLN A 21 14.702 -10.207 -7.953 1.00 0.59 H new ATOM 0 HB2 GLN A 21 11.942 -10.084 -9.217 1.00 0.64 H new ATOM 0 HB3 GLN A 21 12.528 -8.725 -8.277 1.00 0.64 H new ATOM 0 HG2 GLN A 21 14.198 -9.973 -10.511 1.00 1.02 H new ATOM 0 HG3 GLN A 21 13.044 -8.693 -10.827 1.00 1.02 H new ATOM 0 HE21 GLN A 21 16.259 -9.031 -10.480 1.00 1.94 H new ATOM 0 HE22 GLN A 21 16.656 -7.543 -9.614 1.00 1.94 H new ATOM 357 N LEU A 22 11.986 -11.223 -6.369 1.00 0.52 N ATOM 358 CA LEU A 22 11.386 -11.270 -5.009 1.00 0.46 C ATOM 359 C LEU A 22 12.238 -12.160 -4.102 1.00 0.42 C ATOM 360 O LEU A 22 12.385 -11.899 -2.923 1.00 0.40 O ATOM 361 CB LEU A 22 9.967 -11.839 -5.109 1.00 0.52 C ATOM 362 CG LEU A 22 9.271 -11.798 -3.740 1.00 0.59 C ATOM 363 CD1 LEU A 22 9.049 -10.343 -3.289 1.00 0.52 C ATOM 364 CD2 LEU A 22 7.921 -12.512 -3.857 1.00 0.93 C ATOM 0 H LEU A 22 11.470 -11.728 -7.090 1.00 0.52 H new ATOM 0 HA LEU A 22 11.349 -10.266 -4.587 1.00 0.46 H new ATOM 0 HB2 LEU A 22 9.390 -11.265 -5.834 1.00 0.52 H new ATOM 0 HB3 LEU A 22 10.006 -12.866 -5.473 1.00 0.52 H new ATOM 0 HG LEU A 22 9.899 -12.294 -3.000 1.00 0.59 H new ATOM 0 HD11 LEU A 22 8.555 -10.335 -2.317 1.00 0.52 H new ATOM 0 HD12 LEU A 22 10.010 -9.835 -3.212 1.00 0.52 H new ATOM 0 HD13 LEU A 22 8.424 -9.827 -4.018 1.00 0.52 H new ATOM 0 HD21 LEU A 22 7.414 -12.492 -2.892 1.00 0.93 H new ATOM 0 HD22 LEU A 22 7.306 -12.007 -4.601 1.00 0.93 H new ATOM 0 HD23 LEU A 22 8.082 -13.546 -4.161 1.00 0.93 H new ATOM 376 N GLU A 23 12.797 -13.215 -4.633 1.00 0.44 N ATOM 377 CA GLU A 23 13.625 -14.113 -3.781 1.00 0.42 C ATOM 378 C GLU A 23 14.944 -13.414 -3.443 1.00 0.38 C ATOM 379 O GLU A 23 15.534 -13.646 -2.406 1.00 0.37 O ATOM 380 CB GLU A 23 13.898 -15.422 -4.527 1.00 0.47 C ATOM 381 CG GLU A 23 14.607 -16.410 -3.600 1.00 1.13 C ATOM 382 CD GLU A 23 14.791 -17.745 -4.325 1.00 1.66 C ATOM 383 OE1 GLU A 23 15.173 -17.720 -5.483 1.00 2.30 O ATOM 384 OE2 GLU A 23 14.546 -18.769 -3.709 1.00 2.28 O ATOM 0 H GLU A 23 12.716 -13.491 -5.612 1.00 0.44 H new ATOM 0 HA GLU A 23 13.092 -14.339 -2.857 1.00 0.42 H new ATOM 0 HB2 GLU A 23 12.961 -15.851 -4.882 1.00 0.47 H new ATOM 0 HB3 GLU A 23 14.513 -15.229 -5.406 1.00 0.47 H new ATOM 0 HG2 GLU A 23 15.575 -16.011 -3.298 1.00 1.13 H new ATOM 0 HG3 GLU A 23 14.024 -16.555 -2.690 1.00 1.13 H new ATOM 391 N ILE A 24 15.408 -12.554 -4.309 1.00 0.39 N ATOM 392 CA ILE A 24 16.681 -11.833 -4.040 1.00 0.39 C ATOM 393 C ILE A 24 16.493 -10.941 -2.804 1.00 0.36 C ATOM 394 O ILE A 24 17.273 -10.984 -1.873 1.00 0.37 O ATOM 395 CB ILE A 24 17.034 -10.984 -5.280 1.00 0.44 C ATOM 396 CG1 ILE A 24 17.721 -11.874 -6.335 1.00 0.52 C ATOM 397 CG2 ILE A 24 17.973 -9.832 -4.897 1.00 0.48 C ATOM 398 CD1 ILE A 24 17.652 -11.208 -7.716 1.00 0.89 C ATOM 0 H ILE A 24 14.957 -12.320 -5.194 1.00 0.39 H new ATOM 0 HA ILE A 24 17.493 -12.533 -3.846 1.00 0.39 H new ATOM 0 HB ILE A 24 16.114 -10.566 -5.689 1.00 0.44 H new ATOM 0 HG12 ILE A 24 18.761 -12.044 -6.057 1.00 0.52 H new ATOM 0 HG13 ILE A 24 17.237 -12.850 -6.369 1.00 0.52 H new ATOM 0 HG21 ILE A 24 18.210 -9.245 -5.785 1.00 0.48 H new ATOM 0 HG22 ILE A 24 17.485 -9.194 -4.160 1.00 0.48 H new ATOM 0 HG23 ILE A 24 18.892 -10.237 -4.474 1.00 0.48 H new ATOM 0 HD11 ILE A 24 18.140 -11.846 -8.452 1.00 0.89 H new ATOM 0 HD12 ILE A 24 16.609 -11.061 -7.998 1.00 0.89 H new ATOM 0 HD13 ILE A 24 18.157 -10.243 -7.680 1.00 0.89 H new ATOM 410 N LEU A 25 15.468 -10.135 -2.792 1.00 0.34 N ATOM 411 CA LEU A 25 15.236 -9.245 -1.619 1.00 0.34 C ATOM 412 C LEU A 25 15.086 -10.101 -0.357 1.00 0.32 C ATOM 413 O LEU A 25 15.387 -9.669 0.737 1.00 0.34 O ATOM 414 CB LEU A 25 13.961 -8.422 -1.838 1.00 0.36 C ATOM 415 CG LEU A 25 14.154 -7.441 -3.009 1.00 0.38 C ATOM 416 CD1 LEU A 25 12.786 -6.941 -3.485 1.00 0.44 C ATOM 417 CD2 LEU A 25 15.003 -6.237 -2.568 1.00 0.41 C ATOM 0 H LEU A 25 14.782 -10.054 -3.542 1.00 0.34 H new ATOM 0 HA LEU A 25 16.082 -8.568 -1.503 1.00 0.34 H new ATOM 0 HB2 LEU A 25 13.122 -9.086 -2.045 1.00 0.36 H new ATOM 0 HB3 LEU A 25 13.715 -7.871 -0.930 1.00 0.36 H new ATOM 0 HG LEU A 25 14.666 -7.960 -3.819 1.00 0.38 H new ATOM 0 HD11 LEU A 25 12.921 -6.246 -4.314 1.00 0.44 H new ATOM 0 HD12 LEU A 25 12.184 -7.788 -3.815 1.00 0.44 H new ATOM 0 HD13 LEU A 25 12.279 -6.433 -2.665 1.00 0.44 H new ATOM 0 HD21 LEU A 25 15.129 -5.554 -3.408 1.00 0.41 H new ATOM 0 HD22 LEU A 25 14.502 -5.718 -1.751 1.00 0.41 H new ATOM 0 HD23 LEU A 25 15.980 -6.584 -2.232 1.00 0.41 H new ATOM 429 N ARG A 26 14.624 -11.313 -0.506 1.00 0.31 N ATOM 430 CA ARG A 26 14.454 -12.206 0.674 1.00 0.33 C ATOM 431 C ARG A 26 15.817 -12.764 1.085 1.00 0.31 C ATOM 432 O ARG A 26 16.101 -12.941 2.254 1.00 0.32 O ATOM 433 CB ARG A 26 13.519 -13.362 0.311 1.00 0.38 C ATOM 434 CG ARG A 26 13.201 -14.175 1.568 1.00 0.69 C ATOM 435 CD ARG A 26 12.084 -15.174 1.261 1.00 1.00 C ATOM 436 NE ARG A 26 12.537 -16.107 0.191 1.00 1.36 N ATOM 437 CZ ARG A 26 11.883 -17.213 -0.033 1.00 1.86 C ATOM 438 NH1 ARG A 26 10.827 -17.503 0.677 1.00 2.36 N ATOM 439 NH2 ARG A 26 12.284 -18.030 -0.968 1.00 2.46 N ATOM 0 H ARG A 26 14.356 -11.724 -1.400 1.00 0.31 H new ATOM 0 HA ARG A 26 14.025 -11.640 1.501 1.00 0.33 H new ATOM 0 HB2 ARG A 26 12.599 -12.976 -0.128 1.00 0.38 H new ATOM 0 HB3 ARG A 26 13.986 -14.000 -0.439 1.00 0.38 H new ATOM 0 HG2 ARG A 26 14.092 -14.703 1.908 1.00 0.69 H new ATOM 0 HG3 ARG A 26 12.897 -13.510 2.377 1.00 0.69 H new ATOM 0 HD2 ARG A 26 11.823 -15.733 2.160 1.00 1.00 H new ATOM 0 HD3 ARG A 26 11.186 -14.646 0.942 1.00 1.00 H new ATOM 0 HE ARG A 26 13.360 -15.880 -0.367 1.00 1.36 H new ATOM 0 HH11 ARG A 26 10.513 -16.864 1.408 1.00 2.36 H new ATOM 0 HH12 ARG A 26 10.316 -18.368 0.501 1.00 2.36 H new ATOM 0 HH21 ARG A 26 13.109 -17.804 -1.524 1.00 2.46 H new ATOM 0 HH22 ARG A 26 11.773 -18.895 -1.143 1.00 2.46 H new ATOM 453 N GLN A 27 16.676 -13.010 0.135 1.00 0.31 N ATOM 454 CA GLN A 27 18.037 -13.521 0.461 1.00 0.32 C ATOM 455 C GLN A 27 18.732 -12.526 1.388 1.00 0.31 C ATOM 456 O GLN A 27 19.352 -12.894 2.366 1.00 0.33 O ATOM 457 CB GLN A 27 18.841 -13.630 -0.842 1.00 0.33 C ATOM 458 CG GLN A 27 20.215 -14.257 -0.565 1.00 0.99 C ATOM 459 CD GLN A 27 20.045 -15.720 -0.147 1.00 1.48 C ATOM 460 OE1 GLN A 27 19.432 -16.498 -0.850 1.00 2.02 O ATOM 461 NE2 GLN A 27 20.570 -16.129 0.977 1.00 2.23 N ATOM 0 H GLN A 27 16.492 -12.878 -0.860 1.00 0.31 H new ATOM 0 HA GLN A 27 17.968 -14.494 0.947 1.00 0.32 H new ATOM 0 HB2 GLN A 27 18.295 -14.236 -1.565 1.00 0.33 H new ATOM 0 HB3 GLN A 27 18.966 -12.642 -1.285 1.00 0.33 H new ATOM 0 HG2 GLN A 27 20.839 -14.194 -1.456 1.00 0.99 H new ATOM 0 HG3 GLN A 27 20.726 -13.702 0.222 1.00 0.99 H new ATOM 0 HE21 GLN A 27 21.085 -15.475 1.567 1.00 2.23 H new ATOM 0 HE22 GLN A 27 20.465 -17.102 1.265 1.00 2.23 H new ATOM 470 N GLN A 28 18.632 -11.262 1.078 1.00 0.30 N ATOM 471 CA GLN A 28 19.282 -10.227 1.926 1.00 0.31 C ATOM 472 C GLN A 28 18.604 -10.197 3.295 1.00 0.30 C ATOM 473 O GLN A 28 19.234 -9.957 4.306 1.00 0.34 O ATOM 474 CB GLN A 28 19.139 -8.860 1.254 1.00 0.33 C ATOM 475 CG GLN A 28 20.023 -7.839 1.973 1.00 1.10 C ATOM 476 CD GLN A 28 19.703 -6.434 1.460 1.00 1.61 C ATOM 477 OE1 GLN A 28 18.553 -6.052 1.378 1.00 2.28 O ATOM 478 NE2 GLN A 28 20.680 -5.644 1.108 1.00 2.28 N ATOM 0 H GLN A 28 18.125 -10.902 0.269 1.00 0.30 H new ATOM 0 HA GLN A 28 20.339 -10.463 2.049 1.00 0.31 H new ATOM 0 HB2 GLN A 28 19.425 -8.928 0.204 1.00 0.33 H new ATOM 0 HB3 GLN A 28 18.098 -8.538 1.281 1.00 0.33 H new ATOM 0 HG2 GLN A 28 19.856 -7.891 3.049 1.00 1.10 H new ATOM 0 HG3 GLN A 28 21.075 -8.069 1.802 1.00 1.10 H new ATOM 0 HE21 GLN A 28 21.646 -5.965 1.177 1.00 2.28 H new ATOM 0 HE22 GLN A 28 20.478 -4.705 0.764 1.00 2.28 H new ATOM 487 N VAL A 29 17.323 -10.447 3.336 1.00 0.27 N ATOM 488 CA VAL A 29 16.614 -10.436 4.646 1.00 0.28 C ATOM 489 C VAL A 29 16.992 -11.700 5.427 1.00 0.30 C ATOM 490 O VAL A 29 17.360 -11.641 6.584 1.00 0.33 O ATOM 491 CB VAL A 29 15.098 -10.389 4.404 1.00 0.27 C ATOM 492 CG1 VAL A 29 14.333 -10.802 5.672 1.00 0.30 C ATOM 493 CG2 VAL A 29 14.695 -8.965 4.008 1.00 0.27 C ATOM 0 H VAL A 29 16.741 -10.657 2.525 1.00 0.27 H new ATOM 0 HA VAL A 29 16.904 -9.558 5.224 1.00 0.28 H new ATOM 0 HB VAL A 29 14.848 -11.086 3.604 1.00 0.27 H new ATOM 0 HG11 VAL A 29 13.261 -10.762 5.479 1.00 0.30 H new ATOM 0 HG12 VAL A 29 14.614 -11.817 5.952 1.00 0.30 H new ATOM 0 HG13 VAL A 29 14.581 -10.120 6.485 1.00 0.30 H new ATOM 0 HG21 VAL A 29 13.620 -8.926 3.835 1.00 0.27 H new ATOM 0 HG22 VAL A 29 14.959 -8.276 4.810 1.00 0.27 H new ATOM 0 HG23 VAL A 29 15.220 -8.679 3.097 1.00 0.27 H new ATOM 503 N VAL A 30 16.890 -12.841 4.808 1.00 0.31 N ATOM 504 CA VAL A 30 17.227 -14.107 5.513 1.00 0.35 C ATOM 505 C VAL A 30 18.734 -14.192 5.758 1.00 0.37 C ATOM 506 O VAL A 30 19.176 -14.647 6.794 1.00 0.42 O ATOM 507 CB VAL A 30 16.800 -15.286 4.642 1.00 0.35 C ATOM 508 CG1 VAL A 30 17.125 -16.599 5.352 1.00 0.40 C ATOM 509 CG2 VAL A 30 15.298 -15.203 4.382 1.00 0.35 C ATOM 0 H VAL A 30 16.587 -12.952 3.840 1.00 0.31 H new ATOM 0 HA VAL A 30 16.708 -14.132 6.471 1.00 0.35 H new ATOM 0 HB VAL A 30 17.338 -15.250 3.695 1.00 0.35 H new ATOM 0 HG11 VAL A 30 16.818 -17.437 4.726 1.00 0.40 H new ATOM 0 HG12 VAL A 30 18.198 -16.657 5.536 1.00 0.40 H new ATOM 0 HG13 VAL A 30 16.591 -16.641 6.301 1.00 0.40 H new ATOM 0 HG21 VAL A 30 14.989 -16.043 3.760 1.00 0.35 H new ATOM 0 HG22 VAL A 30 14.762 -15.237 5.331 1.00 0.35 H new ATOM 0 HG23 VAL A 30 15.069 -14.269 3.869 1.00 0.35 H new ATOM 519 N SER A 31 19.528 -13.785 4.807 1.00 0.36 N ATOM 520 CA SER A 31 21.004 -13.882 4.997 1.00 0.39 C ATOM 521 C SER A 31 21.403 -13.160 6.287 1.00 0.42 C ATOM 522 O SER A 31 22.335 -13.550 6.960 1.00 0.47 O ATOM 523 CB SER A 31 21.732 -13.264 3.802 1.00 0.38 C ATOM 524 OG SER A 31 21.532 -14.079 2.655 1.00 1.36 O ATOM 0 H SER A 31 19.224 -13.393 3.915 1.00 0.36 H new ATOM 0 HA SER A 31 21.287 -14.932 5.071 1.00 0.39 H new ATOM 0 HB2 SER A 31 21.359 -12.257 3.616 1.00 0.38 H new ATOM 0 HB3 SER A 31 22.797 -13.175 4.017 1.00 0.38 H new ATOM 0 HG SER A 31 20.632 -13.927 2.299 1.00 1.36 H new ATOM 530 N GLU A 32 20.712 -12.107 6.637 1.00 0.42 N ATOM 531 CA GLU A 32 21.064 -11.369 7.883 1.00 0.47 C ATOM 532 C GLU A 32 20.433 -12.064 9.092 1.00 0.49 C ATOM 533 O GLU A 32 20.742 -11.749 10.225 1.00 0.54 O ATOM 534 CB GLU A 32 20.546 -9.935 7.796 1.00 0.48 C ATOM 535 CG GLU A 32 21.282 -9.187 6.682 1.00 0.79 C ATOM 536 CD GLU A 32 22.721 -8.906 7.120 1.00 1.50 C ATOM 537 OE1 GLU A 32 22.907 -8.513 8.259 1.00 2.22 O ATOM 538 OE2 GLU A 32 23.613 -9.089 6.307 1.00 2.23 O ATOM 0 H GLU A 32 19.922 -11.728 6.115 1.00 0.42 H new ATOM 0 HA GLU A 32 22.148 -11.358 7.996 1.00 0.47 H new ATOM 0 HB2 GLU A 32 19.474 -9.937 7.599 1.00 0.48 H new ATOM 0 HB3 GLU A 32 20.694 -9.426 8.748 1.00 0.48 H new ATOM 0 HG2 GLU A 32 21.278 -9.780 5.767 1.00 0.79 H new ATOM 0 HG3 GLU A 32 20.770 -8.251 6.458 1.00 0.79 H new ATOM 545 N GLY A 33 19.553 -13.009 8.861 1.00 0.47 N ATOM 546 CA GLY A 33 18.894 -13.739 9.994 1.00 0.50 C ATOM 547 C GLY A 33 17.373 -13.651 9.845 1.00 0.50 C ATOM 548 O GLY A 33 16.634 -14.323 10.534 1.00 0.66 O ATOM 0 H GLY A 33 19.260 -13.309 7.931 1.00 0.47 H new ATOM 0 HA2 GLY A 33 19.209 -14.782 10.000 1.00 0.50 H new ATOM 0 HA3 GLY A 33 19.202 -13.307 10.946 1.00 0.50 H new ATOM 552 N GLY A 34 16.904 -12.823 8.946 1.00 0.43 N ATOM 553 CA GLY A 34 15.431 -12.680 8.741 1.00 0.43 C ATOM 554 C GLY A 34 14.917 -11.447 9.521 1.00 0.43 C ATOM 555 O GLY A 34 15.250 -10.337 9.154 1.00 0.41 O ATOM 0 H GLY A 34 17.481 -12.237 8.343 1.00 0.43 H new ATOM 0 HA2 GLY A 34 15.210 -12.570 7.679 1.00 0.43 H new ATOM 0 HA3 GLY A 34 14.917 -13.579 9.082 1.00 0.43 H new ATOM 559 N PRO A 35 14.129 -11.642 10.570 1.00 0.47 N ATOM 560 CA PRO A 35 13.609 -10.501 11.352 1.00 0.51 C ATOM 561 C PRO A 35 14.763 -9.655 11.904 1.00 0.52 C ATOM 562 O PRO A 35 14.678 -8.445 11.980 1.00 0.64 O ATOM 563 CB PRO A 35 12.800 -11.143 12.507 1.00 0.57 C ATOM 564 CG PRO A 35 12.849 -12.684 12.316 1.00 0.58 C ATOM 565 CD PRO A 35 13.696 -12.971 11.061 1.00 0.52 C ATOM 0 HA PRO A 35 12.997 -9.833 10.746 1.00 0.51 H new ATOM 0 HB2 PRO A 35 13.223 -10.863 13.472 1.00 0.57 H new ATOM 0 HB3 PRO A 35 11.769 -10.788 12.496 1.00 0.57 H new ATOM 0 HG2 PRO A 35 13.286 -13.165 13.191 1.00 0.58 H new ATOM 0 HG3 PRO A 35 11.843 -13.088 12.200 1.00 0.58 H new ATOM 0 HD2 PRO A 35 14.553 -13.600 11.300 1.00 0.52 H new ATOM 0 HD3 PRO A 35 13.114 -13.499 10.306 1.00 0.52 H new ATOM 573 N THR A 36 15.835 -10.285 12.305 1.00 0.50 N ATOM 574 CA THR A 36 16.981 -9.517 12.867 1.00 0.50 C ATOM 575 C THR A 36 17.703 -8.766 11.747 1.00 0.48 C ATOM 576 O THR A 36 18.749 -8.183 11.955 1.00 0.48 O ATOM 577 CB THR A 36 17.954 -10.480 13.556 1.00 0.51 C ATOM 578 OG1 THR A 36 18.422 -11.432 12.609 1.00 0.69 O ATOM 579 CG2 THR A 36 17.239 -11.205 14.697 1.00 0.80 C ATOM 0 H THR A 36 15.965 -11.296 12.267 1.00 0.50 H new ATOM 0 HA THR A 36 16.609 -8.797 13.595 1.00 0.50 H new ATOM 0 HB THR A 36 18.797 -9.918 13.959 1.00 0.51 H new ATOM 0 HG1 THR A 36 19.046 -12.049 13.046 1.00 0.69 H new ATOM 0 HG21 THR A 36 17.933 -11.889 15.185 1.00 0.80 H new ATOM 0 HG22 THR A 36 16.878 -10.476 15.422 1.00 0.80 H new ATOM 0 HG23 THR A 36 16.395 -11.768 14.298 1.00 0.80 H new ATOM 587 N ALA A 37 17.155 -8.768 10.564 1.00 0.48 N ATOM 588 CA ALA A 37 17.816 -8.043 9.444 1.00 0.48 C ATOM 589 C ALA A 37 17.680 -6.535 9.667 1.00 0.55 C ATOM 590 O ALA A 37 16.792 -6.078 10.359 1.00 1.10 O ATOM 591 CB ALA A 37 17.158 -8.429 8.119 1.00 0.42 C ATOM 0 H ALA A 37 16.282 -9.238 10.325 1.00 0.48 H new ATOM 0 HA ALA A 37 18.872 -8.313 9.410 1.00 0.48 H new ATOM 0 HB1 ALA A 37 17.645 -7.896 7.302 1.00 0.42 H new ATOM 0 HB2 ALA A 37 17.258 -9.503 7.962 1.00 0.42 H new ATOM 0 HB3 ALA A 37 16.101 -8.163 8.147 1.00 0.42 H new ATOM 597 N THR A 38 18.555 -5.759 9.089 1.00 0.45 N ATOM 598 CA THR A 38 18.476 -4.281 9.270 1.00 0.46 C ATOM 599 C THR A 38 17.076 -3.794 8.890 1.00 0.40 C ATOM 600 O THR A 38 16.258 -4.545 8.395 1.00 0.36 O ATOM 601 CB THR A 38 19.522 -3.602 8.375 1.00 0.48 C ATOM 602 OG1 THR A 38 19.533 -4.233 7.103 1.00 0.66 O ATOM 603 CG2 THR A 38 20.907 -3.722 9.015 1.00 0.66 C ATOM 0 H THR A 38 19.321 -6.084 8.499 1.00 0.45 H new ATOM 0 HA THR A 38 18.673 -4.029 10.312 1.00 0.46 H new ATOM 0 HB THR A 38 19.269 -2.548 8.260 1.00 0.48 H new ATOM 0 HG1 THR A 38 20.199 -3.800 6.529 1.00 0.66 H new ATOM 0 HG21 THR A 38 21.646 -3.239 8.376 1.00 0.66 H new ATOM 0 HG22 THR A 38 20.900 -3.238 9.992 1.00 0.66 H new ATOM 0 HG23 THR A 38 21.163 -4.775 9.134 1.00 0.66 H new ATOM 611 N ILE A 39 16.794 -2.540 9.115 1.00 0.47 N ATOM 612 CA ILE A 39 15.450 -1.995 8.767 1.00 0.45 C ATOM 613 C ILE A 39 15.318 -1.900 7.245 1.00 0.40 C ATOM 614 O ILE A 39 14.322 -2.292 6.670 1.00 0.38 O ATOM 615 CB ILE A 39 15.313 -0.593 9.381 1.00 0.55 C ATOM 616 CG1 ILE A 39 15.280 -0.696 10.926 1.00 0.73 C ATOM 617 CG2 ILE A 39 14.036 0.084 8.859 1.00 0.53 C ATOM 618 CD1 ILE A 39 13.843 -0.882 11.428 1.00 0.73 C ATOM 0 H ILE A 39 17.439 -1.866 9.527 1.00 0.47 H new ATOM 0 HA ILE A 39 14.670 -2.650 9.156 1.00 0.45 H new ATOM 0 HB ILE A 39 16.171 0.013 9.090 1.00 0.55 H new ATOM 0 HG12 ILE A 39 15.896 -1.534 11.252 1.00 0.73 H new ATOM 0 HG13 ILE A 39 15.710 0.205 11.364 1.00 0.73 H new ATOM 0 HG21 ILE A 39 13.945 1.077 9.298 1.00 0.53 H new ATOM 0 HG22 ILE A 39 14.088 0.171 7.774 1.00 0.53 H new ATOM 0 HG23 ILE A 39 13.168 -0.515 9.134 1.00 0.53 H new ATOM 0 HD11 ILE A 39 13.844 -0.952 12.516 1.00 0.73 H new ATOM 0 HD12 ILE A 39 13.237 -0.030 11.120 1.00 0.73 H new ATOM 0 HD13 ILE A 39 13.426 -1.796 11.006 1.00 0.73 H new ATOM 630 N GLN A 40 16.317 -1.376 6.592 1.00 0.42 N ATOM 631 CA GLN A 40 16.261 -1.242 5.109 1.00 0.43 C ATOM 632 C GLN A 40 16.041 -2.614 4.469 1.00 0.35 C ATOM 633 O GLN A 40 15.495 -2.725 3.390 1.00 0.37 O ATOM 634 CB GLN A 40 17.581 -0.656 4.601 1.00 0.53 C ATOM 635 CG GLN A 40 17.731 0.782 5.103 1.00 1.38 C ATOM 636 CD GLN A 40 19.070 1.350 4.627 1.00 1.91 C ATOM 637 OE1 GLN A 40 19.976 0.541 4.149 1.00 2.54 O flip ATOM 638 NE2 GLN A 40 19.294 2.542 4.691 1.00 2.43 N flip ATOM 0 H GLN A 40 17.175 -1.033 7.024 1.00 0.42 H new ATOM 0 HA GLN A 40 15.435 -0.582 4.841 1.00 0.43 H new ATOM 0 HB2 GLN A 40 18.417 -1.262 4.949 1.00 0.53 H new ATOM 0 HB3 GLN A 40 17.604 -0.676 3.511 1.00 0.53 H new ATOM 0 HG2 GLN A 40 16.910 1.396 4.732 1.00 1.38 H new ATOM 0 HG3 GLN A 40 17.680 0.806 6.192 1.00 1.38 H new ATOM 0 HE21 GLN A 40 18.586 3.175 5.064 1.00 2.43 H new ATOM 0 HE22 GLN A 40 20.190 2.910 4.371 1.00 2.43 H new ATOM 647 N SER A 41 16.473 -3.660 5.118 1.00 0.31 N ATOM 648 CA SER A 41 16.299 -5.020 4.533 1.00 0.28 C ATOM 649 C SER A 41 14.811 -5.367 4.470 1.00 0.24 C ATOM 650 O SER A 41 14.311 -5.811 3.455 1.00 0.25 O ATOM 651 CB SER A 41 17.031 -6.045 5.399 1.00 0.29 C ATOM 652 OG SER A 41 18.395 -5.664 5.525 1.00 1.32 O ATOM 0 H SER A 41 16.938 -3.633 6.026 1.00 0.31 H new ATOM 0 HA SER A 41 16.714 -5.036 3.525 1.00 0.28 H new ATOM 0 HB2 SER A 41 16.566 -6.105 6.383 1.00 0.29 H new ATOM 0 HB3 SER A 41 16.958 -7.036 4.950 1.00 0.29 H new ATOM 0 HG SER A 41 18.482 -4.988 6.230 1.00 1.32 H new ATOM 658 N ARG A 42 14.096 -5.163 5.542 1.00 0.22 N ATOM 659 CA ARG A 42 12.639 -5.477 5.530 1.00 0.21 C ATOM 660 C ARG A 42 11.904 -4.389 4.741 1.00 0.20 C ATOM 661 O ARG A 42 10.948 -4.655 4.041 1.00 0.20 O ATOM 662 CB ARG A 42 12.112 -5.525 6.973 1.00 0.24 C ATOM 663 CG ARG A 42 12.462 -6.875 7.608 1.00 0.52 C ATOM 664 CD ARG A 42 12.010 -6.892 9.071 1.00 0.82 C ATOM 665 NE ARG A 42 12.939 -6.059 9.886 1.00 1.50 N ATOM 666 CZ ARG A 42 12.601 -5.691 11.093 1.00 1.92 C ATOM 667 NH1 ARG A 42 11.448 -6.050 11.588 1.00 1.83 N ATOM 668 NH2 ARG A 42 13.418 -4.964 11.805 1.00 2.91 N ATOM 0 H ARG A 42 14.455 -4.794 6.422 1.00 0.22 H new ATOM 0 HA ARG A 42 12.470 -6.446 5.060 1.00 0.21 H new ATOM 0 HB2 ARG A 42 12.548 -4.714 7.556 1.00 0.24 H new ATOM 0 HB3 ARG A 42 11.032 -5.378 6.981 1.00 0.24 H new ATOM 0 HG2 ARG A 42 11.978 -7.682 7.059 1.00 0.52 H new ATOM 0 HG3 ARG A 42 13.536 -7.048 7.548 1.00 0.52 H new ATOM 0 HD2 ARG A 42 10.993 -6.509 9.153 1.00 0.82 H new ATOM 0 HD3 ARG A 42 11.996 -7.915 9.447 1.00 0.82 H new ATOM 0 HE ARG A 42 13.840 -5.776 9.501 1.00 1.50 H new ATOM 0 HH11 ARG A 42 10.809 -6.619 11.032 1.00 1.83 H new ATOM 0 HH12 ARG A 42 11.186 -5.762 12.531 1.00 1.83 H new ATOM 0 HH21 ARG A 42 14.320 -4.684 11.419 1.00 2.91 H new ATOM 0 HH22 ARG A 42 13.155 -4.676 12.748 1.00 2.91 H new ATOM 682 N PHE A 43 12.338 -3.164 4.859 1.00 0.22 N ATOM 683 CA PHE A 43 11.662 -2.055 4.126 1.00 0.24 C ATOM 684 C PHE A 43 11.556 -2.398 2.637 1.00 0.23 C ATOM 685 O PHE A 43 10.493 -2.328 2.051 1.00 0.23 O ATOM 686 CB PHE A 43 12.472 -0.764 4.300 1.00 0.28 C ATOM 687 CG PHE A 43 11.614 0.430 3.948 1.00 0.38 C ATOM 688 CD1 PHE A 43 11.559 0.890 2.627 1.00 1.40 C ATOM 689 CD2 PHE A 43 10.874 1.078 4.945 1.00 1.18 C ATOM 690 CE1 PHE A 43 10.765 1.997 2.303 1.00 1.48 C ATOM 691 CE2 PHE A 43 10.080 2.184 4.622 1.00 1.22 C ATOM 692 CZ PHE A 43 10.026 2.644 3.301 1.00 0.70 C ATOM 0 H PHE A 43 13.133 -2.882 5.432 1.00 0.22 H new ATOM 0 HA PHE A 43 10.659 -1.917 4.530 1.00 0.24 H new ATOM 0 HB2 PHE A 43 12.824 -0.680 5.328 1.00 0.28 H new ATOM 0 HB3 PHE A 43 13.355 -0.789 3.662 1.00 0.28 H new ATOM 0 HD1 PHE A 43 12.129 0.391 1.857 1.00 1.40 H new ATOM 0 HD2 PHE A 43 10.916 0.724 5.964 1.00 1.18 H new ATOM 0 HE1 PHE A 43 10.723 2.352 1.284 1.00 1.48 H new ATOM 0 HE2 PHE A 43 9.509 2.682 5.391 1.00 1.22 H new ATOM 0 HZ PHE A 43 9.414 3.498 3.051 1.00 0.70 H new ATOM 702 N ASN A 44 12.645 -2.758 2.014 1.00 0.24 N ATOM 703 CA ASN A 44 12.596 -3.092 0.560 1.00 0.24 C ATOM 704 C ASN A 44 11.801 -4.381 0.347 1.00 0.22 C ATOM 705 O ASN A 44 11.060 -4.513 -0.607 1.00 0.23 O ATOM 706 CB ASN A 44 14.022 -3.287 0.036 1.00 0.25 C ATOM 707 CG ASN A 44 14.815 -1.989 0.203 1.00 0.95 C ATOM 708 OD1 ASN A 44 14.492 -1.170 1.040 1.00 1.73 O ATOM 709 ND2 ASN A 44 15.846 -1.766 -0.565 1.00 1.67 N ATOM 0 H ASN A 44 13.565 -2.836 2.447 1.00 0.24 H new ATOM 0 HA ASN A 44 12.111 -2.277 0.022 1.00 0.24 H new ATOM 0 HB2 ASN A 44 14.512 -4.096 0.578 1.00 0.25 H new ATOM 0 HB3 ASN A 44 13.997 -3.577 -1.014 1.00 0.25 H new ATOM 0 HD21 ASN A 44 16.381 -0.904 -0.463 1.00 1.67 H new ATOM 0 HD22 ASN A 44 16.117 -2.454 -1.268 1.00 1.67 H new ATOM 716 N TYR A 45 11.954 -5.337 1.220 1.00 0.21 N ATOM 717 CA TYR A 45 11.211 -6.618 1.058 1.00 0.20 C ATOM 718 C TYR A 45 9.706 -6.348 1.117 1.00 0.21 C ATOM 719 O TYR A 45 8.919 -7.033 0.494 1.00 0.22 O ATOM 720 CB TYR A 45 11.619 -7.578 2.176 1.00 0.20 C ATOM 721 CG TYR A 45 10.942 -8.922 1.989 1.00 0.21 C ATOM 722 CD1 TYR A 45 11.184 -9.679 0.833 1.00 1.12 C ATOM 723 CD2 TYR A 45 10.077 -9.419 2.977 1.00 1.33 C ATOM 724 CE1 TYR A 45 10.563 -10.922 0.665 1.00 1.05 C ATOM 725 CE2 TYR A 45 9.459 -10.663 2.806 1.00 1.43 C ATOM 726 CZ TYR A 45 9.700 -11.413 1.650 1.00 0.43 C ATOM 727 OH TYR A 45 9.090 -12.640 1.483 1.00 0.57 O ATOM 0 H TYR A 45 12.561 -5.287 2.038 1.00 0.21 H new ATOM 0 HA TYR A 45 11.450 -7.066 0.094 1.00 0.20 H new ATOM 0 HB2 TYR A 45 12.702 -7.706 2.178 1.00 0.20 H new ATOM 0 HB3 TYR A 45 11.346 -7.157 3.144 1.00 0.20 H new ATOM 0 HD1 TYR A 45 11.851 -9.302 0.071 1.00 1.12 H new ATOM 0 HD2 TYR A 45 9.888 -8.841 3.870 1.00 1.33 H new ATOM 0 HE1 TYR A 45 10.750 -11.503 -0.226 1.00 1.05 H new ATOM 0 HE2 TYR A 45 8.795 -11.045 3.568 1.00 1.43 H new ATOM 0 HH TYR A 45 8.524 -12.832 2.259 1.00 0.57 H new ATOM 737 N ALA A 46 9.299 -5.349 1.851 1.00 0.22 N ATOM 738 CA ALA A 46 7.846 -5.032 1.936 1.00 0.24 C ATOM 739 C ALA A 46 7.405 -4.351 0.641 1.00 0.25 C ATOM 740 O ALA A 46 6.264 -4.444 0.234 1.00 0.28 O ATOM 741 CB ALA A 46 7.594 -4.093 3.117 1.00 0.26 C ATOM 0 H ALA A 46 9.909 -4.739 2.395 1.00 0.22 H new ATOM 0 HA ALA A 46 7.279 -5.952 2.080 1.00 0.24 H new ATOM 0 HB1 ALA A 46 6.530 -3.862 3.178 1.00 0.26 H new ATOM 0 HB2 ALA A 46 7.914 -4.576 4.040 1.00 0.26 H new ATOM 0 HB3 ALA A 46 8.158 -3.171 2.976 1.00 0.26 H new ATOM 747 N TRP A 47 8.304 -3.666 -0.012 1.00 0.26 N ATOM 748 CA TRP A 47 7.940 -2.979 -1.280 1.00 0.29 C ATOM 749 C TRP A 47 7.713 -4.027 -2.373 1.00 0.29 C ATOM 750 O TRP A 47 6.791 -3.922 -3.158 1.00 0.29 O ATOM 751 CB TRP A 47 9.070 -2.018 -1.677 1.00 0.33 C ATOM 752 CG TRP A 47 8.848 -1.481 -3.060 1.00 0.34 C ATOM 753 CD1 TRP A 47 9.712 -1.631 -4.091 1.00 0.38 C ATOM 754 CD2 TRP A 47 7.723 -0.707 -3.582 1.00 0.35 C ATOM 755 NE1 TRP A 47 9.191 -1.008 -5.210 1.00 0.40 N ATOM 756 CE2 TRP A 47 7.968 -0.425 -4.948 1.00 0.38 C ATOM 757 CE3 TRP A 47 6.526 -0.227 -3.014 1.00 0.36 C ATOM 758 CZ2 TRP A 47 7.061 0.301 -5.721 1.00 0.42 C ATOM 759 CZ3 TRP A 47 5.613 0.504 -3.791 1.00 0.42 C ATOM 760 CH2 TRP A 47 5.880 0.767 -5.141 1.00 0.44 C ATOM 0 H TRP A 47 9.275 -3.553 0.279 1.00 0.26 H new ATOM 0 HA TRP A 47 7.023 -2.405 -1.148 1.00 0.29 H new ATOM 0 HB2 TRP A 47 9.120 -1.194 -0.965 1.00 0.33 H new ATOM 0 HB3 TRP A 47 10.028 -2.537 -1.632 1.00 0.33 H new ATOM 0 HD1 TRP A 47 10.656 -2.153 -4.047 1.00 0.38 H new ATOM 0 HE1 TRP A 47 9.654 -0.982 -6.118 1.00 0.40 H new ATOM 0 HE3 TRP A 47 6.309 -0.423 -1.974 1.00 0.36 H new ATOM 0 HZ2 TRP A 47 7.271 0.501 -6.761 1.00 0.42 H new ATOM 0 HZ3 TRP A 47 4.699 0.866 -3.345 1.00 0.42 H new ATOM 0 HH2 TRP A 47 5.173 1.330 -5.732 1.00 0.44 H new ATOM 771 N GLY A 48 8.551 -5.028 -2.452 1.00 0.29 N ATOM 772 CA GLY A 48 8.374 -6.058 -3.513 1.00 0.30 C ATOM 773 C GLY A 48 7.068 -6.817 -3.281 1.00 0.27 C ATOM 774 O GLY A 48 6.397 -7.214 -4.211 1.00 0.29 O ATOM 0 H GLY A 48 9.346 -5.175 -1.830 1.00 0.29 H new ATOM 0 HA2 GLY A 48 8.361 -5.584 -4.495 1.00 0.30 H new ATOM 0 HA3 GLY A 48 9.215 -6.751 -3.504 1.00 0.30 H new ATOM 778 N LEU A 49 6.709 -7.031 -2.046 1.00 0.25 N ATOM 779 CA LEU A 49 5.451 -7.774 -1.761 1.00 0.24 C ATOM 780 C LEU A 49 4.247 -6.936 -2.195 1.00 0.24 C ATOM 781 O LEU A 49 3.227 -7.464 -2.591 1.00 0.29 O ATOM 782 CB LEU A 49 5.353 -8.075 -0.259 1.00 0.23 C ATOM 783 CG LEU A 49 6.399 -9.133 0.141 1.00 0.23 C ATOM 784 CD1 LEU A 49 6.610 -9.098 1.662 1.00 0.24 C ATOM 785 CD2 LEU A 49 5.917 -10.539 -0.261 1.00 0.26 C ATOM 0 H LEU A 49 7.230 -6.725 -1.225 1.00 0.25 H new ATOM 0 HA LEU A 49 5.457 -8.712 -2.316 1.00 0.24 H new ATOM 0 HB2 LEU A 49 5.512 -7.161 0.314 1.00 0.23 H new ATOM 0 HB3 LEU A 49 4.352 -8.433 -0.017 1.00 0.23 H new ATOM 0 HG LEU A 49 7.334 -8.910 -0.373 1.00 0.23 H new ATOM 0 HD11 LEU A 49 7.350 -9.847 1.944 1.00 0.24 H new ATOM 0 HD12 LEU A 49 6.963 -8.110 1.958 1.00 0.24 H new ATOM 0 HD13 LEU A 49 5.667 -9.312 2.165 1.00 0.24 H new ATOM 0 HD21 LEU A 49 6.666 -11.277 0.028 1.00 0.26 H new ATOM 0 HD22 LEU A 49 4.977 -10.760 0.244 1.00 0.26 H new ATOM 0 HD23 LEU A 49 5.767 -10.577 -1.340 1.00 0.26 H new ATOM 797 N ILE A 50 4.352 -5.637 -2.129 1.00 0.24 N ATOM 798 CA ILE A 50 3.204 -4.783 -2.543 1.00 0.26 C ATOM 799 C ILE A 50 3.057 -4.831 -4.067 1.00 0.27 C ATOM 800 O ILE A 50 1.969 -4.714 -4.595 1.00 0.29 O ATOM 801 CB ILE A 50 3.438 -3.337 -2.082 1.00 0.28 C ATOM 802 CG1 ILE A 50 3.262 -3.262 -0.560 1.00 0.32 C ATOM 803 CG2 ILE A 50 2.424 -2.400 -2.754 1.00 0.32 C ATOM 804 CD1 ILE A 50 3.776 -1.917 -0.042 1.00 0.73 C ATOM 0 H ILE A 50 5.178 -5.133 -1.808 1.00 0.24 H new ATOM 0 HA ILE A 50 2.289 -5.156 -2.082 1.00 0.26 H new ATOM 0 HB ILE A 50 4.447 -3.030 -2.359 1.00 0.28 H new ATOM 0 HG12 ILE A 50 2.210 -3.384 -0.300 1.00 0.32 H new ATOM 0 HG13 ILE A 50 3.805 -4.077 -0.082 1.00 0.32 H new ATOM 0 HG21 ILE A 50 2.598 -1.377 -2.421 1.00 0.32 H new ATOM 0 HG22 ILE A 50 2.540 -2.454 -3.836 1.00 0.32 H new ATOM 0 HG23 ILE A 50 1.413 -2.703 -2.482 1.00 0.32 H new ATOM 0 HD11 ILE A 50 3.648 -1.871 1.039 1.00 0.73 H new ATOM 0 HD12 ILE A 50 4.833 -1.813 -0.287 1.00 0.73 H new ATOM 0 HD13 ILE A 50 3.214 -1.108 -0.509 1.00 0.73 H new ATOM 816 N LYS A 51 4.133 -5.013 -4.783 1.00 0.28 N ATOM 817 CA LYS A 51 4.035 -5.074 -6.270 1.00 0.31 C ATOM 818 C LYS A 51 3.463 -6.430 -6.686 1.00 0.31 C ATOM 819 O LYS A 51 3.163 -6.661 -7.841 1.00 0.36 O ATOM 820 CB LYS A 51 5.431 -4.898 -6.879 1.00 0.37 C ATOM 821 CG LYS A 51 5.916 -3.465 -6.638 1.00 0.72 C ATOM 822 CD LYS A 51 7.405 -3.349 -6.991 1.00 0.79 C ATOM 823 CE LYS A 51 7.603 -3.493 -8.503 1.00 0.87 C ATOM 824 NZ LYS A 51 8.974 -3.032 -8.866 1.00 1.58 N ATOM 0 H LYS A 51 5.074 -5.122 -4.404 1.00 0.28 H new ATOM 0 HA LYS A 51 3.380 -4.279 -6.627 1.00 0.31 H new ATOM 0 HB2 LYS A 51 6.127 -5.609 -6.433 1.00 0.37 H new ATOM 0 HB3 LYS A 51 5.402 -5.109 -7.948 1.00 0.37 H new ATOM 0 HG2 LYS A 51 5.335 -2.769 -7.243 1.00 0.72 H new ATOM 0 HG3 LYS A 51 5.758 -3.189 -5.595 1.00 0.72 H new ATOM 0 HD2 LYS A 51 7.792 -2.386 -6.656 1.00 0.79 H new ATOM 0 HD3 LYS A 51 7.971 -4.119 -6.468 1.00 0.79 H new ATOM 0 HE2 LYS A 51 7.465 -4.532 -8.802 1.00 0.87 H new ATOM 0 HE3 LYS A 51 6.856 -2.906 -9.037 1.00 0.87 H new ATOM 0 HZ1 LYS A 51 9.112 -3.128 -9.892 1.00 1.58 H new ATOM 0 HZ2 LYS A 51 9.089 -2.035 -8.593 1.00 1.58 H new ATOM 0 HZ3 LYS A 51 9.679 -3.611 -8.366 1.00 1.58 H new ATOM 838 N SER A 52 3.308 -7.328 -5.753 1.00 0.32 N ATOM 839 CA SER A 52 2.752 -8.667 -6.094 1.00 0.34 C ATOM 840 C SER A 52 1.317 -8.507 -6.595 1.00 0.35 C ATOM 841 O SER A 52 0.693 -7.482 -6.402 1.00 0.36 O ATOM 842 CB SER A 52 2.759 -9.556 -4.851 1.00 0.36 C ATOM 843 OG SER A 52 4.088 -9.665 -4.358 1.00 1.14 O ATOM 0 H SER A 52 3.542 -7.192 -4.770 1.00 0.32 H new ATOM 0 HA SER A 52 3.363 -9.126 -6.872 1.00 0.34 H new ATOM 0 HB2 SER A 52 2.108 -9.134 -4.085 1.00 0.36 H new ATOM 0 HB3 SER A 52 2.367 -10.544 -5.094 1.00 0.36 H new ATOM 0 HG SER A 52 4.123 -10.354 -3.662 1.00 1.14 H new ATOM 849 N THR A 53 0.788 -9.512 -7.242 1.00 0.38 N ATOM 850 CA THR A 53 -0.608 -9.423 -7.763 1.00 0.41 C ATOM 851 C THR A 53 -1.583 -10.009 -6.739 1.00 0.40 C ATOM 852 O THR A 53 -2.701 -9.551 -6.604 1.00 0.52 O ATOM 853 CB THR A 53 -0.712 -10.210 -9.071 1.00 0.46 C ATOM 854 OG1 THR A 53 -0.429 -11.580 -8.822 1.00 0.51 O ATOM 855 CG2 THR A 53 0.291 -9.654 -10.084 1.00 0.49 C ATOM 0 H THR A 53 1.264 -10.394 -7.433 1.00 0.38 H new ATOM 0 HA THR A 53 -0.860 -8.378 -7.941 1.00 0.41 H new ATOM 0 HB THR A 53 -1.721 -10.116 -9.473 1.00 0.46 H new ATOM 0 HG1 THR A 53 -0.497 -12.085 -9.659 1.00 0.51 H new ATOM 0 HG21 THR A 53 0.216 -10.215 -11.015 1.00 0.49 H new ATOM 0 HG22 THR A 53 0.071 -8.604 -10.275 1.00 0.49 H new ATOM 0 HG23 THR A 53 1.301 -9.747 -9.685 1.00 0.49 H new ATOM 863 N ASP A 54 -1.177 -11.018 -6.013 1.00 0.39 N ATOM 864 CA ASP A 54 -2.096 -11.619 -5.003 1.00 0.38 C ATOM 865 C ASP A 54 -2.184 -10.696 -3.785 1.00 0.37 C ATOM 866 O ASP A 54 -1.255 -9.996 -3.439 1.00 0.36 O ATOM 867 CB ASP A 54 -1.595 -13.001 -4.581 1.00 0.38 C ATOM 868 CG ASP A 54 -1.656 -13.959 -5.770 1.00 1.31 C ATOM 869 OD1 ASP A 54 -0.691 -14.010 -6.515 1.00 2.18 O ATOM 870 OD2 ASP A 54 -2.666 -14.628 -5.914 1.00 1.86 O ATOM 0 H ASP A 54 -0.255 -11.449 -6.075 1.00 0.39 H new ATOM 0 HA ASP A 54 -3.086 -11.733 -5.444 1.00 0.38 H new ATOM 0 HB2 ASP A 54 -0.572 -12.930 -4.212 1.00 0.38 H new ATOM 0 HB3 ASP A 54 -2.204 -13.384 -3.762 1.00 0.38 H new ATOM 875 N VAL A 55 -3.318 -10.707 -3.137 1.00 0.37 N ATOM 876 CA VAL A 55 -3.530 -9.852 -1.937 1.00 0.37 C ATOM 877 C VAL A 55 -2.833 -10.475 -0.721 1.00 0.35 C ATOM 878 O VAL A 55 -2.589 -9.816 0.267 1.00 0.35 O ATOM 879 CB VAL A 55 -5.043 -9.722 -1.669 1.00 0.39 C ATOM 880 CG1 VAL A 55 -5.573 -10.970 -0.949 1.00 0.42 C ATOM 881 CG2 VAL A 55 -5.309 -8.486 -0.802 1.00 0.40 C ATOM 0 H VAL A 55 -4.119 -11.283 -3.395 1.00 0.37 H new ATOM 0 HA VAL A 55 -3.106 -8.864 -2.114 1.00 0.37 H new ATOM 0 HB VAL A 55 -5.557 -9.621 -2.625 1.00 0.39 H new ATOM 0 HG11 VAL A 55 -6.642 -10.859 -0.769 1.00 0.42 H new ATOM 0 HG12 VAL A 55 -5.399 -11.849 -1.569 1.00 0.42 H new ATOM 0 HG13 VAL A 55 -5.055 -11.089 0.003 1.00 0.42 H new ATOM 0 HG21 VAL A 55 -6.379 -8.397 -0.614 1.00 0.40 H new ATOM 0 HG22 VAL A 55 -4.781 -8.586 0.146 1.00 0.40 H new ATOM 0 HG23 VAL A 55 -4.956 -7.595 -1.321 1.00 0.40 H new ATOM 891 N ASN A 56 -2.497 -11.730 -0.793 1.00 0.34 N ATOM 892 CA ASN A 56 -1.807 -12.378 0.356 1.00 0.34 C ATOM 893 C ASN A 56 -0.445 -11.711 0.579 1.00 0.31 C ATOM 894 O ASN A 56 -0.102 -11.321 1.681 1.00 0.31 O ATOM 895 CB ASN A 56 -1.612 -13.866 0.056 1.00 0.36 C ATOM 896 CG ASN A 56 -2.968 -14.497 -0.267 1.00 1.34 C ATOM 897 OD1 ASN A 56 -3.808 -13.874 -0.886 1.00 2.14 O ATOM 898 ND2 ASN A 56 -3.221 -15.715 0.129 1.00 2.11 N ATOM 0 H ASN A 56 -2.669 -12.335 -1.596 1.00 0.34 H new ATOM 0 HA ASN A 56 -2.412 -12.267 1.256 1.00 0.34 H new ATOM 0 HB2 ASN A 56 -0.929 -13.993 -0.784 1.00 0.36 H new ATOM 0 HB3 ASN A 56 -1.160 -14.366 0.913 1.00 0.36 H new ATOM 0 HD21 ASN A 56 -4.123 -16.143 -0.081 1.00 2.11 H new ATOM 0 HD22 ASN A 56 -2.517 -16.239 0.649 1.00 2.11 H new ATOM 905 N ASP A 57 0.334 -11.572 -0.458 1.00 0.30 N ATOM 906 CA ASP A 57 1.671 -10.932 -0.309 1.00 0.30 C ATOM 907 C ASP A 57 1.500 -9.438 -0.017 1.00 0.29 C ATOM 908 O ASP A 57 2.167 -8.883 0.835 1.00 0.28 O ATOM 909 CB ASP A 57 2.466 -11.114 -1.607 1.00 0.33 C ATOM 910 CG ASP A 57 2.962 -12.559 -1.706 1.00 0.42 C ATOM 911 OD1 ASP A 57 2.209 -13.392 -2.184 1.00 1.09 O ATOM 912 OD2 ASP A 57 4.087 -12.807 -1.305 1.00 1.23 O ATOM 0 H ASP A 57 0.102 -11.875 -1.404 1.00 0.30 H new ATOM 0 HA ASP A 57 2.207 -11.399 0.517 1.00 0.30 H new ATOM 0 HB2 ASP A 57 1.839 -10.874 -2.466 1.00 0.33 H new ATOM 0 HB3 ASP A 57 3.311 -10.426 -1.627 1.00 0.33 H new ATOM 917 N GLU A 58 0.617 -8.779 -0.716 1.00 0.33 N ATOM 918 CA GLU A 58 0.416 -7.320 -0.476 1.00 0.36 C ATOM 919 C GLU A 58 0.029 -7.083 0.987 1.00 0.34 C ATOM 920 O GLU A 58 0.439 -6.115 1.596 1.00 0.34 O ATOM 921 CB GLU A 58 -0.706 -6.799 -1.378 1.00 0.42 C ATOM 922 CG GLU A 58 -0.315 -6.961 -2.848 1.00 0.92 C ATOM 923 CD GLU A 58 -1.490 -6.543 -3.734 1.00 1.66 C ATOM 924 OE1 GLU A 58 -1.580 -5.367 -4.050 1.00 2.21 O ATOM 925 OE2 GLU A 58 -2.282 -7.404 -4.081 1.00 2.45 O ATOM 0 H GLU A 58 0.027 -9.186 -1.442 1.00 0.33 H new ATOM 0 HA GLU A 58 1.344 -6.794 -0.700 1.00 0.36 H new ATOM 0 HB2 GLU A 58 -1.628 -7.344 -1.176 1.00 0.42 H new ATOM 0 HB3 GLU A 58 -0.902 -5.749 -1.159 1.00 0.42 H new ATOM 0 HG2 GLU A 58 0.560 -6.351 -3.073 1.00 0.92 H new ATOM 0 HG3 GLU A 58 -0.042 -7.996 -3.051 1.00 0.92 H new ATOM 932 N ARG A 59 -0.766 -7.949 1.551 1.00 0.33 N ATOM 933 CA ARG A 59 -1.188 -7.762 2.966 1.00 0.34 C ATOM 934 C ARG A 59 0.004 -7.975 3.903 1.00 0.30 C ATOM 935 O ARG A 59 0.053 -7.428 4.987 1.00 0.31 O ATOM 936 CB ARG A 59 -2.303 -8.771 3.300 1.00 0.40 C ATOM 937 CG ARG A 59 -3.220 -8.200 4.391 1.00 0.68 C ATOM 938 CD ARG A 59 -4.030 -9.327 5.061 1.00 0.95 C ATOM 939 NE ARG A 59 -5.413 -8.842 5.377 1.00 1.62 N ATOM 940 CZ ARG A 59 -5.614 -7.670 5.925 1.00 2.13 C ATOM 941 NH1 ARG A 59 -4.610 -6.939 6.322 1.00 2.23 N ATOM 942 NH2 ARG A 59 -6.834 -7.246 6.116 1.00 3.12 N ATOM 0 H ARG A 59 -1.142 -8.779 1.092 1.00 0.33 H new ATOM 0 HA ARG A 59 -1.561 -6.747 3.101 1.00 0.34 H new ATOM 0 HB2 ARG A 59 -2.884 -8.993 2.405 1.00 0.40 H new ATOM 0 HB3 ARG A 59 -1.865 -9.711 3.637 1.00 0.40 H new ATOM 0 HG2 ARG A 59 -2.623 -7.679 5.140 1.00 0.68 H new ATOM 0 HG3 ARG A 59 -3.898 -7.466 3.956 1.00 0.68 H new ATOM 0 HD2 ARG A 59 -4.081 -10.193 4.400 1.00 0.95 H new ATOM 0 HD3 ARG A 59 -3.531 -9.652 5.974 1.00 0.95 H new ATOM 0 HE ARG A 59 -6.213 -9.437 5.161 1.00 1.62 H new ATOM 0 HH11 ARG A 59 -3.655 -7.279 6.207 1.00 2.23 H new ATOM 0 HH12 ARG A 59 -4.780 -6.028 6.747 1.00 2.23 H new ATOM 0 HH21 ARG A 59 -7.625 -7.827 5.839 1.00 3.12 H new ATOM 0 HH22 ARG A 59 -6.996 -6.334 6.543 1.00 3.12 H new ATOM 956 N LEU A 60 0.973 -8.744 3.493 1.00 0.28 N ATOM 957 CA LEU A 60 2.157 -8.958 4.370 1.00 0.27 C ATOM 958 C LEU A 60 2.990 -7.674 4.391 1.00 0.25 C ATOM 959 O LEU A 60 3.553 -7.301 5.402 1.00 0.26 O ATOM 960 CB LEU A 60 2.994 -10.123 3.827 1.00 0.29 C ATOM 961 CG LEU A 60 4.198 -10.397 4.742 1.00 0.30 C ATOM 962 CD1 LEU A 60 3.723 -10.790 6.153 1.00 0.32 C ATOM 963 CD2 LEU A 60 5.025 -11.541 4.142 1.00 0.34 C ATOM 0 H LEU A 60 0.997 -9.230 2.597 1.00 0.28 H new ATOM 0 HA LEU A 60 1.836 -9.201 5.383 1.00 0.27 H new ATOM 0 HB2 LEU A 60 2.376 -11.018 3.752 1.00 0.29 H new ATOM 0 HB3 LEU A 60 3.341 -9.890 2.820 1.00 0.29 H new ATOM 0 HG LEU A 60 4.804 -9.494 4.819 1.00 0.30 H new ATOM 0 HD11 LEU A 60 4.588 -10.981 6.788 1.00 0.32 H new ATOM 0 HD12 LEU A 60 3.133 -9.978 6.578 1.00 0.32 H new ATOM 0 HD13 LEU A 60 3.111 -11.690 6.093 1.00 0.32 H new ATOM 0 HD21 LEU A 60 5.883 -11.745 4.783 1.00 0.34 H new ATOM 0 HD22 LEU A 60 4.407 -12.436 4.067 1.00 0.34 H new ATOM 0 HD23 LEU A 60 5.373 -11.256 3.149 1.00 0.34 H new ATOM 975 N GLY A 61 3.071 -6.994 3.279 1.00 0.22 N ATOM 976 CA GLY A 61 3.864 -5.733 3.226 1.00 0.21 C ATOM 977 C GLY A 61 3.273 -4.707 4.196 1.00 0.20 C ATOM 978 O GLY A 61 3.987 -4.056 4.932 1.00 0.21 O ATOM 0 H GLY A 61 2.621 -7.259 2.403 1.00 0.22 H new ATOM 0 HA2 GLY A 61 4.903 -5.935 3.485 1.00 0.21 H new ATOM 0 HA3 GLY A 61 3.860 -5.333 2.212 1.00 0.21 H new ATOM 982 N VAL A 62 1.977 -4.553 4.204 1.00 0.20 N ATOM 983 CA VAL A 62 1.358 -3.564 5.130 1.00 0.21 C ATOM 984 C VAL A 62 1.764 -3.911 6.567 1.00 0.22 C ATOM 985 O VAL A 62 2.198 -3.063 7.321 1.00 0.25 O ATOM 986 CB VAL A 62 -0.186 -3.600 4.972 1.00 0.23 C ATOM 987 CG1 VAL A 62 -0.889 -3.309 6.310 1.00 0.28 C ATOM 988 CG2 VAL A 62 -0.635 -2.552 3.941 1.00 0.31 C ATOM 0 H VAL A 62 1.323 -5.066 3.613 1.00 0.20 H new ATOM 0 HA VAL A 62 1.704 -2.558 4.894 1.00 0.21 H new ATOM 0 HB VAL A 62 -0.461 -4.600 4.636 1.00 0.23 H new ATOM 0 HG11 VAL A 62 -1.969 -3.341 6.168 1.00 0.28 H new ATOM 0 HG12 VAL A 62 -0.597 -4.059 7.045 1.00 0.28 H new ATOM 0 HG13 VAL A 62 -0.599 -2.320 6.666 1.00 0.28 H new ATOM 0 HG21 VAL A 62 -1.720 -2.585 3.837 1.00 0.31 H new ATOM 0 HG22 VAL A 62 -0.333 -1.560 4.276 1.00 0.31 H new ATOM 0 HG23 VAL A 62 -0.172 -2.767 2.978 1.00 0.31 H new ATOM 998 N LYS A 63 1.613 -5.145 6.951 1.00 0.24 N ATOM 999 CA LYS A 63 1.977 -5.540 8.337 1.00 0.28 C ATOM 1000 C LYS A 63 3.441 -5.183 8.610 1.00 0.26 C ATOM 1001 O LYS A 63 3.771 -4.625 9.637 1.00 0.29 O ATOM 1002 CB LYS A 63 1.771 -7.050 8.498 1.00 0.33 C ATOM 1003 CG LYS A 63 1.914 -7.457 9.987 1.00 0.47 C ATOM 1004 CD LYS A 63 2.673 -8.790 10.107 1.00 0.58 C ATOM 1005 CE LYS A 63 4.184 -8.545 9.994 1.00 1.60 C ATOM 1006 NZ LYS A 63 4.869 -9.825 9.661 1.00 2.36 N ATOM 0 H LYS A 63 1.253 -5.898 6.365 1.00 0.24 H new ATOM 0 HA LYS A 63 1.345 -5.007 9.048 1.00 0.28 H new ATOM 0 HB2 LYS A 63 0.784 -7.330 8.131 1.00 0.33 H new ATOM 0 HB3 LYS A 63 2.501 -7.590 7.895 1.00 0.33 H new ATOM 0 HG2 LYS A 63 2.445 -6.678 10.534 1.00 0.47 H new ATOM 0 HG3 LYS A 63 0.928 -7.550 10.442 1.00 0.47 H new ATOM 0 HD2 LYS A 63 2.443 -9.264 11.061 1.00 0.58 H new ATOM 0 HD3 LYS A 63 2.348 -9.475 9.324 1.00 0.58 H new ATOM 0 HE2 LYS A 63 4.386 -7.800 9.224 1.00 1.60 H new ATOM 0 HE3 LYS A 63 4.570 -8.146 10.932 1.00 1.60 H new ATOM 0 HZ1 LYS A 63 5.816 -9.834 10.090 1.00 2.36 H new ATOM 0 HZ2 LYS A 63 4.314 -10.623 10.031 1.00 2.36 H new ATOM 0 HZ3 LYS A 63 4.956 -9.914 8.628 1.00 2.36 H new ATOM 1020 N ILE A 64 4.322 -5.494 7.698 1.00 0.25 N ATOM 1021 CA ILE A 64 5.760 -5.166 7.908 1.00 0.25 C ATOM 1022 C ILE A 64 5.924 -3.642 7.964 1.00 0.22 C ATOM 1023 O ILE A 64 6.528 -3.106 8.871 1.00 0.22 O ATOM 1024 CB ILE A 64 6.589 -5.746 6.747 1.00 0.28 C ATOM 1025 CG1 ILE A 64 6.740 -7.261 6.935 1.00 0.33 C ATOM 1026 CG2 ILE A 64 7.982 -5.104 6.713 1.00 0.32 C ATOM 1027 CD1 ILE A 64 7.241 -7.896 5.635 1.00 0.35 C ATOM 0 H ILE A 64 4.107 -5.961 6.817 1.00 0.25 H new ATOM 0 HA ILE A 64 6.109 -5.599 8.845 1.00 0.25 H new ATOM 0 HB ILE A 64 6.075 -5.535 5.809 1.00 0.28 H new ATOM 0 HG12 ILE A 64 7.439 -7.469 7.745 1.00 0.33 H new ATOM 0 HG13 ILE A 64 5.783 -7.699 7.220 1.00 0.33 H new ATOM 0 HG21 ILE A 64 8.556 -5.524 5.887 1.00 0.32 H new ATOM 0 HG22 ILE A 64 7.883 -4.027 6.576 1.00 0.32 H new ATOM 0 HG23 ILE A 64 8.498 -5.304 7.652 1.00 0.32 H new ATOM 0 HD11 ILE A 64 7.347 -8.972 5.773 1.00 0.35 H new ATOM 0 HD12 ILE A 64 6.526 -7.701 4.836 1.00 0.35 H new ATOM 0 HD13 ILE A 64 8.207 -7.467 5.370 1.00 0.35 H new ATOM 1039 N LEU A 65 5.391 -2.944 7.001 1.00 0.20 N ATOM 1040 CA LEU A 65 5.516 -1.460 6.995 1.00 0.19 C ATOM 1041 C LEU A 65 4.955 -0.885 8.298 1.00 0.19 C ATOM 1042 O LEU A 65 5.415 0.129 8.784 1.00 0.20 O ATOM 1043 CB LEU A 65 4.732 -0.881 5.805 1.00 0.22 C ATOM 1044 CG LEU A 65 5.555 -1.005 4.506 1.00 0.29 C ATOM 1045 CD1 LEU A 65 4.611 -1.032 3.299 1.00 0.69 C ATOM 1046 CD2 LEU A 65 6.504 0.194 4.365 1.00 0.42 C ATOM 0 H LEU A 65 4.873 -3.338 6.216 1.00 0.20 H new ATOM 0 HA LEU A 65 6.569 -1.192 6.906 1.00 0.19 H new ATOM 0 HB2 LEU A 65 3.785 -1.409 5.694 1.00 0.22 H new ATOM 0 HB3 LEU A 65 4.494 0.166 5.993 1.00 0.22 H new ATOM 0 HG LEU A 65 6.136 -1.927 4.547 1.00 0.29 H new ATOM 0 HD11 LEU A 65 5.195 -1.120 2.383 1.00 0.69 H new ATOM 0 HD12 LEU A 65 3.937 -1.885 3.383 1.00 0.69 H new ATOM 0 HD13 LEU A 65 4.029 -0.111 3.272 1.00 0.69 H new ATOM 0 HD21 LEU A 65 7.080 0.096 3.445 1.00 0.42 H new ATOM 0 HD22 LEU A 65 5.923 1.116 4.333 1.00 0.42 H new ATOM 0 HD23 LEU A 65 7.183 0.222 5.217 1.00 0.42 H new ATOM 1058 N THR A 66 3.977 -1.525 8.878 1.00 0.21 N ATOM 1059 CA THR A 66 3.406 -1.011 10.151 1.00 0.25 C ATOM 1060 C THR A 66 4.309 -1.411 11.318 1.00 0.28 C ATOM 1061 O THR A 66 4.464 -0.682 12.274 1.00 0.31 O ATOM 1062 CB THR A 66 2.017 -1.620 10.359 1.00 0.29 C ATOM 1063 OG1 THR A 66 1.282 -1.543 9.146 1.00 0.43 O ATOM 1064 CG2 THR A 66 1.285 -0.848 11.452 1.00 0.36 C ATOM 0 H THR A 66 3.550 -2.381 8.524 1.00 0.21 H new ATOM 0 HA THR A 66 3.333 0.076 10.104 1.00 0.25 H new ATOM 0 HB THR A 66 2.115 -2.664 10.657 1.00 0.29 H new ATOM 0 HG1 THR A 66 1.433 -2.356 8.620 1.00 0.43 H new ATOM 0 HG21 THR A 66 0.295 -1.280 11.602 1.00 0.36 H new ATOM 0 HG22 THR A 66 1.852 -0.908 12.381 1.00 0.36 H new ATOM 0 HG23 THR A 66 1.184 0.196 11.155 1.00 0.36 H new ATOM 1072 N ASP A 67 4.937 -2.550 11.228 1.00 0.29 N ATOM 1073 CA ASP A 67 5.853 -2.975 12.319 1.00 0.34 C ATOM 1074 C ASP A 67 7.069 -2.048 12.308 1.00 0.32 C ATOM 1075 O ASP A 67 7.504 -1.559 13.332 1.00 0.35 O ATOM 1076 CB ASP A 67 6.294 -4.422 12.082 1.00 0.40 C ATOM 1077 CG ASP A 67 7.003 -4.956 13.328 1.00 1.30 C ATOM 1078 OD1 ASP A 67 7.966 -4.336 13.750 1.00 1.94 O ATOM 1079 OD2 ASP A 67 6.573 -5.978 13.838 1.00 2.12 O ATOM 0 H ASP A 67 4.855 -3.202 10.448 1.00 0.29 H new ATOM 0 HA ASP A 67 5.350 -2.918 13.284 1.00 0.34 H new ATOM 0 HB2 ASP A 67 5.428 -5.043 11.850 1.00 0.40 H new ATOM 0 HB3 ASP A 67 6.962 -4.473 11.222 1.00 0.40 H new ATOM 1084 N ILE A 68 7.610 -1.792 11.147 1.00 0.30 N ATOM 1085 CA ILE A 68 8.787 -0.885 11.045 1.00 0.29 C ATOM 1086 C ILE A 68 8.359 0.528 11.462 1.00 0.27 C ATOM 1087 O ILE A 68 9.130 1.287 12.007 1.00 0.31 O ATOM 1088 CB ILE A 68 9.285 -0.867 9.592 1.00 0.30 C ATOM 1089 CG1 ILE A 68 9.627 -2.296 9.147 1.00 0.34 C ATOM 1090 CG2 ILE A 68 10.536 0.012 9.480 1.00 0.33 C ATOM 1091 CD1 ILE A 68 9.780 -2.338 7.624 1.00 0.35 C ATOM 0 H ILE A 68 7.284 -2.175 10.260 1.00 0.30 H new ATOM 0 HA ILE A 68 9.588 -1.233 11.696 1.00 0.29 H new ATOM 0 HB ILE A 68 8.501 -0.462 8.952 1.00 0.30 H new ATOM 0 HG12 ILE A 68 10.550 -2.625 9.624 1.00 0.34 H new ATOM 0 HG13 ILE A 68 8.842 -2.983 9.463 1.00 0.34 H new ATOM 0 HG21 ILE A 68 10.884 0.020 8.447 1.00 0.33 H new ATOM 0 HG22 ILE A 68 10.295 1.029 9.790 1.00 0.33 H new ATOM 0 HG23 ILE A 68 11.320 -0.387 10.124 1.00 0.33 H new ATOM 0 HD11 ILE A 68 10.023 -3.353 7.311 1.00 0.35 H new ATOM 0 HD12 ILE A 68 8.846 -2.027 7.156 1.00 0.35 H new ATOM 0 HD13 ILE A 68 10.580 -1.663 7.320 1.00 0.35 H new ATOM 1103 N TYR A 69 7.122 0.870 11.228 1.00 0.26 N ATOM 1104 CA TYR A 69 6.636 2.222 11.626 1.00 0.26 C ATOM 1105 C TYR A 69 6.553 2.297 13.156 1.00 0.28 C ATOM 1106 O TYR A 69 6.937 3.277 13.764 1.00 0.34 O ATOM 1107 CB TYR A 69 5.245 2.462 11.020 1.00 0.29 C ATOM 1108 CG TYR A 69 4.594 3.681 11.646 1.00 0.27 C ATOM 1109 CD1 TYR A 69 3.990 3.580 12.906 1.00 1.25 C ATOM 1110 CD2 TYR A 69 4.588 4.907 10.967 1.00 1.22 C ATOM 1111 CE1 TYR A 69 3.384 4.700 13.487 1.00 1.28 C ATOM 1112 CE2 TYR A 69 3.980 6.027 11.551 1.00 1.23 C ATOM 1113 CZ TYR A 69 3.379 5.922 12.810 1.00 0.38 C ATOM 1114 OH TYR A 69 2.783 7.027 13.384 1.00 0.47 O ATOM 0 H TYR A 69 6.427 0.273 10.779 1.00 0.26 H new ATOM 0 HA TYR A 69 7.324 2.984 11.261 1.00 0.26 H new ATOM 0 HB2 TYR A 69 5.331 2.602 9.942 1.00 0.29 H new ATOM 0 HB3 TYR A 69 4.617 1.585 11.179 1.00 0.29 H new ATOM 0 HD1 TYR A 69 3.992 2.636 13.430 1.00 1.25 H new ATOM 0 HD2 TYR A 69 5.051 4.989 9.995 1.00 1.22 H new ATOM 0 HE1 TYR A 69 2.920 4.619 14.459 1.00 1.28 H new ATOM 0 HE2 TYR A 69 3.976 6.972 11.028 1.00 1.23 H new ATOM 0 HH TYR A 69 2.869 7.795 12.782 1.00 0.47 H new ATOM 1124 N LYS A 70 6.028 1.275 13.776 1.00 0.31 N ATOM 1125 CA LYS A 70 5.880 1.283 15.261 1.00 0.38 C ATOM 1126 C LYS A 70 7.227 1.081 15.963 1.00 0.38 C ATOM 1127 O LYS A 70 7.452 1.606 17.036 1.00 0.45 O ATOM 1128 CB LYS A 70 4.943 0.148 15.679 1.00 0.50 C ATOM 1129 CG LYS A 70 3.530 0.422 15.162 1.00 0.79 C ATOM 1130 CD LYS A 70 2.582 -0.684 15.645 1.00 0.88 C ATOM 1131 CE LYS A 70 2.945 -2.031 14.998 1.00 1.50 C ATOM 1132 NZ LYS A 70 3.962 -2.726 15.837 1.00 2.26 N ATOM 0 H LYS A 70 5.693 0.429 13.315 1.00 0.31 H new ATOM 0 HA LYS A 70 5.476 2.253 15.552 1.00 0.38 H new ATOM 0 HB2 LYS A 70 5.307 -0.800 15.283 1.00 0.50 H new ATOM 0 HB3 LYS A 70 4.931 0.056 16.765 1.00 0.50 H new ATOM 0 HG2 LYS A 70 3.184 1.393 15.517 1.00 0.79 H new ATOM 0 HG3 LYS A 70 3.532 0.463 14.073 1.00 0.79 H new ATOM 0 HD2 LYS A 70 2.638 -0.769 16.730 1.00 0.88 H new ATOM 0 HD3 LYS A 70 1.553 -0.422 15.398 1.00 0.88 H new ATOM 0 HE2 LYS A 70 2.054 -2.651 14.899 1.00 1.50 H new ATOM 0 HE3 LYS A 70 3.335 -1.871 13.993 1.00 1.50 H new ATOM 0 HZ1 LYS A 70 4.847 -2.824 15.300 1.00 2.26 H new ATOM 0 HZ2 LYS A 70 4.139 -2.171 16.698 1.00 2.26 H new ATOM 0 HZ3 LYS A 70 3.610 -3.669 16.099 1.00 2.26 H new ATOM 1146 N GLU A 71 8.118 0.314 15.390 1.00 0.40 N ATOM 1147 CA GLU A 71 9.437 0.067 16.058 1.00 0.52 C ATOM 1148 C GLU A 71 10.492 1.055 15.548 1.00 0.55 C ATOM 1149 O GLU A 71 11.406 1.410 16.266 1.00 1.13 O ATOM 1150 CB GLU A 71 9.888 -1.373 15.769 1.00 0.63 C ATOM 1151 CG GLU A 71 10.886 -1.839 16.837 1.00 0.99 C ATOM 1152 CD GLU A 71 10.136 -2.190 18.124 1.00 1.55 C ATOM 1153 OE1 GLU A 71 8.927 -2.029 18.145 1.00 2.27 O ATOM 1154 OE2 GLU A 71 10.784 -2.615 19.067 1.00 2.13 O ATOM 0 H GLU A 71 7.993 -0.152 14.491 1.00 0.40 H new ATOM 0 HA GLU A 71 9.324 0.209 17.133 1.00 0.52 H new ATOM 0 HB2 GLU A 71 9.023 -2.037 15.754 1.00 0.63 H new ATOM 0 HB3 GLU A 71 10.348 -1.427 14.782 1.00 0.63 H new ATOM 0 HG2 GLU A 71 11.439 -2.707 16.478 1.00 0.99 H new ATOM 0 HG3 GLU A 71 11.617 -1.054 17.033 1.00 0.99 H new ATOM 1161 N ALA A 72 10.377 1.515 14.332 1.00 0.59 N ATOM 1162 CA ALA A 72 11.385 2.489 13.809 1.00 0.57 C ATOM 1163 C ALA A 72 10.885 3.915 14.054 1.00 0.65 C ATOM 1164 O ALA A 72 9.956 4.141 14.803 1.00 1.23 O ATOM 1165 CB ALA A 72 11.586 2.261 12.302 1.00 0.60 C ATOM 0 H ALA A 72 9.635 1.262 13.680 1.00 0.59 H new ATOM 0 HA ALA A 72 12.335 2.345 14.323 1.00 0.57 H new ATOM 0 HB1 ALA A 72 12.320 2.971 11.921 1.00 0.60 H new ATOM 0 HB2 ALA A 72 11.942 1.245 12.132 1.00 0.60 H new ATOM 0 HB3 ALA A 72 10.639 2.406 11.783 1.00 0.60 H new ATOM 1171 N GLU A 73 11.473 4.869 13.395 1.00 0.71 N ATOM 1172 CA GLU A 73 11.030 6.278 13.540 1.00 0.77 C ATOM 1173 C GLU A 73 11.569 7.045 12.330 1.00 0.65 C ATOM 1174 O GLU A 73 12.263 6.468 11.525 1.00 1.06 O ATOM 1175 CB GLU A 73 11.587 6.878 14.831 1.00 1.08 C ATOM 1176 CG GLU A 73 13.096 6.613 14.931 1.00 1.79 C ATOM 1177 CD GLU A 73 13.341 5.173 15.389 1.00 2.15 C ATOM 1178 OE1 GLU A 73 12.914 4.840 16.482 1.00 2.60 O ATOM 1179 OE2 GLU A 73 13.954 4.430 14.641 1.00 2.62 O ATOM 0 H GLU A 73 12.253 4.730 12.753 1.00 0.71 H new ATOM 0 HA GLU A 73 9.943 6.338 13.587 1.00 0.77 H new ATOM 0 HB2 GLU A 73 11.397 7.951 14.854 1.00 1.08 H new ATOM 0 HB3 GLU A 73 11.077 6.445 15.691 1.00 1.08 H new ATOM 0 HG2 GLU A 73 13.569 6.782 13.964 1.00 1.79 H new ATOM 0 HG3 GLU A 73 13.551 7.310 15.634 1.00 1.79 H new ATOM 1186 N SER A 74 11.276 8.321 12.190 1.00 0.75 N ATOM 1187 CA SER A 74 11.790 9.080 11.008 1.00 0.62 C ATOM 1188 C SER A 74 11.293 8.406 9.723 1.00 0.55 C ATOM 1189 O SER A 74 10.709 9.034 8.864 1.00 0.63 O ATOM 1190 CB SER A 74 13.321 9.102 11.025 1.00 0.82 C ATOM 1191 OG SER A 74 13.769 9.525 12.305 1.00 1.55 O ATOM 0 H SER A 74 10.707 8.863 12.840 1.00 0.75 H new ATOM 0 HA SER A 74 11.424 10.106 11.048 1.00 0.62 H new ATOM 0 HB2 SER A 74 13.713 8.110 10.799 1.00 0.82 H new ATOM 0 HB3 SER A 74 13.695 9.776 10.255 1.00 0.82 H new ATOM 0 HG SER A 74 14.749 9.539 12.321 1.00 1.55 H new ATOM 1197 N ARG A 75 11.504 7.124 9.602 1.00 0.48 N ATOM 1198 CA ARG A 75 11.040 6.379 8.405 1.00 0.45 C ATOM 1199 C ARG A 75 9.512 6.358 8.390 1.00 0.42 C ATOM 1200 O ARG A 75 8.896 5.629 7.637 1.00 0.50 O ATOM 1201 CB ARG A 75 11.578 4.946 8.469 1.00 0.52 C ATOM 1202 CG ARG A 75 13.111 4.982 8.470 1.00 0.81 C ATOM 1203 CD ARG A 75 13.676 3.574 8.207 1.00 1.10 C ATOM 1204 NE ARG A 75 14.910 3.354 9.028 1.00 1.49 N ATOM 1205 CZ ARG A 75 15.847 4.266 9.108 1.00 2.08 C ATOM 1206 NH1 ARG A 75 15.778 5.355 8.394 1.00 2.63 N ATOM 1207 NH2 ARG A 75 16.881 4.066 9.878 1.00 2.72 N ATOM 0 H ARG A 75 11.987 6.554 10.297 1.00 0.48 H new ATOM 0 HA ARG A 75 11.403 6.863 7.498 1.00 0.45 H new ATOM 0 HB2 ARG A 75 11.214 4.448 9.367 1.00 0.52 H new ATOM 0 HB3 ARG A 75 11.216 4.371 7.617 1.00 0.52 H new ATOM 0 HG2 ARG A 75 13.466 5.673 7.706 1.00 0.81 H new ATOM 0 HG3 ARG A 75 13.473 5.354 9.429 1.00 0.81 H new ATOM 0 HD2 ARG A 75 12.927 2.821 8.453 1.00 1.10 H new ATOM 0 HD3 ARG A 75 13.908 3.459 7.148 1.00 1.10 H new ATOM 0 HE ARG A 75 15.023 2.476 9.535 1.00 1.49 H new ATOM 0 HH11 ARG A 75 14.989 5.503 7.765 1.00 2.63 H new ATOM 0 HH12 ARG A 75 16.513 6.058 8.464 1.00 2.63 H new ATOM 0 HH21 ARG A 75 16.958 3.202 10.415 1.00 2.72 H new ATOM 0 HH22 ARG A 75 17.613 4.774 9.943 1.00 2.72 H new ATOM 1221 N ARG A 76 8.895 7.162 9.211 1.00 0.41 N ATOM 1222 CA ARG A 76 7.409 7.208 9.250 1.00 0.47 C ATOM 1223 C ARG A 76 6.889 7.914 7.996 1.00 0.43 C ATOM 1224 O ARG A 76 5.925 7.494 7.388 1.00 0.45 O ATOM 1225 CB ARG A 76 6.976 7.994 10.489 1.00 0.57 C ATOM 1226 CG ARG A 76 7.435 7.256 11.748 1.00 1.08 C ATOM 1227 CD ARG A 76 6.938 7.998 12.990 1.00 1.14 C ATOM 1228 NE ARG A 76 7.611 7.445 14.200 1.00 1.76 N ATOM 1229 CZ ARG A 76 7.567 8.099 15.328 1.00 2.01 C ATOM 1230 NH1 ARG A 76 6.934 9.238 15.399 1.00 1.55 N ATOM 1231 NH2 ARG A 76 8.158 7.615 16.387 1.00 3.05 N ATOM 0 H ARG A 76 9.362 7.794 9.861 1.00 0.41 H new ATOM 0 HA ARG A 76 7.006 6.196 9.288 1.00 0.47 H new ATOM 0 HB2 ARG A 76 7.405 8.996 10.465 1.00 0.57 H new ATOM 0 HB3 ARG A 76 5.892 8.111 10.498 1.00 0.57 H new ATOM 0 HG2 ARG A 76 7.051 6.236 11.744 1.00 1.08 H new ATOM 0 HG3 ARG A 76 8.523 7.187 11.765 1.00 1.08 H new ATOM 0 HD2 ARG A 76 7.148 9.064 12.899 1.00 1.14 H new ATOM 0 HD3 ARG A 76 5.857 7.893 13.082 1.00 1.14 H new ATOM 0 HE ARG A 76 8.106 6.555 14.146 1.00 1.76 H new ATOM 0 HH11 ARG A 76 6.473 9.618 14.572 1.00 1.55 H new ATOM 0 HH12 ARG A 76 6.900 9.749 16.281 1.00 1.55 H new ATOM 0 HH21 ARG A 76 8.654 6.725 16.332 1.00 3.05 H new ATOM 0 HH22 ARG A 76 8.124 8.126 17.269 1.00 3.05 H new ATOM 1245 N ARG A 77 7.523 8.986 7.608 1.00 0.40 N ATOM 1246 CA ARG A 77 7.071 9.726 6.398 1.00 0.43 C ATOM 1247 C ARG A 77 7.020 8.773 5.203 1.00 0.39 C ATOM 1248 O ARG A 77 6.043 8.718 4.483 1.00 0.39 O ATOM 1249 CB ARG A 77 8.049 10.864 6.105 1.00 0.48 C ATOM 1250 CG ARG A 77 7.961 11.909 7.218 1.00 1.10 C ATOM 1251 CD ARG A 77 9.008 12.998 6.983 1.00 1.24 C ATOM 1252 NE ARG A 77 8.936 14.001 8.083 1.00 1.80 N ATOM 1253 CZ ARG A 77 9.909 14.853 8.257 1.00 2.30 C ATOM 1254 NH1 ARG A 77 10.947 14.830 7.466 1.00 2.43 N ATOM 1255 NH2 ARG A 77 9.844 15.729 9.222 1.00 3.22 N ATOM 0 H ARG A 77 8.337 9.382 8.079 1.00 0.40 H new ATOM 0 HA ARG A 77 6.077 10.137 6.573 1.00 0.43 H new ATOM 0 HB2 ARG A 77 9.065 10.476 6.035 1.00 0.48 H new ATOM 0 HB3 ARG A 77 7.815 11.321 5.143 1.00 0.48 H new ATOM 0 HG2 ARG A 77 6.964 12.348 7.240 1.00 1.10 H new ATOM 0 HG3 ARG A 77 8.123 11.437 8.187 1.00 1.10 H new ATOM 0 HD2 ARG A 77 10.004 12.557 6.943 1.00 1.24 H new ATOM 0 HD3 ARG A 77 8.835 13.483 6.022 1.00 1.24 H new ATOM 0 HE ARG A 77 8.125 14.022 8.701 1.00 1.80 H new ATOM 0 HH11 ARG A 77 10.998 14.146 6.711 1.00 2.43 H new ATOM 0 HH12 ARG A 77 11.707 15.496 7.603 1.00 2.43 H new ATOM 0 HH21 ARG A 77 9.033 15.748 9.840 1.00 3.22 H new ATOM 0 HH22 ARG A 77 10.604 16.395 9.358 1.00 3.22 H new ATOM 1269 N GLU A 78 8.065 8.025 4.982 1.00 0.36 N ATOM 1270 CA GLU A 78 8.074 7.083 3.829 1.00 0.36 C ATOM 1271 C GLU A 78 7.033 5.983 4.049 1.00 0.30 C ATOM 1272 O GLU A 78 6.342 5.581 3.135 1.00 0.32 O ATOM 1273 CB GLU A 78 9.461 6.445 3.700 1.00 0.40 C ATOM 1274 CG GLU A 78 10.530 7.540 3.663 1.00 0.91 C ATOM 1275 CD GLU A 78 11.869 6.935 3.236 1.00 1.56 C ATOM 1276 OE1 GLU A 78 12.059 6.746 2.045 1.00 2.33 O ATOM 1277 OE2 GLU A 78 12.682 6.671 4.106 1.00 2.13 O ATOM 0 H GLU A 78 8.912 8.025 5.550 1.00 0.36 H new ATOM 0 HA GLU A 78 7.835 7.632 2.918 1.00 0.36 H new ATOM 0 HB2 GLU A 78 9.643 5.774 4.539 1.00 0.40 H new ATOM 0 HB3 GLU A 78 9.512 5.842 2.793 1.00 0.40 H new ATOM 0 HG2 GLU A 78 10.236 8.326 2.967 1.00 0.91 H new ATOM 0 HG3 GLU A 78 10.625 8.003 4.645 1.00 0.91 H new ATOM 1284 N CYS A 79 6.907 5.497 5.254 1.00 0.27 N ATOM 1285 CA CYS A 79 5.909 4.423 5.524 1.00 0.25 C ATOM 1286 C CYS A 79 4.501 4.927 5.196 1.00 0.23 C ATOM 1287 O CYS A 79 3.737 4.262 4.525 1.00 0.24 O ATOM 1288 CB CYS A 79 5.975 4.022 6.999 1.00 0.29 C ATOM 1289 SG CYS A 79 7.545 3.182 7.325 1.00 1.19 S ATOM 0 H CYS A 79 7.452 5.797 6.063 1.00 0.27 H new ATOM 0 HA CYS A 79 6.136 3.559 4.900 1.00 0.25 H new ATOM 0 HB2 CYS A 79 5.884 4.905 7.632 1.00 0.29 H new ATOM 0 HB3 CYS A 79 5.141 3.366 7.246 1.00 0.29 H new ATOM 0 HG CYS A 79 8.506 4.057 7.362 1.00 1.19 H new ATOM 1295 N LEU A 80 4.149 6.092 5.664 1.00 0.23 N ATOM 1296 CA LEU A 80 2.788 6.625 5.375 1.00 0.23 C ATOM 1297 C LEU A 80 2.567 6.659 3.859 1.00 0.21 C ATOM 1298 O LEU A 80 1.467 6.470 3.380 1.00 0.21 O ATOM 1299 CB LEU A 80 2.653 8.037 5.960 1.00 0.26 C ATOM 1300 CG LEU A 80 2.778 7.987 7.494 1.00 0.27 C ATOM 1301 CD1 LEU A 80 3.079 9.390 8.031 1.00 0.34 C ATOM 1302 CD2 LEU A 80 1.469 7.485 8.124 1.00 0.42 C ATOM 0 H LEU A 80 4.742 6.697 6.232 1.00 0.23 H new ATOM 0 HA LEU A 80 2.037 5.980 5.831 1.00 0.23 H new ATOM 0 HB2 LEU A 80 3.424 8.686 5.545 1.00 0.26 H new ATOM 0 HB3 LEU A 80 1.691 8.465 5.679 1.00 0.26 H new ATOM 0 HG LEU A 80 3.587 7.304 7.753 1.00 0.27 H new ATOM 0 HD11 LEU A 80 3.167 9.353 9.117 1.00 0.34 H new ATOM 0 HD12 LEU A 80 4.014 9.750 7.603 1.00 0.34 H new ATOM 0 HD13 LEU A 80 2.270 10.066 7.756 1.00 0.34 H new ATOM 0 HD21 LEU A 80 1.575 7.456 9.208 1.00 0.42 H new ATOM 0 HD22 LEU A 80 0.655 8.159 7.857 1.00 0.42 H new ATOM 0 HD23 LEU A 80 1.248 6.484 7.754 1.00 0.42 H new ATOM 1314 N TYR A 81 3.601 6.905 3.101 1.00 0.22 N ATOM 1315 CA TYR A 81 3.441 6.954 1.618 1.00 0.23 C ATOM 1316 C TYR A 81 3.191 5.541 1.074 1.00 0.22 C ATOM 1317 O TYR A 81 2.246 5.305 0.349 1.00 0.22 O ATOM 1318 CB TYR A 81 4.713 7.528 0.986 1.00 0.26 C ATOM 1319 CG TYR A 81 4.579 7.521 -0.521 1.00 0.30 C ATOM 1320 CD1 TYR A 81 3.908 8.565 -1.169 1.00 1.26 C ATOM 1321 CD2 TYR A 81 5.123 6.469 -1.269 1.00 1.05 C ATOM 1322 CE1 TYR A 81 3.780 8.558 -2.564 1.00 1.31 C ATOM 1323 CE2 TYR A 81 4.995 6.462 -2.664 1.00 1.04 C ATOM 1324 CZ TYR A 81 4.324 7.507 -3.311 1.00 0.46 C ATOM 1325 OH TYR A 81 4.197 7.499 -4.685 1.00 0.55 O ATOM 0 H TYR A 81 4.547 7.074 3.442 1.00 0.22 H new ATOM 0 HA TYR A 81 2.591 7.589 1.369 1.00 0.23 H new ATOM 0 HB2 TYR A 81 4.881 8.545 1.341 1.00 0.26 H new ATOM 0 HB3 TYR A 81 5.579 6.938 1.287 1.00 0.26 H new ATOM 0 HD1 TYR A 81 3.489 9.377 -0.593 1.00 1.26 H new ATOM 0 HD2 TYR A 81 5.641 5.663 -0.770 1.00 1.05 H new ATOM 0 HE1 TYR A 81 3.262 9.363 -3.063 1.00 1.31 H new ATOM 0 HE2 TYR A 81 5.414 5.651 -3.241 1.00 1.04 H new ATOM 0 HH TYR A 81 5.024 7.160 -5.088 1.00 0.55 H new ATOM 1335 N TYR A 82 4.033 4.601 1.416 1.00 0.23 N ATOM 1336 CA TYR A 82 3.843 3.206 0.911 1.00 0.23 C ATOM 1337 C TYR A 82 2.568 2.589 1.498 1.00 0.22 C ATOM 1338 O TYR A 82 1.880 1.836 0.838 1.00 0.24 O ATOM 1339 CB TYR A 82 5.038 2.338 1.317 1.00 0.25 C ATOM 1340 CG TYR A 82 6.252 2.714 0.498 1.00 0.25 C ATOM 1341 CD1 TYR A 82 6.319 2.358 -0.855 1.00 1.30 C ATOM 1342 CD2 TYR A 82 7.313 3.409 1.091 1.00 1.13 C ATOM 1343 CE1 TYR A 82 7.445 2.698 -1.613 1.00 1.33 C ATOM 1344 CE2 TYR A 82 8.438 3.750 0.332 1.00 1.12 C ATOM 1345 CZ TYR A 82 8.505 3.394 -1.019 1.00 0.31 C ATOM 1346 OH TYR A 82 9.616 3.728 -1.766 1.00 0.36 O ATOM 0 H TYR A 82 4.842 4.737 2.022 1.00 0.23 H new ATOM 0 HA TYR A 82 3.760 3.246 -0.175 1.00 0.23 H new ATOM 0 HB2 TYR A 82 5.250 2.470 2.378 1.00 0.25 H new ATOM 0 HB3 TYR A 82 4.800 1.285 1.168 1.00 0.25 H new ATOM 0 HD1 TYR A 82 5.502 1.821 -1.313 1.00 1.30 H new ATOM 0 HD2 TYR A 82 7.263 3.682 2.135 1.00 1.13 H new ATOM 0 HE1 TYR A 82 7.497 2.424 -2.656 1.00 1.33 H new ATOM 0 HE2 TYR A 82 9.255 4.288 0.790 1.00 1.12 H new ATOM 0 HH TYR A 82 10.257 4.209 -1.202 1.00 0.36 H new ATOM 1356 N LEU A 83 2.230 2.906 2.719 1.00 0.21 N ATOM 1357 CA LEU A 83 0.991 2.331 3.306 1.00 0.20 C ATOM 1358 C LEU A 83 -0.207 2.865 2.534 1.00 0.20 C ATOM 1359 O LEU A 83 -1.163 2.156 2.288 1.00 0.25 O ATOM 1360 CB LEU A 83 0.881 2.731 4.783 1.00 0.20 C ATOM 1361 CG LEU A 83 1.934 1.973 5.616 1.00 0.22 C ATOM 1362 CD1 LEU A 83 2.157 2.701 6.946 1.00 0.24 C ATOM 1363 CD2 LEU A 83 1.461 0.538 5.904 1.00 0.25 C ATOM 0 H LEU A 83 2.755 3.533 3.329 1.00 0.21 H new ATOM 0 HA LEU A 83 1.019 1.243 3.240 1.00 0.20 H new ATOM 0 HB2 LEU A 83 1.027 3.806 4.889 1.00 0.20 H new ATOM 0 HB3 LEU A 83 -0.119 2.507 5.155 1.00 0.20 H new ATOM 0 HG LEU A 83 2.864 1.936 5.049 1.00 0.22 H new ATOM 0 HD11 LEU A 83 2.901 2.164 7.534 1.00 0.24 H new ATOM 0 HD12 LEU A 83 2.509 3.714 6.752 1.00 0.24 H new ATOM 0 HD13 LEU A 83 1.219 2.743 7.499 1.00 0.24 H new ATOM 0 HD21 LEU A 83 2.216 0.017 6.493 1.00 0.25 H new ATOM 0 HD22 LEU A 83 0.524 0.568 6.461 1.00 0.25 H new ATOM 0 HD23 LEU A 83 1.307 0.010 4.963 1.00 0.25 H new ATOM 1375 N THR A 84 -0.165 4.100 2.122 1.00 0.19 N ATOM 1376 CA THR A 84 -1.298 4.663 1.342 1.00 0.19 C ATOM 1377 C THR A 84 -1.457 3.861 0.052 1.00 0.22 C ATOM 1378 O THR A 84 -2.553 3.537 -0.360 1.00 0.24 O ATOM 1379 CB THR A 84 -0.977 6.130 1.015 1.00 0.20 C ATOM 1380 OG1 THR A 84 -0.848 6.859 2.227 1.00 0.22 O ATOM 1381 CG2 THR A 84 -2.090 6.754 0.166 1.00 0.18 C ATOM 0 H THR A 84 0.607 4.744 2.293 1.00 0.19 H new ATOM 0 HA THR A 84 -2.226 4.609 1.912 1.00 0.19 H new ATOM 0 HB THR A 84 -0.046 6.168 0.450 1.00 0.20 H new ATOM 0 HG1 THR A 84 0.011 6.645 2.648 1.00 0.22 H new ATOM 0 HG21 THR A 84 -1.842 7.792 -0.053 1.00 0.18 H new ATOM 0 HG22 THR A 84 -2.190 6.200 -0.767 1.00 0.18 H new ATOM 0 HG23 THR A 84 -3.031 6.714 0.714 1.00 0.18 H new ATOM 1389 N ILE A 85 -0.369 3.549 -0.592 1.00 0.23 N ATOM 1390 CA ILE A 85 -0.447 2.776 -1.861 1.00 0.27 C ATOM 1391 C ILE A 85 -0.872 1.339 -1.567 1.00 0.29 C ATOM 1392 O ILE A 85 -1.791 0.817 -2.167 1.00 0.31 O ATOM 1393 CB ILE A 85 0.926 2.770 -2.537 1.00 0.29 C ATOM 1394 CG1 ILE A 85 1.279 4.202 -2.960 1.00 0.31 C ATOM 1395 CG2 ILE A 85 0.892 1.842 -3.761 1.00 0.32 C ATOM 1396 CD1 ILE A 85 2.727 4.259 -3.453 1.00 0.61 C ATOM 0 H ILE A 85 0.574 3.797 -0.293 1.00 0.23 H new ATOM 0 HA ILE A 85 -1.180 3.241 -2.520 1.00 0.27 H new ATOM 0 HB ILE A 85 1.683 2.404 -1.844 1.00 0.29 H new ATOM 0 HG12 ILE A 85 0.604 4.534 -3.749 1.00 0.31 H new ATOM 0 HG13 ILE A 85 1.145 4.882 -2.119 1.00 0.31 H new ATOM 0 HG21 ILE A 85 1.870 1.838 -4.242 1.00 0.32 H new ATOM 0 HG22 ILE A 85 0.640 0.830 -3.444 1.00 0.32 H new ATOM 0 HG23 ILE A 85 0.142 2.198 -4.467 1.00 0.32 H new ATOM 0 HD11 ILE A 85 2.970 5.279 -3.751 1.00 0.61 H new ATOM 0 HD12 ILE A 85 3.397 3.946 -2.652 1.00 0.61 H new ATOM 0 HD13 ILE A 85 2.847 3.593 -4.307 1.00 0.61 H new ATOM 1408 N GLY A 86 -0.219 0.700 -0.640 1.00 0.30 N ATOM 1409 CA GLY A 86 -0.596 -0.696 -0.308 1.00 0.33 C ATOM 1410 C GLY A 86 -2.027 -0.704 0.221 1.00 0.33 C ATOM 1411 O GLY A 86 -2.797 -1.595 -0.059 1.00 0.39 O ATOM 0 H GLY A 86 0.557 1.084 -0.100 1.00 0.30 H new ATOM 0 HA2 GLY A 86 -0.516 -1.329 -1.192 1.00 0.33 H new ATOM 0 HA3 GLY A 86 0.085 -1.104 0.439 1.00 0.33 H new ATOM 1415 N CYS A 87 -2.394 0.287 0.983 1.00 0.29 N ATOM 1416 CA CYS A 87 -3.775 0.327 1.528 1.00 0.30 C ATOM 1417 C CYS A 87 -4.776 0.596 0.400 1.00 0.35 C ATOM 1418 O CYS A 87 -5.895 0.123 0.430 1.00 0.42 O ATOM 1419 CB CYS A 87 -3.877 1.437 2.574 1.00 0.29 C ATOM 1420 SG CYS A 87 -2.891 0.989 4.025 1.00 1.29 S ATOM 0 H CYS A 87 -1.797 1.069 1.251 1.00 0.29 H new ATOM 0 HA CYS A 87 -4.005 -0.634 1.988 1.00 0.30 H new ATOM 0 HB2 CYS A 87 -3.522 2.379 2.156 1.00 0.29 H new ATOM 0 HB3 CYS A 87 -4.918 1.587 2.860 1.00 0.29 H new ATOM 0 HG CYS A 87 -1.654 1.341 3.835 1.00 1.29 H new ATOM 1426 N TYR A 88 -4.397 1.370 -0.584 1.00 0.33 N ATOM 1427 CA TYR A 88 -5.342 1.684 -1.694 1.00 0.40 C ATOM 1428 C TYR A 88 -5.650 0.431 -2.518 1.00 0.43 C ATOM 1429 O TYR A 88 -6.791 0.147 -2.826 1.00 0.52 O ATOM 1430 CB TYR A 88 -4.714 2.742 -2.605 1.00 0.46 C ATOM 1431 CG TYR A 88 -5.648 3.036 -3.757 1.00 0.48 C ATOM 1432 CD1 TYR A 88 -6.798 3.804 -3.542 1.00 1.24 C ATOM 1433 CD2 TYR A 88 -5.367 2.541 -5.038 1.00 1.37 C ATOM 1434 CE1 TYR A 88 -7.667 4.077 -4.605 1.00 1.28 C ATOM 1435 CE2 TYR A 88 -6.237 2.815 -6.101 1.00 1.37 C ATOM 1436 CZ TYR A 88 -7.387 3.583 -5.885 1.00 0.59 C ATOM 1437 OH TYR A 88 -8.245 3.853 -6.931 1.00 0.66 O ATOM 0 H TYR A 88 -3.474 1.797 -0.666 1.00 0.33 H new ATOM 0 HA TYR A 88 -6.272 2.057 -1.265 1.00 0.40 H new ATOM 0 HB2 TYR A 88 -4.518 3.653 -2.040 1.00 0.46 H new ATOM 0 HB3 TYR A 88 -3.754 2.389 -2.982 1.00 0.46 H new ATOM 0 HD1 TYR A 88 -7.015 4.186 -2.556 1.00 1.24 H new ATOM 0 HD2 TYR A 88 -4.480 1.948 -5.205 1.00 1.37 H new ATOM 0 HE1 TYR A 88 -8.554 4.669 -4.438 1.00 1.28 H new ATOM 0 HE2 TYR A 88 -6.020 2.433 -7.088 1.00 1.37 H new ATOM 0 HH TYR A 88 -7.903 3.437 -7.750 1.00 0.66 H new ATOM 1447 N LYS A 89 -4.648 -0.316 -2.890 1.00 0.43 N ATOM 1448 CA LYS A 89 -4.895 -1.539 -3.708 1.00 0.51 C ATOM 1449 C LYS A 89 -5.412 -2.673 -2.822 1.00 0.36 C ATOM 1450 O LYS A 89 -6.023 -3.611 -3.297 1.00 0.37 O ATOM 1451 CB LYS A 89 -3.586 -1.978 -4.371 1.00 0.70 C ATOM 1452 CG LYS A 89 -3.183 -0.966 -5.452 1.00 1.00 C ATOM 1453 CD LYS A 89 -2.009 -1.518 -6.287 1.00 1.24 C ATOM 1454 CE LYS A 89 -2.537 -2.369 -7.449 1.00 1.56 C ATOM 1455 NZ LYS A 89 -3.272 -1.495 -8.407 1.00 2.05 N ATOM 0 H LYS A 89 -3.670 -0.134 -2.664 1.00 0.43 H new ATOM 0 HA LYS A 89 -5.642 -1.311 -4.469 1.00 0.51 H new ATOM 0 HB2 LYS A 89 -2.798 -2.057 -3.622 1.00 0.70 H new ATOM 0 HB3 LYS A 89 -3.706 -2.967 -4.813 1.00 0.70 H new ATOM 0 HG2 LYS A 89 -4.034 -0.758 -6.101 1.00 1.00 H new ATOM 0 HG3 LYS A 89 -2.897 -0.022 -4.988 1.00 1.00 H new ATOM 0 HD2 LYS A 89 -1.410 -0.694 -6.674 1.00 1.24 H new ATOM 0 HD3 LYS A 89 -1.355 -2.119 -5.655 1.00 1.24 H new ATOM 0 HE2 LYS A 89 -1.710 -2.867 -7.955 1.00 1.56 H new ATOM 0 HE3 LYS A 89 -3.197 -3.150 -7.072 1.00 1.56 H new ATOM 0 HZ1 LYS A 89 -4.258 -1.818 -8.485 1.00 2.05 H new ATOM 0 HZ2 LYS A 89 -3.255 -0.513 -8.064 1.00 2.05 H new ATOM 0 HZ3 LYS A 89 -2.817 -1.544 -9.341 1.00 2.05 H new ATOM 1469 N LEU A 90 -5.142 -2.623 -1.548 1.00 0.32 N ATOM 1470 CA LEU A 90 -5.584 -3.724 -0.651 1.00 0.47 C ATOM 1471 C LEU A 90 -7.070 -3.615 -0.304 1.00 0.56 C ATOM 1472 O LEU A 90 -7.650 -4.598 0.117 1.00 0.89 O ATOM 1473 CB LEU A 90 -4.769 -3.673 0.653 1.00 0.55 C ATOM 1474 CG LEU A 90 -3.381 -4.299 0.444 1.00 0.57 C ATOM 1475 CD1 LEU A 90 -2.521 -4.030 1.683 1.00 0.71 C ATOM 1476 CD2 LEU A 90 -3.500 -5.817 0.207 1.00 0.56 C ATOM 0 H LEU A 90 -4.634 -1.867 -1.090 1.00 0.32 H new ATOM 0 HA LEU A 90 -5.423 -4.665 -1.176 1.00 0.47 H new ATOM 0 HB2 LEU A 90 -4.663 -2.639 0.982 1.00 0.55 H new ATOM 0 HB3 LEU A 90 -5.300 -4.206 1.442 1.00 0.55 H new ATOM 0 HG LEU A 90 -2.916 -3.852 -0.435 1.00 0.57 H new ATOM 0 HD11 LEU A 90 -1.534 -4.471 1.543 1.00 0.71 H new ATOM 0 HD12 LEU A 90 -2.421 -2.955 1.830 1.00 0.71 H new ATOM 0 HD13 LEU A 90 -2.996 -4.473 2.559 1.00 0.71 H new ATOM 0 HD21 LEU A 90 -2.507 -6.241 0.061 1.00 0.56 H new ATOM 0 HD22 LEU A 90 -3.971 -6.284 1.072 1.00 0.56 H new ATOM 0 HD23 LEU A 90 -4.107 -6.000 -0.680 1.00 0.56 H new ATOM 1488 N GLY A 91 -7.703 -2.453 -0.399 1.00 0.56 N ATOM 1489 CA GLY A 91 -9.148 -2.401 0.027 1.00 0.91 C ATOM 1490 C GLY A 91 -9.312 -1.592 1.313 1.00 0.69 C ATOM 1491 O GLY A 91 -10.413 -1.222 1.671 1.00 0.69 O ATOM 0 H GLY A 91 -7.301 -1.579 -0.737 1.00 0.56 H new ATOM 0 HA2 GLY A 91 -9.749 -1.955 -0.766 1.00 0.91 H new ATOM 0 HA3 GLY A 91 -9.522 -3.413 0.180 1.00 0.91 H new ATOM 1495 N GLU A 92 -8.247 -1.282 2.004 1.00 0.54 N ATOM 1496 CA GLU A 92 -8.379 -0.464 3.253 1.00 0.42 C ATOM 1497 C GLU A 92 -8.164 1.026 2.913 1.00 0.34 C ATOM 1498 O GLU A 92 -7.231 1.648 3.379 1.00 0.39 O ATOM 1499 CB GLU A 92 -7.332 -0.931 4.276 1.00 0.44 C ATOM 1500 CG GLU A 92 -7.136 -2.443 4.163 1.00 0.55 C ATOM 1501 CD GLU A 92 -6.313 -2.936 5.355 1.00 1.42 C ATOM 1502 OE1 GLU A 92 -5.097 -2.940 5.250 1.00 2.18 O ATOM 1503 OE2 GLU A 92 -6.912 -3.297 6.355 1.00 2.06 O ATOM 0 H GLU A 92 -7.295 -1.556 1.762 1.00 0.54 H new ATOM 0 HA GLU A 92 -9.375 -0.591 3.678 1.00 0.42 H new ATOM 0 HB2 GLU A 92 -6.386 -0.418 4.102 1.00 0.44 H new ATOM 0 HB3 GLU A 92 -7.654 -0.671 5.284 1.00 0.44 H new ATOM 0 HG2 GLU A 92 -8.103 -2.946 4.141 1.00 0.55 H new ATOM 0 HG3 GLU A 92 -6.628 -2.687 3.230 1.00 0.55 H new ATOM 1510 N TYR A 93 -9.006 1.588 2.076 1.00 0.33 N ATOM 1511 CA TYR A 93 -8.815 3.021 1.691 1.00 0.31 C ATOM 1512 C TYR A 93 -9.055 3.930 2.902 1.00 0.25 C ATOM 1513 O TYR A 93 -8.598 5.056 2.934 1.00 0.27 O ATOM 1514 CB TYR A 93 -9.763 3.428 0.542 1.00 0.41 C ATOM 1515 CG TYR A 93 -10.290 2.208 -0.174 1.00 0.53 C ATOM 1516 CD1 TYR A 93 -11.464 1.589 0.274 1.00 1.28 C ATOM 1517 CD2 TYR A 93 -9.620 1.711 -1.296 1.00 1.42 C ATOM 1518 CE1 TYR A 93 -11.965 0.470 -0.400 1.00 1.35 C ATOM 1519 CE2 TYR A 93 -10.124 0.593 -1.972 1.00 1.57 C ATOM 1520 CZ TYR A 93 -11.296 -0.026 -1.524 1.00 0.95 C ATOM 1521 OH TYR A 93 -11.792 -1.128 -2.190 1.00 1.19 O ATOM 0 H TYR A 93 -9.807 1.122 1.649 1.00 0.33 H new ATOM 0 HA TYR A 93 -7.788 3.137 1.344 1.00 0.31 H new ATOM 0 HB2 TYR A 93 -10.595 4.010 0.939 1.00 0.41 H new ATOM 0 HB3 TYR A 93 -9.233 4.069 -0.163 1.00 0.41 H new ATOM 0 HD1 TYR A 93 -11.982 1.975 1.139 1.00 1.28 H new ATOM 0 HD2 TYR A 93 -8.715 2.189 -1.641 1.00 1.42 H new ATOM 0 HE1 TYR A 93 -12.868 -0.011 -0.053 1.00 1.35 H new ATOM 0 HE2 TYR A 93 -9.608 0.209 -2.839 1.00 1.57 H new ATOM 0 HH TYR A 93 -11.209 -1.342 -2.948 1.00 1.19 H new ATOM 1531 N SER A 94 -9.751 3.468 3.903 1.00 0.24 N ATOM 1532 CA SER A 94 -9.989 4.333 5.094 1.00 0.28 C ATOM 1533 C SER A 94 -8.651 4.717 5.716 1.00 0.29 C ATOM 1534 O SER A 94 -8.429 5.848 6.091 1.00 0.39 O ATOM 1535 CB SER A 94 -10.826 3.567 6.120 1.00 0.30 C ATOM 1536 OG SER A 94 -10.039 2.528 6.688 1.00 1.12 O ATOM 0 H SER A 94 -10.163 2.536 3.949 1.00 0.24 H new ATOM 0 HA SER A 94 -10.522 5.234 4.790 1.00 0.28 H new ATOM 0 HB2 SER A 94 -11.174 4.244 6.901 1.00 0.30 H new ATOM 0 HB3 SER A 94 -11.712 3.148 5.643 1.00 0.30 H new ATOM 0 HG SER A 94 -10.572 2.037 7.347 1.00 1.12 H new ATOM 1542 N MET A 95 -7.760 3.779 5.827 1.00 0.27 N ATOM 1543 CA MET A 95 -6.430 4.073 6.427 1.00 0.36 C ATOM 1544 C MET A 95 -5.591 4.852 5.416 1.00 0.26 C ATOM 1545 O MET A 95 -4.783 5.687 5.773 1.00 0.26 O ATOM 1546 CB MET A 95 -5.731 2.748 6.789 1.00 0.48 C ATOM 1547 CG MET A 95 -6.774 1.640 6.947 1.00 0.81 C ATOM 1548 SD MET A 95 -6.088 0.300 7.951 1.00 1.25 S ATOM 1549 CE MET A 95 -6.090 1.167 9.544 1.00 0.83 C ATOM 0 H MET A 95 -7.894 2.814 5.527 1.00 0.27 H new ATOM 0 HA MET A 95 -6.549 4.669 7.332 1.00 0.36 H new ATOM 0 HB2 MET A 95 -5.016 2.479 6.012 1.00 0.48 H new ATOM 0 HB3 MET A 95 -5.167 2.864 7.715 1.00 0.48 H new ATOM 0 HG2 MET A 95 -7.673 2.037 7.418 1.00 0.81 H new ATOM 0 HG3 MET A 95 -7.068 1.261 5.968 1.00 0.81 H new ATOM 0 HE1 MET A 95 -6.450 0.495 10.323 1.00 0.83 H new ATOM 0 HE2 MET A 95 -5.077 1.490 9.783 1.00 0.83 H new ATOM 0 HE3 MET A 95 -6.744 2.037 9.484 1.00 0.83 H new ATOM 1559 N ALA A 96 -5.781 4.588 4.155 1.00 0.23 N ATOM 1560 CA ALA A 96 -5.001 5.318 3.126 1.00 0.20 C ATOM 1561 C ALA A 96 -5.303 6.809 3.257 1.00 0.18 C ATOM 1562 O ALA A 96 -4.412 7.636 3.262 1.00 0.19 O ATOM 1563 CB ALA A 96 -5.396 4.816 1.733 1.00 0.23 C ATOM 0 H ALA A 96 -6.442 3.899 3.795 1.00 0.23 H new ATOM 0 HA ALA A 96 -3.934 5.148 3.267 1.00 0.20 H new ATOM 0 HB1 ALA A 96 -4.823 5.352 0.977 1.00 0.23 H new ATOM 0 HB2 ALA A 96 -5.187 3.749 1.658 1.00 0.23 H new ATOM 0 HB3 ALA A 96 -6.460 4.989 1.572 1.00 0.23 H new ATOM 1569 N LYS A 97 -6.556 7.160 3.353 1.00 0.19 N ATOM 1570 CA LYS A 97 -6.923 8.598 3.477 1.00 0.21 C ATOM 1571 C LYS A 97 -6.276 9.199 4.724 1.00 0.21 C ATOM 1572 O LYS A 97 -5.780 10.308 4.699 1.00 0.22 O ATOM 1573 CB LYS A 97 -8.442 8.731 3.590 1.00 0.29 C ATOM 1574 CG LYS A 97 -8.820 10.213 3.675 1.00 0.44 C ATOM 1575 CD LYS A 97 -10.328 10.379 3.458 1.00 0.78 C ATOM 1576 CE LYS A 97 -11.100 9.686 4.586 1.00 1.07 C ATOM 1577 NZ LYS A 97 -12.509 10.171 4.593 1.00 2.10 N ATOM 0 H LYS A 97 -7.343 6.511 3.351 1.00 0.19 H new ATOM 0 HA LYS A 97 -6.569 9.129 2.594 1.00 0.21 H new ATOM 0 HB2 LYS A 97 -8.923 8.271 2.727 1.00 0.29 H new ATOM 0 HB3 LYS A 97 -8.799 8.202 4.474 1.00 0.29 H new ATOM 0 HG2 LYS A 97 -8.537 10.614 4.648 1.00 0.44 H new ATOM 0 HG3 LYS A 97 -8.271 10.781 2.924 1.00 0.44 H new ATOM 0 HD2 LYS A 97 -10.585 11.438 3.428 1.00 0.78 H new ATOM 0 HD3 LYS A 97 -10.614 9.954 2.496 1.00 0.78 H new ATOM 0 HE2 LYS A 97 -11.077 8.605 4.447 1.00 1.07 H new ATOM 0 HE3 LYS A 97 -10.628 9.894 5.546 1.00 1.07 H new ATOM 0 HZ1 LYS A 97 -13.034 9.701 5.358 1.00 2.10 H new ATOM 0 HZ2 LYS A 97 -12.521 11.200 4.745 1.00 2.10 H new ATOM 0 HZ3 LYS A 97 -12.956 9.951 3.680 1.00 2.10 H new ATOM 1591 N ARG A 98 -6.291 8.510 5.831 1.00 0.22 N ATOM 1592 CA ARG A 98 -5.687 9.089 7.068 1.00 0.25 C ATOM 1593 C ARG A 98 -4.173 9.239 6.905 1.00 0.20 C ATOM 1594 O ARG A 98 -3.589 10.208 7.346 1.00 0.21 O ATOM 1595 CB ARG A 98 -5.972 8.162 8.255 1.00 0.33 C ATOM 1596 CG ARG A 98 -7.486 8.010 8.445 1.00 1.18 C ATOM 1597 CD ARG A 98 -7.786 7.070 9.631 1.00 1.28 C ATOM 1598 NE ARG A 98 -8.952 6.207 9.292 1.00 1.90 N ATOM 1599 CZ ARG A 98 -9.220 5.156 10.019 1.00 2.29 C ATOM 1600 NH1 ARG A 98 -8.476 4.871 11.053 1.00 2.29 N ATOM 1601 NH2 ARG A 98 -10.232 4.391 9.713 1.00 3.20 N ATOM 0 H ARG A 98 -6.692 7.578 5.935 1.00 0.22 H new ATOM 0 HA ARG A 98 -6.125 10.071 7.244 1.00 0.25 H new ATOM 0 HB2 ARG A 98 -5.518 7.186 8.083 1.00 0.33 H new ATOM 0 HB3 ARG A 98 -5.522 8.568 9.161 1.00 0.33 H new ATOM 0 HG2 ARG A 98 -7.937 8.986 8.623 1.00 1.18 H new ATOM 0 HG3 ARG A 98 -7.935 7.613 7.535 1.00 1.18 H new ATOM 0 HD2 ARG A 98 -6.914 6.454 9.851 1.00 1.28 H new ATOM 0 HD3 ARG A 98 -7.999 7.653 10.527 1.00 1.28 H new ATOM 0 HE ARG A 98 -9.541 6.437 8.492 1.00 1.90 H new ATOM 0 HH11 ARG A 98 -7.685 5.469 11.293 1.00 2.29 H new ATOM 0 HH12 ARG A 98 -8.685 4.050 11.621 1.00 2.29 H new ATOM 0 HH21 ARG A 98 -10.814 4.614 8.906 1.00 3.20 H new ATOM 0 HH22 ARG A 98 -10.441 3.570 10.281 1.00 3.20 H new ATOM 1615 N TYR A 99 -3.524 8.287 6.291 1.00 0.21 N ATOM 1616 CA TYR A 99 -2.046 8.392 6.126 1.00 0.22 C ATOM 1617 C TYR A 99 -1.711 9.450 5.071 1.00 0.19 C ATOM 1618 O TYR A 99 -0.855 10.287 5.278 1.00 0.21 O ATOM 1619 CB TYR A 99 -1.465 7.034 5.700 1.00 0.27 C ATOM 1620 CG TYR A 99 -1.833 5.941 6.696 1.00 0.29 C ATOM 1621 CD1 TYR A 99 -1.767 6.172 8.084 1.00 1.17 C ATOM 1622 CD2 TYR A 99 -2.228 4.678 6.226 1.00 1.32 C ATOM 1623 CE1 TYR A 99 -2.097 5.153 8.982 1.00 1.18 C ATOM 1624 CE2 TYR A 99 -2.555 3.660 7.132 1.00 1.34 C ATOM 1625 CZ TYR A 99 -2.491 3.899 8.507 1.00 0.40 C ATOM 1626 OH TYR A 99 -2.812 2.895 9.398 1.00 0.47 O ATOM 0 H TYR A 99 -3.949 7.447 5.899 1.00 0.21 H new ATOM 0 HA TYR A 99 -1.606 8.685 7.079 1.00 0.22 H new ATOM 0 HB2 TYR A 99 -1.839 6.769 4.711 1.00 0.27 H new ATOM 0 HB3 TYR A 99 -0.380 7.108 5.621 1.00 0.27 H new ATOM 0 HD1 TYR A 99 -1.461 7.139 8.455 1.00 1.17 H new ATOM 0 HD2 TYR A 99 -2.280 4.491 5.164 1.00 1.32 H new ATOM 0 HE1 TYR A 99 -2.047 5.335 10.045 1.00 1.18 H new ATOM 0 HE2 TYR A 99 -2.857 2.689 6.767 1.00 1.34 H new ATOM 0 HH TYR A 99 -3.066 2.088 8.904 1.00 0.47 H new ATOM 1636 N VAL A 100 -2.363 9.424 3.942 1.00 0.18 N ATOM 1637 CA VAL A 100 -2.052 10.438 2.892 1.00 0.19 C ATOM 1638 C VAL A 100 -2.393 11.837 3.420 1.00 0.21 C ATOM 1639 O VAL A 100 -1.707 12.801 3.143 1.00 0.22 O ATOM 1640 CB VAL A 100 -2.855 10.129 1.612 1.00 0.19 C ATOM 1641 CG1 VAL A 100 -4.277 10.695 1.712 1.00 0.22 C ATOM 1642 CG2 VAL A 100 -2.150 10.749 0.400 1.00 0.20 C ATOM 0 H VAL A 100 -3.091 8.752 3.701 1.00 0.18 H new ATOM 0 HA VAL A 100 -0.990 10.402 2.649 1.00 0.19 H new ATOM 0 HB VAL A 100 -2.914 9.047 1.496 1.00 0.19 H new ATOM 0 HG11 VAL A 100 -4.825 10.465 0.798 1.00 0.22 H new ATOM 0 HG12 VAL A 100 -4.788 10.247 2.564 1.00 0.22 H new ATOM 0 HG13 VAL A 100 -4.230 11.776 1.845 1.00 0.22 H new ATOM 0 HG21 VAL A 100 -2.719 10.530 -0.503 1.00 0.20 H new ATOM 0 HG22 VAL A 100 -2.081 11.829 0.532 1.00 0.20 H new ATOM 0 HG23 VAL A 100 -1.148 10.330 0.308 1.00 0.20 H new ATOM 1652 N ASP A 101 -3.448 11.952 4.181 1.00 0.23 N ATOM 1653 CA ASP A 101 -3.829 13.284 4.727 1.00 0.27 C ATOM 1654 C ASP A 101 -2.681 13.820 5.583 1.00 0.26 C ATOM 1655 O ASP A 101 -2.303 14.971 5.484 1.00 0.29 O ATOM 1656 CB ASP A 101 -5.090 13.139 5.584 1.00 0.30 C ATOM 1657 CG ASP A 101 -5.495 14.506 6.139 1.00 0.97 C ATOM 1658 OD1 ASP A 101 -5.075 15.502 5.575 1.00 1.79 O ATOM 1659 OD2 ASP A 101 -6.221 14.533 7.120 1.00 1.60 O ATOM 0 H ASP A 101 -4.061 11.182 4.447 1.00 0.23 H new ATOM 0 HA ASP A 101 -4.028 13.977 3.910 1.00 0.27 H new ATOM 0 HB2 ASP A 101 -5.902 12.723 4.987 1.00 0.30 H new ATOM 0 HB3 ASP A 101 -4.907 12.443 6.403 1.00 0.30 H new ATOM 1664 N THR A 102 -2.130 12.998 6.434 1.00 0.25 N ATOM 1665 CA THR A 102 -1.013 13.458 7.307 1.00 0.26 C ATOM 1666 C THR A 102 0.211 13.805 6.454 1.00 0.26 C ATOM 1667 O THR A 102 0.850 14.818 6.657 1.00 0.27 O ATOM 1668 CB THR A 102 -0.649 12.339 8.290 1.00 0.27 C ATOM 1669 OG1 THR A 102 -1.762 12.070 9.131 1.00 0.32 O ATOM 1670 CG2 THR A 102 0.545 12.769 9.145 1.00 0.29 C ATOM 0 H THR A 102 -2.406 12.025 6.563 1.00 0.25 H new ATOM 0 HA THR A 102 -1.327 14.346 7.856 1.00 0.26 H new ATOM 0 HB THR A 102 -0.386 11.440 7.732 1.00 0.27 H new ATOM 0 HG1 THR A 102 -2.397 11.492 8.659 1.00 0.32 H new ATOM 0 HG21 THR A 102 0.800 11.971 9.842 1.00 0.29 H new ATOM 0 HG22 THR A 102 1.399 12.974 8.500 1.00 0.29 H new ATOM 0 HG23 THR A 102 0.287 13.669 9.703 1.00 0.29 H new ATOM 1678 N LEU A 103 0.554 12.969 5.512 1.00 0.25 N ATOM 1679 CA LEU A 103 1.748 13.254 4.666 1.00 0.27 C ATOM 1680 C LEU A 103 1.479 14.462 3.765 1.00 0.29 C ATOM 1681 O LEU A 103 2.294 15.358 3.662 1.00 0.31 O ATOM 1682 CB LEU A 103 2.073 12.026 3.803 1.00 0.29 C ATOM 1683 CG LEU A 103 3.474 12.174 3.170 1.00 0.34 C ATOM 1684 CD1 LEU A 103 4.558 11.728 4.160 1.00 0.36 C ATOM 1685 CD2 LEU A 103 3.565 11.299 1.915 1.00 0.41 C ATOM 0 H LEU A 103 0.061 12.104 5.292 1.00 0.25 H new ATOM 0 HA LEU A 103 2.596 13.478 5.313 1.00 0.27 H new ATOM 0 HB2 LEU A 103 2.035 11.124 4.413 1.00 0.29 H new ATOM 0 HB3 LEU A 103 1.323 11.914 3.021 1.00 0.29 H new ATOM 0 HG LEU A 103 3.629 13.222 2.912 1.00 0.34 H new ATOM 0 HD11 LEU A 103 5.539 11.838 3.699 1.00 0.36 H new ATOM 0 HD12 LEU A 103 4.507 12.345 5.057 1.00 0.36 H new ATOM 0 HD13 LEU A 103 4.398 10.684 4.428 1.00 0.36 H new ATOM 0 HD21 LEU A 103 4.554 11.404 1.469 1.00 0.41 H new ATOM 0 HD22 LEU A 103 3.398 10.256 2.185 1.00 0.41 H new ATOM 0 HD23 LEU A 103 2.808 11.613 1.197 1.00 0.41 H new ATOM 1697 N PHE A 104 0.357 14.498 3.100 1.00 0.29 N ATOM 1698 CA PHE A 104 0.066 15.655 2.202 1.00 0.32 C ATOM 1699 C PHE A 104 0.078 16.955 3.011 1.00 0.37 C ATOM 1700 O PHE A 104 0.407 18.008 2.501 1.00 0.41 O ATOM 1701 CB PHE A 104 -1.311 15.462 1.551 1.00 0.33 C ATOM 1702 CG PHE A 104 -1.709 16.718 0.802 1.00 0.40 C ATOM 1703 CD1 PHE A 104 -1.020 17.086 -0.360 1.00 1.23 C ATOM 1704 CD2 PHE A 104 -2.765 17.515 1.269 1.00 1.17 C ATOM 1705 CE1 PHE A 104 -1.384 18.246 -1.055 1.00 1.29 C ATOM 1706 CE2 PHE A 104 -3.128 18.676 0.574 1.00 1.19 C ATOM 1707 CZ PHE A 104 -2.437 19.041 -0.587 1.00 0.60 C ATOM 0 H PHE A 104 -0.368 13.782 3.138 1.00 0.29 H new ATOM 0 HA PHE A 104 0.829 15.712 1.426 1.00 0.32 H new ATOM 0 HB2 PHE A 104 -1.284 14.614 0.867 1.00 0.33 H new ATOM 0 HB3 PHE A 104 -2.055 15.232 2.314 1.00 0.33 H new ATOM 0 HD1 PHE A 104 -0.206 16.474 -0.721 1.00 1.23 H new ATOM 0 HD2 PHE A 104 -3.298 17.233 2.165 1.00 1.17 H new ATOM 0 HE1 PHE A 104 -0.852 18.527 -1.952 1.00 1.29 H new ATOM 0 HE2 PHE A 104 -3.941 19.289 0.934 1.00 1.19 H new ATOM 0 HZ PHE A 104 -2.716 19.937 -1.122 1.00 0.60 H new ATOM 1717 N GLU A 105 -0.279 16.898 4.265 1.00 0.42 N ATOM 1718 CA GLU A 105 -0.285 18.138 5.086 1.00 0.52 C ATOM 1719 C GLU A 105 1.136 18.703 5.146 1.00 0.56 C ATOM 1720 O GLU A 105 1.327 19.903 5.119 1.00 0.61 O ATOM 1721 CB GLU A 105 -0.796 17.811 6.494 1.00 0.58 C ATOM 1722 CG GLU A 105 -1.139 19.101 7.240 1.00 1.20 C ATOM 1723 CD GLU A 105 -2.347 19.775 6.586 1.00 1.75 C ATOM 1724 OE1 GLU A 105 -3.240 19.062 6.159 1.00 2.31 O ATOM 1725 OE2 GLU A 105 -2.357 20.993 6.521 1.00 2.47 O ATOM 0 H GLU A 105 -0.565 16.049 4.753 1.00 0.42 H new ATOM 0 HA GLU A 105 -0.944 18.883 4.640 1.00 0.52 H new ATOM 0 HB2 GLU A 105 -1.677 17.173 6.431 1.00 0.58 H new ATOM 0 HB3 GLU A 105 -0.038 17.254 7.044 1.00 0.58 H new ATOM 0 HG2 GLU A 105 -1.356 18.880 8.285 1.00 1.20 H new ATOM 0 HG3 GLU A 105 -0.284 19.777 7.228 1.00 1.20 H new ATOM 1838 N GLN A 112 3.352 13.760 -7.367 1.00 0.54 N ATOM 1839 CA GLN A 112 2.894 12.346 -7.234 1.00 0.49 C ATOM 1840 C GLN A 112 2.108 12.186 -5.933 1.00 0.39 C ATOM 1841 O GLN A 112 1.177 11.411 -5.843 1.00 0.37 O ATOM 1842 CB GLN A 112 4.119 11.426 -7.209 1.00 0.54 C ATOM 1843 CG GLN A 112 4.950 11.711 -5.953 1.00 1.05 C ATOM 1844 CD GLN A 112 6.352 11.115 -6.112 1.00 1.82 C ATOM 1845 OE1 GLN A 112 6.573 10.266 -6.952 1.00 2.54 O ATOM 1846 NE2 GLN A 112 7.315 11.529 -5.334 1.00 2.56 N ATOM 0 HA GLN A 112 2.253 12.084 -8.076 1.00 0.49 H new ATOM 0 HB2 GLN A 112 3.803 10.383 -7.220 1.00 0.54 H new ATOM 0 HB3 GLN A 112 4.724 11.585 -8.102 1.00 0.54 H new ATOM 0 HG2 GLN A 112 5.019 12.786 -5.787 1.00 1.05 H new ATOM 0 HG3 GLN A 112 4.461 11.284 -5.077 1.00 1.05 H new ATOM 0 HE21 GLN A 112 7.130 12.242 -4.628 1.00 2.56 H new ATOM 0 HE22 GLN A 112 8.253 11.140 -5.432 1.00 2.56 H new ATOM 1855 N VAL A 113 2.469 12.935 -4.933 1.00 0.37 N ATOM 1856 CA VAL A 113 1.742 12.858 -3.635 1.00 0.32 C ATOM 1857 C VAL A 113 0.352 13.460 -3.849 1.00 0.32 C ATOM 1858 O VAL A 113 -0.651 12.918 -3.432 1.00 0.30 O ATOM 1859 CB VAL A 113 2.516 13.656 -2.578 1.00 0.35 C ATOM 1860 CG1 VAL A 113 1.717 13.711 -1.275 1.00 0.41 C ATOM 1861 CG2 VAL A 113 3.865 12.977 -2.319 1.00 0.40 C ATOM 0 H VAL A 113 3.241 13.602 -4.957 1.00 0.37 H new ATOM 0 HA VAL A 113 1.652 11.828 -3.291 1.00 0.32 H new ATOM 0 HB VAL A 113 2.676 14.671 -2.941 1.00 0.35 H new ATOM 0 HG11 VAL A 113 2.274 14.279 -0.530 1.00 0.41 H new ATOM 0 HG12 VAL A 113 0.757 14.194 -1.457 1.00 0.41 H new ATOM 0 HG13 VAL A 113 1.550 12.698 -0.908 1.00 0.41 H new ATOM 0 HG21 VAL A 113 4.418 13.541 -1.568 1.00 0.40 H new ATOM 0 HG22 VAL A 113 3.698 11.962 -1.960 1.00 0.40 H new ATOM 0 HG23 VAL A 113 4.440 12.944 -3.245 1.00 0.40 H new ATOM 1871 N GLY A 114 0.308 14.580 -4.514 1.00 0.37 N ATOM 1872 CA GLY A 114 -1.000 15.239 -4.790 1.00 0.40 C ATOM 1873 C GLY A 114 -1.835 14.323 -5.693 1.00 0.38 C ATOM 1874 O GLY A 114 -3.042 14.250 -5.588 1.00 0.38 O ATOM 0 H GLY A 114 1.124 15.070 -4.880 1.00 0.37 H new ATOM 0 HA2 GLY A 114 -1.529 15.433 -3.857 1.00 0.40 H new ATOM 0 HA3 GLY A 114 -0.842 16.203 -5.273 1.00 0.40 H new ATOM 1878 N ALA A 115 -1.195 13.618 -6.581 1.00 0.38 N ATOM 1879 CA ALA A 115 -1.939 12.699 -7.486 1.00 0.38 C ATOM 1880 C ALA A 115 -2.294 11.413 -6.724 1.00 0.33 C ATOM 1881 O ALA A 115 -3.320 10.796 -6.967 1.00 0.34 O ATOM 1882 CB ALA A 115 -1.063 12.370 -8.695 1.00 0.43 C ATOM 0 H ALA A 115 -0.185 13.638 -6.720 1.00 0.38 H new ATOM 0 HA ALA A 115 -2.858 13.174 -7.828 1.00 0.38 H new ATOM 0 HB1 ALA A 115 -1.602 11.697 -9.362 1.00 0.43 H new ATOM 0 HB2 ALA A 115 -0.817 13.289 -9.227 1.00 0.43 H new ATOM 0 HB3 ALA A 115 -0.145 11.889 -8.359 1.00 0.43 H new ATOM 1888 N LEU A 116 -1.470 11.000 -5.804 1.00 0.31 N ATOM 1889 CA LEU A 116 -1.783 9.757 -5.046 1.00 0.29 C ATOM 1890 C LEU A 116 -3.073 9.962 -4.245 1.00 0.26 C ATOM 1891 O LEU A 116 -3.959 9.130 -4.267 1.00 0.25 O ATOM 1892 CB LEU A 116 -0.620 9.431 -4.100 1.00 0.32 C ATOM 1893 CG LEU A 116 -0.966 8.230 -3.206 1.00 0.27 C ATOM 1894 CD1 LEU A 116 -1.305 7.004 -4.067 1.00 0.49 C ATOM 1895 CD2 LEU A 116 0.239 7.910 -2.317 1.00 0.68 C ATOM 0 H LEU A 116 -0.600 11.464 -5.545 1.00 0.31 H new ATOM 0 HA LEU A 116 -1.922 8.927 -5.738 1.00 0.29 H new ATOM 0 HB2 LEU A 116 0.277 9.212 -4.680 1.00 0.32 H new ATOM 0 HB3 LEU A 116 -0.395 10.299 -3.480 1.00 0.32 H new ATOM 0 HG LEU A 116 -1.832 8.477 -2.591 1.00 0.27 H new ATOM 0 HD11 LEU A 116 -1.548 6.161 -3.420 1.00 0.49 H new ATOM 0 HD12 LEU A 116 -2.160 7.231 -4.703 1.00 0.49 H new ATOM 0 HD13 LEU A 116 -0.448 6.748 -4.690 1.00 0.49 H new ATOM 0 HD21 LEU A 116 0.004 7.059 -1.678 1.00 0.68 H new ATOM 0 HD22 LEU A 116 1.098 7.668 -2.942 1.00 0.68 H new ATOM 0 HD23 LEU A 116 0.474 8.775 -1.697 1.00 0.68 H new ATOM 1907 N LYS A 117 -3.187 11.045 -3.520 1.00 0.27 N ATOM 1908 CA LYS A 117 -4.426 11.251 -2.718 1.00 0.28 C ATOM 1909 C LYS A 117 -5.625 11.301 -3.664 1.00 0.28 C ATOM 1910 O LYS A 117 -6.712 10.871 -3.334 1.00 0.29 O ATOM 1911 CB LYS A 117 -4.325 12.554 -1.890 1.00 0.33 C ATOM 1912 CG LYS A 117 -4.539 13.794 -2.776 1.00 0.78 C ATOM 1913 CD LYS A 117 -4.567 15.059 -1.910 1.00 0.86 C ATOM 1914 CE LYS A 117 -4.753 16.296 -2.805 1.00 1.44 C ATOM 1915 NZ LYS A 117 -5.426 17.375 -2.028 1.00 2.16 N ATOM 0 H LYS A 117 -2.487 11.784 -3.450 1.00 0.27 H new ATOM 0 HA LYS A 117 -4.552 10.424 -2.019 1.00 0.28 H new ATOM 0 HB2 LYS A 117 -5.069 12.540 -1.093 1.00 0.33 H new ATOM 0 HB3 LYS A 117 -3.347 12.610 -1.412 1.00 0.33 H new ATOM 0 HG2 LYS A 117 -3.740 13.866 -3.514 1.00 0.78 H new ATOM 0 HG3 LYS A 117 -5.475 13.700 -3.327 1.00 0.78 H new ATOM 0 HD2 LYS A 117 -5.379 14.997 -1.185 1.00 0.86 H new ATOM 0 HD3 LYS A 117 -3.640 15.144 -1.344 1.00 0.86 H new ATOM 0 HE2 LYS A 117 -3.786 16.644 -3.168 1.00 1.44 H new ATOM 0 HE3 LYS A 117 -5.349 16.038 -3.681 1.00 1.44 H new ATOM 0 HZ1 LYS A 117 -5.689 18.151 -2.668 1.00 2.16 H new ATOM 0 HZ2 LYS A 117 -6.281 16.995 -1.575 1.00 2.16 H new ATOM 0 HZ3 LYS A 117 -4.778 17.733 -1.298 1.00 2.16 H new ATOM 1929 N SER A 118 -5.437 11.855 -4.835 1.00 0.29 N ATOM 1930 CA SER A 118 -6.566 11.966 -5.800 1.00 0.31 C ATOM 1931 C SER A 118 -7.188 10.594 -6.061 1.00 0.29 C ATOM 1932 O SER A 118 -8.387 10.478 -6.219 1.00 0.30 O ATOM 1933 CB SER A 118 -6.059 12.550 -7.118 1.00 0.34 C ATOM 1934 OG SER A 118 -7.170 12.895 -7.934 1.00 1.35 O ATOM 0 H SER A 118 -4.549 12.235 -5.162 1.00 0.29 H new ATOM 0 HA SER A 118 -7.325 12.621 -5.372 1.00 0.31 H new ATOM 0 HB2 SER A 118 -5.445 13.430 -6.927 1.00 0.34 H new ATOM 0 HB3 SER A 118 -5.427 11.826 -7.631 1.00 0.34 H new ATOM 0 HG SER A 118 -6.850 13.272 -8.780 1.00 1.35 H new ATOM 1940 N MET A 119 -6.411 9.543 -6.082 1.00 0.26 N ATOM 1941 CA MET A 119 -7.015 8.191 -6.311 1.00 0.25 C ATOM 1942 C MET A 119 -7.757 7.763 -5.037 1.00 0.23 C ATOM 1943 O MET A 119 -8.873 7.286 -5.080 1.00 0.24 O ATOM 1944 CB MET A 119 -5.899 7.181 -6.638 1.00 0.26 C ATOM 1945 CG MET A 119 -5.596 7.205 -8.141 1.00 0.61 C ATOM 1946 SD MET A 119 -5.072 8.872 -8.626 1.00 1.03 S ATOM 1947 CE MET A 119 -3.311 8.521 -8.860 1.00 0.69 C ATOM 0 H MET A 119 -5.399 9.557 -5.953 1.00 0.26 H new ATOM 0 HA MET A 119 -7.714 8.226 -7.147 1.00 0.25 H new ATOM 0 HB2 MET A 119 -4.999 7.425 -6.073 1.00 0.26 H new ATOM 0 HB3 MET A 119 -6.204 6.179 -6.336 1.00 0.26 H new ATOM 0 HG2 MET A 119 -4.814 6.483 -8.377 1.00 0.61 H new ATOM 0 HG3 MET A 119 -6.481 6.912 -8.706 1.00 0.61 H new ATOM 0 HE1 MET A 119 -2.796 9.432 -9.166 1.00 0.69 H new ATOM 0 HE2 MET A 119 -2.884 8.160 -7.924 1.00 0.69 H new ATOM 0 HE3 MET A 119 -3.191 7.760 -9.631 1.00 0.69 H new ATOM 1957 N VAL A 120 -7.144 7.964 -3.907 1.00 0.21 N ATOM 1958 CA VAL A 120 -7.785 7.622 -2.604 1.00 0.20 C ATOM 1959 C VAL A 120 -9.065 8.440 -2.408 1.00 0.22 C ATOM 1960 O VAL A 120 -10.114 7.896 -2.121 1.00 0.22 O ATOM 1961 CB VAL A 120 -6.812 7.966 -1.474 1.00 0.20 C ATOM 1962 CG1 VAL A 120 -7.423 7.551 -0.132 1.00 0.20 C ATOM 1963 CG2 VAL A 120 -5.501 7.206 -1.689 1.00 0.23 C ATOM 0 H VAL A 120 -6.207 8.359 -3.827 1.00 0.21 H new ATOM 0 HA VAL A 120 -8.032 6.560 -2.596 1.00 0.20 H new ATOM 0 HB VAL A 120 -6.619 9.039 -1.471 1.00 0.20 H new ATOM 0 HG11 VAL A 120 -6.731 7.795 0.674 1.00 0.20 H new ATOM 0 HG12 VAL A 120 -8.361 8.084 0.021 1.00 0.20 H new ATOM 0 HG13 VAL A 120 -7.612 6.478 -0.135 1.00 0.20 H new ATOM 0 HG21 VAL A 120 -4.804 7.448 -0.886 1.00 0.23 H new ATOM 0 HG22 VAL A 120 -5.698 6.134 -1.688 1.00 0.23 H new ATOM 0 HG23 VAL A 120 -5.066 7.494 -2.646 1.00 0.23 H new ATOM 1973 N GLU A 121 -8.999 9.734 -2.543 1.00 0.25 N ATOM 1974 CA GLU A 121 -10.227 10.556 -2.343 1.00 0.29 C ATOM 1975 C GLU A 121 -11.238 10.254 -3.450 1.00 0.28 C ATOM 1976 O GLU A 121 -12.434 10.297 -3.239 1.00 0.31 O ATOM 1977 CB GLU A 121 -9.861 12.041 -2.373 1.00 0.35 C ATOM 1978 CG GLU A 121 -8.950 12.365 -1.187 1.00 1.07 C ATOM 1979 CD GLU A 121 -8.522 13.832 -1.254 1.00 1.63 C ATOM 1980 OE1 GLU A 121 -7.994 14.228 -2.281 1.00 2.20 O ATOM 1981 OE2 GLU A 121 -8.729 14.535 -0.279 1.00 2.27 O ATOM 0 H GLU A 121 -8.156 10.256 -2.781 1.00 0.25 H new ATOM 0 HA GLU A 121 -10.669 10.312 -1.377 1.00 0.29 H new ATOM 0 HB2 GLU A 121 -9.358 12.284 -3.309 1.00 0.35 H new ATOM 0 HB3 GLU A 121 -10.764 12.650 -2.329 1.00 0.35 H new ATOM 0 HG2 GLU A 121 -9.473 12.171 -0.250 1.00 1.07 H new ATOM 0 HG3 GLU A 121 -8.072 11.719 -1.202 1.00 1.07 H new ATOM 1988 N ASP A 122 -10.773 9.957 -4.631 1.00 0.28 N ATOM 1989 CA ASP A 122 -11.715 9.664 -5.746 1.00 0.30 C ATOM 1990 C ASP A 122 -12.458 8.358 -5.473 1.00 0.28 C ATOM 1991 O ASP A 122 -13.661 8.273 -5.639 1.00 0.31 O ATOM 1992 CB ASP A 122 -10.932 9.536 -7.057 1.00 0.34 C ATOM 1993 CG ASP A 122 -11.879 9.120 -8.186 1.00 1.16 C ATOM 1994 OD1 ASP A 122 -12.435 10.001 -8.821 1.00 1.89 O ATOM 1995 OD2 ASP A 122 -12.029 7.928 -8.398 1.00 1.92 O ATOM 0 H ASP A 122 -9.783 9.905 -4.872 1.00 0.28 H new ATOM 0 HA ASP A 122 -12.436 10.478 -5.825 1.00 0.30 H new ATOM 0 HB2 ASP A 122 -10.455 10.485 -7.301 1.00 0.34 H new ATOM 0 HB3 ASP A 122 -10.137 8.799 -6.946 1.00 0.34 H new ATOM 2000 N LYS A 123 -11.767 7.332 -5.063 1.00 0.27 N ATOM 2001 CA LYS A 123 -12.455 6.039 -4.800 1.00 0.27 C ATOM 2002 C LYS A 123 -13.295 6.126 -3.526 1.00 0.26 C ATOM 2003 O LYS A 123 -14.363 5.547 -3.445 1.00 0.28 O ATOM 2004 CB LYS A 123 -11.410 4.929 -4.637 1.00 0.27 C ATOM 2005 CG LYS A 123 -12.113 3.587 -4.355 1.00 0.93 C ATOM 2006 CD LYS A 123 -11.182 2.409 -4.704 1.00 1.10 C ATOM 2007 CE LYS A 123 -11.306 2.060 -6.193 1.00 1.43 C ATOM 2008 NZ LYS A 123 -10.394 0.926 -6.515 1.00 1.95 N ATOM 0 H LYS A 123 -10.760 7.333 -4.899 1.00 0.27 H new ATOM 0 HA LYS A 123 -13.111 5.816 -5.642 1.00 0.27 H new ATOM 0 HB2 LYS A 123 -10.806 4.850 -5.541 1.00 0.27 H new ATOM 0 HB3 LYS A 123 -10.731 5.173 -3.820 1.00 0.27 H new ATOM 0 HG2 LYS A 123 -12.400 3.533 -3.305 1.00 0.93 H new ATOM 0 HG3 LYS A 123 -13.030 3.520 -4.940 1.00 0.93 H new ATOM 0 HD2 LYS A 123 -10.150 2.669 -4.469 1.00 1.10 H new ATOM 0 HD3 LYS A 123 -11.438 1.541 -4.097 1.00 1.10 H new ATOM 0 HE2 LYS A 123 -12.335 1.791 -6.430 1.00 1.43 H new ATOM 0 HE3 LYS A 123 -11.054 2.928 -6.803 1.00 1.43 H new ATOM 0 HZ1 LYS A 123 -10.478 0.689 -7.524 1.00 1.95 H new ATOM 0 HZ2 LYS A 123 -9.413 1.199 -6.304 1.00 1.95 H new ATOM 0 HZ3 LYS A 123 -10.654 0.098 -5.942 1.00 1.95 H new ATOM 2022 N ILE A 124 -12.844 6.841 -2.522 1.00 0.27 N ATOM 2023 CA ILE A 124 -13.665 6.918 -1.277 1.00 0.29 C ATOM 2024 C ILE A 124 -14.887 7.792 -1.581 1.00 0.35 C ATOM 2025 O ILE A 124 -15.898 7.720 -0.921 1.00 0.43 O ATOM 2026 CB ILE A 124 -12.825 7.495 -0.124 1.00 0.29 C ATOM 2027 CG1 ILE A 124 -11.845 6.426 0.376 1.00 0.27 C ATOM 2028 CG2 ILE A 124 -13.737 7.938 1.026 1.00 0.34 C ATOM 2029 CD1 ILE A 124 -10.880 7.038 1.400 1.00 0.30 C ATOM 0 H ILE A 124 -11.967 7.361 -2.510 1.00 0.27 H new ATOM 0 HA ILE A 124 -13.996 5.928 -0.964 1.00 0.29 H new ATOM 0 HB ILE A 124 -12.270 8.361 -0.485 1.00 0.29 H new ATOM 0 HG12 ILE A 124 -12.394 5.601 0.829 1.00 0.27 H new ATOM 0 HG13 ILE A 124 -11.285 6.013 -0.463 1.00 0.27 H new ATOM 0 HG21 ILE A 124 -13.131 8.344 1.835 1.00 0.34 H new ATOM 0 HG22 ILE A 124 -14.426 8.703 0.670 1.00 0.34 H new ATOM 0 HG23 ILE A 124 -14.303 7.082 1.392 1.00 0.34 H new ATOM 0 HD11 ILE A 124 -10.188 6.273 1.750 1.00 0.30 H new ATOM 0 HD12 ILE A 124 -10.320 7.848 0.933 1.00 0.30 H new ATOM 0 HD13 ILE A 124 -11.446 7.429 2.245 1.00 0.30 H new ATOM 2041 N GLN A 125 -14.784 8.624 -2.584 1.00 0.35 N ATOM 2042 CA GLN A 125 -15.936 9.506 -2.931 1.00 0.40 C ATOM 2043 C GLN A 125 -17.054 8.644 -3.538 1.00 0.43 C ATOM 2044 O GLN A 125 -18.223 8.893 -3.324 1.00 0.54 O ATOM 2045 CB GLN A 125 -15.484 10.588 -3.924 1.00 0.53 C ATOM 2046 CG GLN A 125 -14.970 11.817 -3.167 1.00 1.22 C ATOM 2047 CD GLN A 125 -16.157 12.598 -2.598 1.00 1.81 C ATOM 2048 OE1 GLN A 125 -17.294 12.316 -2.919 1.00 2.27 O ATOM 2049 NE2 GLN A 125 -15.939 13.576 -1.763 1.00 2.64 N ATOM 0 H GLN A 125 -13.959 8.730 -3.174 1.00 0.35 H new ATOM 0 HA GLN A 125 -16.311 10.002 -2.036 1.00 0.40 H new ATOM 0 HB2 GLN A 125 -14.699 10.195 -4.570 1.00 0.53 H new ATOM 0 HB3 GLN A 125 -16.316 10.870 -4.569 1.00 0.53 H new ATOM 0 HG2 GLN A 125 -14.304 11.509 -2.361 1.00 1.22 H new ATOM 0 HG3 GLN A 125 -14.389 12.453 -3.835 1.00 1.22 H new ATOM 0 HE21 GLN A 125 -14.984 13.813 -1.493 1.00 2.64 H new ATOM 0 HE22 GLN A 125 -16.723 14.104 -1.380 1.00 2.64 H new