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 93 TYR OH : rot 180:sc= -0.311 USER MOD Set 1.2: A 123 LYS NZ :NH3+ -172:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.0203 USER MOD Single : A 11 LYS NZ :NH3+ 151:sc= -0.214 (180deg=-1.06) 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= -0.107 X(o=-0.11,f=-0.11) USER MOD Single : A 21 GLN : amide:sc= -0.153 X(o=-0.15,f=-0.1) USER MOD Single : A 27 GLN : amide:sc= -0.45 X(o=-0.45,f=0) USER MOD Single : A 28 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 31 SER OG : rot 92:sc= 1.3 USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.111 USER MOD Single : A 38 THR OG1 : rot -102:sc= -0.132 USER MOD Single : A 40 GLN : amide:sc= -1.18 K(o=-1.2,f=-0.29) USER MOD Single : A 41 SER OG : rot -99:sc= 0.638 USER MOD Single : A 44 ASN : amide:sc= -5.01! C(o=-5!,f=-10!) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -129:sc= -0.123 (180deg=-1.09) USER MOD Single : A 52 SER OG : rot 179:sc= 0.123 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -0.0185 X(o=-0.019,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 99:sc= 1.21 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot -173:sc= -3.12! USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 80:sc= 1.11 USER MOD Single : A 87 CYS SG : rot -9:sc= -2.02 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ -124:sc= -0.108 (180deg=-0.733) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 150:sc= 0.0767 (180deg=-1.91!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 82:sc= 0.122 USER MOD Single : A 112 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 117 LYS NZ :NH3+ -118:sc= -0.853 (180deg=-2.47!) USER MOD Single : A 118 SER OG : rot 71:sc= 0.518 USER MOD Single : A 119 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 125 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 128 N PRO A 8 9.028 6.593 -6.528 1.00 0.67 N ATOM 129 CA PRO A 8 8.537 6.016 -7.795 1.00 0.58 C ATOM 130 C PRO A 8 7.096 6.472 -8.058 1.00 0.52 C ATOM 131 O PRO A 8 6.521 7.223 -7.297 1.00 0.58 O ATOM 132 CB PRO A 8 8.614 4.484 -7.596 1.00 0.62 C ATOM 133 CG PRO A 8 9.143 4.226 -6.157 1.00 0.71 C ATOM 134 CD PRO A 8 9.483 5.595 -5.533 1.00 0.75 C ATOM 0 HA PRO A 8 9.125 6.335 -8.656 1.00 0.58 H new ATOM 0 HB2 PRO A 8 7.632 4.030 -7.731 1.00 0.62 H new ATOM 0 HB3 PRO A 8 9.277 4.034 -8.335 1.00 0.62 H new ATOM 0 HG2 PRO A 8 8.392 3.709 -5.560 1.00 0.71 H new ATOM 0 HG3 PRO A 8 10.026 3.587 -6.182 1.00 0.71 H new ATOM 0 HD2 PRO A 8 8.976 5.730 -4.578 1.00 0.75 H new ATOM 0 HD3 PRO A 8 10.552 5.687 -5.342 1.00 0.75 H new ATOM 142 N THR A 9 6.513 6.009 -9.134 1.00 0.48 N ATOM 143 CA THR A 9 5.108 6.394 -9.470 1.00 0.46 C ATOM 144 C THR A 9 4.167 5.252 -9.064 1.00 0.43 C ATOM 145 O THR A 9 4.595 4.146 -8.802 1.00 0.44 O ATOM 146 CB THR A 9 5.013 6.651 -10.993 1.00 0.47 C ATOM 147 OG1 THR A 9 6.285 6.417 -11.581 1.00 0.72 O ATOM 148 CG2 THR A 9 4.592 8.100 -11.268 1.00 0.73 C ATOM 0 H THR A 9 6.954 5.375 -9.800 1.00 0.48 H new ATOM 0 HA THR A 9 4.821 7.299 -8.934 1.00 0.46 H new ATOM 0 HB THR A 9 4.268 5.980 -11.420 1.00 0.47 H new ATOM 0 HG1 THR A 9 6.233 6.576 -12.547 1.00 0.72 H new ATOM 0 HG21 THR A 9 4.530 8.263 -12.344 1.00 0.73 H new ATOM 0 HG22 THR A 9 3.618 8.288 -10.816 1.00 0.73 H new ATOM 0 HG23 THR A 9 5.328 8.780 -10.840 1.00 0.73 H new ATOM 156 N LEU A 10 2.889 5.511 -9.024 1.00 0.41 N ATOM 157 CA LEU A 10 1.930 4.438 -8.650 1.00 0.40 C ATOM 158 C LEU A 10 1.895 3.395 -9.762 1.00 0.39 C ATOM 159 O LEU A 10 1.733 2.216 -9.516 1.00 0.39 O ATOM 160 CB LEU A 10 0.526 5.031 -8.469 1.00 0.41 C ATOM 161 CG LEU A 10 -0.513 3.907 -8.300 1.00 0.37 C ATOM 162 CD1 LEU A 10 -0.119 2.992 -7.136 1.00 0.41 C ATOM 163 CD2 LEU A 10 -1.874 4.525 -8.007 1.00 0.41 C ATOM 0 H LEU A 10 2.470 6.417 -9.234 1.00 0.41 H new ATOM 0 HA LEU A 10 2.248 3.978 -7.714 1.00 0.40 H new ATOM 0 HB2 LEU A 10 0.510 5.684 -7.597 1.00 0.41 H new ATOM 0 HB3 LEU A 10 0.270 5.645 -9.332 1.00 0.41 H new ATOM 0 HG LEU A 10 -0.555 3.320 -9.218 1.00 0.37 H new ATOM 0 HD11 LEU A 10 -0.862 2.202 -7.027 1.00 0.41 H new ATOM 0 HD12 LEU A 10 0.856 2.548 -7.336 1.00 0.41 H new ATOM 0 HD13 LEU A 10 -0.071 3.574 -6.216 1.00 0.41 H new ATOM 0 HD21 LEU A 10 -2.614 3.734 -7.886 1.00 0.41 H new ATOM 0 HD22 LEU A 10 -1.817 5.112 -7.090 1.00 0.41 H new ATOM 0 HD23 LEU A 10 -2.166 5.172 -8.834 1.00 0.41 H new ATOM 175 N LYS A 11 2.058 3.806 -10.985 1.00 0.42 N ATOM 176 CA LYS A 11 2.041 2.825 -12.098 1.00 0.44 C ATOM 177 C LYS A 11 3.185 1.837 -11.902 1.00 0.43 C ATOM 178 O LYS A 11 3.108 0.694 -12.303 1.00 0.45 O ATOM 179 CB LYS A 11 2.224 3.570 -13.425 1.00 0.49 C ATOM 180 CG LYS A 11 2.076 2.589 -14.595 1.00 0.83 C ATOM 181 CD LYS A 11 2.163 3.345 -15.935 1.00 0.98 C ATOM 182 CE LYS A 11 3.629 3.537 -16.339 1.00 1.64 C ATOM 183 NZ LYS A 11 4.258 2.204 -16.557 1.00 2.31 N ATOM 0 H LYS A 11 2.202 4.777 -11.261 1.00 0.42 H new ATOM 0 HA LYS A 11 1.093 2.288 -12.112 1.00 0.44 H new ATOM 0 HB2 LYS A 11 1.485 4.367 -13.510 1.00 0.49 H new ATOM 0 HB3 LYS A 11 3.206 4.042 -13.456 1.00 0.49 H new ATOM 0 HG2 LYS A 11 2.858 1.831 -14.545 1.00 0.83 H new ATOM 0 HG3 LYS A 11 1.121 2.068 -14.524 1.00 0.83 H new ATOM 0 HD2 LYS A 11 1.634 2.789 -16.710 1.00 0.98 H new ATOM 0 HD3 LYS A 11 1.672 4.314 -15.847 1.00 0.98 H new ATOM 0 HE2 LYS A 11 3.692 4.135 -17.248 1.00 1.64 H new ATOM 0 HE3 LYS A 11 4.164 4.082 -15.561 1.00 1.64 H new ATOM 0 HZ1 LYS A 11 5.019 2.290 -17.261 1.00 2.31 H new ATOM 0 HZ2 LYS A 11 4.654 1.856 -15.660 1.00 2.31 H new ATOM 0 HZ3 LYS A 11 3.541 1.534 -16.902 1.00 2.31 H new ATOM 197 N ASP A 12 4.258 2.275 -11.301 1.00 0.43 N ATOM 198 CA ASP A 12 5.411 1.361 -11.102 1.00 0.45 C ATOM 199 C ASP A 12 4.954 0.134 -10.312 1.00 0.44 C ATOM 200 O ASP A 12 5.551 -0.922 -10.376 1.00 0.46 O ATOM 201 CB ASP A 12 6.505 2.095 -10.325 1.00 0.48 C ATOM 202 CG ASP A 12 6.910 3.359 -11.088 1.00 1.16 C ATOM 203 OD1 ASP A 12 6.396 3.559 -12.177 1.00 1.88 O ATOM 204 OD2 ASP A 12 7.725 4.104 -10.571 1.00 1.94 O ATOM 0 H ASP A 12 4.383 3.222 -10.942 1.00 0.43 H new ATOM 0 HA ASP A 12 5.802 1.043 -12.069 1.00 0.45 H new ATOM 0 HB2 ASP A 12 6.146 2.357 -9.330 1.00 0.48 H new ATOM 0 HB3 ASP A 12 7.370 1.445 -10.191 1.00 0.48 H new ATOM 209 N ALA A 13 3.900 0.282 -9.541 1.00 0.43 N ATOM 210 CA ALA A 13 3.403 -0.858 -8.718 1.00 0.45 C ATOM 211 C ALA A 13 2.928 -1.994 -9.623 1.00 0.49 C ATOM 212 O ALA A 13 2.933 -3.147 -9.240 1.00 0.57 O ATOM 213 CB ALA A 13 2.241 -0.379 -7.846 1.00 0.44 C ATOM 0 H ALA A 13 3.365 1.146 -9.450 1.00 0.43 H new ATOM 0 HA ALA A 13 4.213 -1.225 -8.087 1.00 0.45 H new ATOM 0 HB1 ALA A 13 1.873 -1.208 -7.242 1.00 0.44 H new ATOM 0 HB2 ALA A 13 2.584 0.423 -7.192 1.00 0.44 H new ATOM 0 HB3 ALA A 13 1.437 -0.009 -8.482 1.00 0.44 H new ATOM 219 N TYR A 14 2.515 -1.683 -10.819 1.00 0.54 N ATOM 220 CA TYR A 14 2.039 -2.752 -11.740 1.00 0.60 C ATOM 221 C TYR A 14 3.243 -3.529 -12.282 1.00 0.67 C ATOM 222 O TYR A 14 3.223 -4.740 -12.366 1.00 1.15 O ATOM 223 CB TYR A 14 1.272 -2.115 -12.905 1.00 0.61 C ATOM 224 CG TYR A 14 -0.101 -1.682 -12.436 1.00 0.58 C ATOM 225 CD1 TYR A 14 -0.233 -0.579 -11.584 1.00 1.32 C ATOM 226 CD2 TYR A 14 -1.242 -2.382 -12.854 1.00 1.37 C ATOM 227 CE1 TYR A 14 -1.502 -0.175 -11.149 1.00 1.33 C ATOM 228 CE2 TYR A 14 -2.510 -1.978 -12.419 1.00 1.41 C ATOM 229 CZ TYR A 14 -2.640 -0.875 -11.567 1.00 0.70 C ATOM 230 OH TYR A 14 -3.890 -0.476 -11.140 1.00 0.82 O ATOM 0 H TYR A 14 2.486 -0.737 -11.198 1.00 0.54 H new ATOM 0 HA TYR A 14 1.380 -3.433 -11.201 1.00 0.60 H new ATOM 0 HB2 TYR A 14 1.823 -1.257 -13.290 1.00 0.61 H new ATOM 0 HB3 TYR A 14 1.179 -2.827 -13.725 1.00 0.61 H new ATOM 0 HD1 TYR A 14 0.645 -0.039 -11.262 1.00 1.32 H new ATOM 0 HD2 TYR A 14 -1.143 -3.233 -13.512 1.00 1.37 H new ATOM 0 HE1 TYR A 14 -1.602 0.676 -10.492 1.00 1.33 H new ATOM 0 HE2 TYR A 14 -3.388 -2.518 -12.741 1.00 1.41 H new ATOM 0 HH TYR A 14 -4.571 -1.068 -11.523 1.00 0.82 H new ATOM 240 N GLU A 15 4.288 -2.838 -12.650 1.00 0.57 N ATOM 241 CA GLU A 15 5.495 -3.527 -13.192 1.00 0.60 C ATOM 242 C GLU A 15 5.866 -4.725 -12.286 1.00 0.53 C ATOM 243 O GLU A 15 6.314 -4.511 -11.177 1.00 0.57 O ATOM 244 CB GLU A 15 6.667 -2.537 -13.208 1.00 0.68 C ATOM 245 CG GLU A 15 6.559 -1.626 -14.432 1.00 0.89 C ATOM 246 CD GLU A 15 7.631 -0.541 -14.350 1.00 1.59 C ATOM 247 OE1 GLU A 15 8.762 -0.878 -14.040 1.00 2.12 O ATOM 248 OE2 GLU A 15 7.304 0.607 -14.596 1.00 2.32 O ATOM 0 H GLU A 15 4.358 -1.822 -12.598 1.00 0.57 H new ATOM 0 HA GLU A 15 5.286 -3.885 -14.200 1.00 0.60 H new ATOM 0 HB2 GLU A 15 6.662 -1.939 -12.297 1.00 0.68 H new ATOM 0 HB3 GLU A 15 7.613 -3.079 -13.229 1.00 0.68 H new ATOM 0 HG2 GLU A 15 6.684 -2.208 -15.345 1.00 0.89 H new ATOM 0 HG3 GLU A 15 5.569 -1.172 -14.476 1.00 0.89 H new ATOM 255 N PRO A 16 5.690 -5.951 -12.756 1.00 0.51 N ATOM 256 CA PRO A 16 6.037 -7.129 -11.939 1.00 0.48 C ATOM 257 C PRO A 16 7.546 -7.148 -11.653 1.00 0.51 C ATOM 258 O PRO A 16 8.356 -6.783 -12.481 1.00 0.76 O ATOM 259 CB PRO A 16 5.616 -8.351 -12.788 1.00 0.53 C ATOM 260 CG PRO A 16 5.057 -7.814 -14.135 1.00 0.64 C ATOM 261 CD PRO A 16 5.145 -6.275 -14.097 1.00 0.60 C ATOM 0 HA PRO A 16 5.536 -7.125 -10.971 1.00 0.48 H new ATOM 0 HB2 PRO A 16 6.468 -9.009 -12.961 1.00 0.53 H new ATOM 0 HB3 PRO A 16 4.860 -8.938 -12.266 1.00 0.53 H new ATOM 0 HG2 PRO A 16 5.631 -8.210 -14.973 1.00 0.64 H new ATOM 0 HG3 PRO A 16 4.025 -8.135 -14.276 1.00 0.64 H new ATOM 0 HD2 PRO A 16 5.794 -5.898 -14.888 1.00 0.60 H new ATOM 0 HD3 PRO A 16 4.165 -5.821 -14.245 1.00 0.60 H new ATOM 269 N LEU A 17 7.915 -7.584 -10.484 1.00 0.63 N ATOM 270 CA LEU A 17 9.355 -7.649 -10.119 1.00 0.74 C ATOM 271 C LEU A 17 10.003 -8.868 -10.797 1.00 0.79 C ATOM 272 O LEU A 17 9.544 -9.330 -11.821 1.00 1.03 O ATOM 273 CB LEU A 17 9.462 -7.764 -8.566 1.00 0.79 C ATOM 274 CG LEU A 17 10.233 -6.557 -7.977 1.00 1.26 C ATOM 275 CD1 LEU A 17 10.412 -6.759 -6.469 1.00 1.12 C ATOM 276 CD2 LEU A 17 11.622 -6.405 -8.650 1.00 2.28 C ATOM 0 H LEU A 17 7.273 -7.902 -9.758 1.00 0.63 H new ATOM 0 HA LEU A 17 9.876 -6.753 -10.455 1.00 0.74 H new ATOM 0 HB2 LEU A 17 8.464 -7.811 -8.131 1.00 0.79 H new ATOM 0 HB3 LEU A 17 9.970 -8.691 -8.300 1.00 0.79 H new ATOM 0 HG LEU A 17 9.659 -5.650 -8.167 1.00 1.26 H new ATOM 0 HD11 LEU A 17 10.954 -5.911 -6.050 1.00 1.12 H new ATOM 0 HD12 LEU A 17 9.434 -6.835 -5.993 1.00 1.12 H new ATOM 0 HD13 LEU A 17 10.975 -7.675 -6.289 1.00 1.12 H new ATOM 0 HD21 LEU A 17 12.144 -5.550 -8.219 1.00 2.28 H new ATOM 0 HD22 LEU A 17 12.208 -7.309 -8.484 1.00 2.28 H new ATOM 0 HD23 LEU A 17 11.492 -6.248 -9.721 1.00 2.28 H new ATOM 288 N TYR A 18 11.035 -9.416 -10.198 1.00 0.78 N ATOM 289 CA TYR A 18 11.704 -10.631 -10.760 1.00 0.88 C ATOM 290 C TYR A 18 12.011 -11.587 -9.582 1.00 0.76 C ATOM 291 O TYR A 18 12.187 -11.128 -8.471 1.00 0.63 O ATOM 292 CB TYR A 18 13.015 -10.205 -11.470 1.00 1.09 C ATOM 293 CG TYR A 18 12.990 -10.610 -12.934 1.00 0.78 C ATOM 294 CD1 TYR A 18 11.981 -10.124 -13.774 1.00 1.46 C ATOM 295 CD2 TYR A 18 13.973 -11.468 -13.449 1.00 1.41 C ATOM 296 CE1 TYR A 18 11.951 -10.493 -15.123 1.00 1.64 C ATOM 297 CE2 TYR A 18 13.942 -11.837 -14.800 1.00 1.67 C ATOM 298 CZ TYR A 18 12.931 -11.349 -15.637 1.00 1.40 C ATOM 299 OH TYR A 18 12.901 -11.711 -16.968 1.00 1.95 O ATOM 0 H TYR A 18 11.446 -9.067 -9.332 1.00 0.78 H new ATOM 0 HA TYR A 18 11.065 -11.133 -11.487 1.00 0.88 H new ATOM 0 HB2 TYR A 18 13.144 -9.126 -11.388 1.00 1.09 H new ATOM 0 HB3 TYR A 18 13.869 -10.667 -10.975 1.00 1.09 H new ATOM 0 HD1 TYR A 18 11.224 -9.463 -13.380 1.00 1.46 H new ATOM 0 HD2 TYR A 18 14.753 -11.844 -12.804 1.00 1.41 H new ATOM 0 HE1 TYR A 18 11.171 -10.117 -15.768 1.00 1.64 H new ATOM 0 HE2 TYR A 18 14.698 -12.498 -15.196 1.00 1.67 H new ATOM 0 HH TYR A 18 13.653 -12.309 -17.162 1.00 1.95 H new ATOM 309 N PRO A 19 12.074 -12.881 -9.836 1.00 0.88 N ATOM 310 CA PRO A 19 12.366 -13.856 -8.764 1.00 0.87 C ATOM 311 C PRO A 19 13.727 -13.544 -8.121 1.00 0.80 C ATOM 312 O PRO A 19 13.879 -13.575 -6.916 1.00 0.77 O ATOM 313 CB PRO A 19 12.383 -15.233 -9.469 1.00 1.11 C ATOM 314 CG PRO A 19 12.148 -14.984 -10.987 1.00 1.24 C ATOM 315 CD PRO A 19 11.868 -13.477 -11.175 1.00 1.09 C ATOM 0 HA PRO A 19 11.630 -13.827 -7.961 1.00 0.87 H new ATOM 0 HB2 PRO A 19 13.336 -15.735 -9.306 1.00 1.11 H new ATOM 0 HB3 PRO A 19 11.607 -15.882 -9.062 1.00 1.11 H new ATOM 0 HG2 PRO A 19 13.022 -15.286 -11.564 1.00 1.24 H new ATOM 0 HG3 PRO A 19 11.307 -15.577 -11.347 1.00 1.24 H new ATOM 0 HD2 PRO A 19 12.543 -13.039 -11.910 1.00 1.09 H new ATOM 0 HD3 PRO A 19 10.852 -13.305 -11.532 1.00 1.09 H new ATOM 323 N GLN A 20 14.719 -13.271 -8.924 1.00 0.80 N ATOM 324 CA GLN A 20 16.070 -12.986 -8.362 1.00 0.77 C ATOM 325 C GLN A 20 16.040 -11.672 -7.574 1.00 0.68 C ATOM 326 O GLN A 20 16.535 -11.592 -6.467 1.00 0.67 O ATOM 327 CB GLN A 20 17.093 -12.890 -9.495 1.00 0.85 C ATOM 328 CG GLN A 20 16.958 -14.107 -10.411 1.00 1.41 C ATOM 329 CD GLN A 20 17.218 -15.383 -9.607 1.00 1.86 C ATOM 330 OE1 GLN A 20 16.375 -16.256 -9.542 1.00 2.60 O ATOM 331 NE2 GLN A 20 18.357 -15.529 -8.987 1.00 2.30 N ATOM 0 H GLN A 20 14.653 -13.233 -9.941 1.00 0.80 H new ATOM 0 HA GLN A 20 16.356 -13.796 -7.691 1.00 0.77 H new ATOM 0 HB2 GLN A 20 16.935 -11.974 -10.064 1.00 0.85 H new ATOM 0 HB3 GLN A 20 18.102 -12.841 -9.085 1.00 0.85 H new ATOM 0 HG2 GLN A 20 15.960 -14.137 -10.848 1.00 1.41 H new ATOM 0 HG3 GLN A 20 17.666 -14.034 -11.237 1.00 1.41 H new ATOM 0 HE21 GLN A 20 19.065 -14.797 -9.041 1.00 2.30 H new ATOM 0 HE22 GLN A 20 18.539 -16.376 -8.448 1.00 2.30 H new ATOM 340 N GLN A 21 15.467 -10.642 -8.130 1.00 0.64 N ATOM 341 CA GLN A 21 15.412 -9.339 -7.406 1.00 0.59 C ATOM 342 C GLN A 21 14.736 -9.527 -6.046 1.00 0.50 C ATOM 343 O GLN A 21 15.243 -9.106 -5.026 1.00 0.47 O ATOM 344 CB GLN A 21 14.611 -8.333 -8.233 1.00 0.64 C ATOM 345 CG GLN A 21 15.333 -8.067 -9.556 1.00 1.02 C ATOM 346 CD GLN A 21 16.627 -7.297 -9.288 1.00 1.57 C ATOM 347 OE1 GLN A 21 17.698 -7.742 -9.649 1.00 2.34 O ATOM 348 NE2 GLN A 21 16.574 -6.151 -8.665 1.00 1.94 N ATOM 0 H GLN A 21 15.034 -10.644 -9.054 1.00 0.64 H new ATOM 0 HA GLN A 21 16.426 -8.969 -7.256 1.00 0.59 H new ATOM 0 HB2 GLN A 21 13.610 -8.719 -8.424 1.00 0.64 H new ATOM 0 HB3 GLN A 21 14.493 -7.402 -7.678 1.00 0.64 H new ATOM 0 HG2 GLN A 21 15.556 -9.009 -10.056 1.00 1.02 H new ATOM 0 HG3 GLN A 21 14.689 -7.495 -10.225 1.00 1.02 H new ATOM 0 HE21 GLN A 21 15.675 -5.777 -8.362 1.00 1.94 H new ATOM 0 HE22 GLN A 21 17.432 -5.630 -8.482 1.00 1.94 H new ATOM 357 N LEU A 22 13.590 -10.152 -6.024 1.00 0.52 N ATOM 358 CA LEU A 22 12.880 -10.360 -4.732 1.00 0.46 C ATOM 359 C LEU A 22 13.707 -11.282 -3.834 1.00 0.42 C ATOM 360 O LEU A 22 13.787 -11.085 -2.637 1.00 0.40 O ATOM 361 CB LEU A 22 11.511 -10.995 -5.010 1.00 0.52 C ATOM 362 CG LEU A 22 10.778 -11.306 -3.696 1.00 0.59 C ATOM 363 CD1 LEU A 22 10.552 -10.016 -2.893 1.00 0.52 C ATOM 364 CD2 LEU A 22 9.427 -11.945 -4.029 1.00 0.93 C ATOM 0 H LEU A 22 13.116 -10.527 -6.845 1.00 0.52 H new ATOM 0 HA LEU A 22 12.743 -9.403 -4.228 1.00 0.46 H new ATOM 0 HB2 LEU A 22 10.908 -10.320 -5.617 1.00 0.52 H new ATOM 0 HB3 LEU A 22 11.640 -11.912 -5.586 1.00 0.52 H new ATOM 0 HG LEU A 22 11.381 -11.988 -3.096 1.00 0.59 H new ATOM 0 HD11 LEU A 22 10.032 -10.252 -1.965 1.00 0.52 H new ATOM 0 HD12 LEU A 22 11.514 -9.557 -2.664 1.00 0.52 H new ATOM 0 HD13 LEU A 22 9.950 -9.323 -3.480 1.00 0.52 H new ATOM 0 HD21 LEU A 22 8.894 -12.172 -3.105 1.00 0.93 H new ATOM 0 HD22 LEU A 22 8.835 -11.253 -4.629 1.00 0.93 H new ATOM 0 HD23 LEU A 22 9.588 -12.865 -4.590 1.00 0.93 H new ATOM 376 N GLU A 23 14.311 -12.299 -4.391 1.00 0.44 N ATOM 377 CA GLU A 23 15.108 -13.231 -3.545 1.00 0.42 C ATOM 378 C GLU A 23 16.377 -12.520 -3.071 1.00 0.38 C ATOM 379 O GLU A 23 16.904 -12.803 -2.013 1.00 0.37 O ATOM 380 CB GLU A 23 15.476 -14.474 -4.359 1.00 0.47 C ATOM 381 CG GLU A 23 16.133 -15.514 -3.449 1.00 1.13 C ATOM 382 CD GLU A 23 16.426 -16.781 -4.256 1.00 1.66 C ATOM 383 OE1 GLU A 23 16.974 -16.657 -5.339 1.00 2.28 O ATOM 384 OE2 GLU A 23 16.096 -17.854 -3.777 1.00 2.30 O ATOM 0 H GLU A 23 14.287 -12.522 -5.386 1.00 0.44 H new ATOM 0 HA GLU A 23 14.521 -13.536 -2.679 1.00 0.42 H new ATOM 0 HB2 GLU A 23 14.583 -14.894 -4.822 1.00 0.47 H new ATOM 0 HB3 GLU A 23 16.156 -14.203 -5.167 1.00 0.47 H new ATOM 0 HG2 GLU A 23 17.056 -15.115 -3.029 1.00 1.13 H new ATOM 0 HG3 GLU A 23 15.476 -15.747 -2.611 1.00 1.13 H new ATOM 391 N ILE A 24 16.868 -11.593 -3.849 1.00 0.39 N ATOM 392 CA ILE A 24 18.096 -10.854 -3.454 1.00 0.39 C ATOM 393 C ILE A 24 17.783 -9.995 -2.222 1.00 0.36 C ATOM 394 O ILE A 24 18.503 -10.014 -1.244 1.00 0.37 O ATOM 395 CB ILE A 24 18.544 -9.973 -4.638 1.00 0.44 C ATOM 396 CG1 ILE A 24 19.307 -10.837 -5.657 1.00 0.52 C ATOM 397 CG2 ILE A 24 19.455 -8.841 -4.148 1.00 0.48 C ATOM 398 CD1 ILE A 24 19.386 -10.106 -7.002 1.00 0.89 C ATOM 0 H ILE A 24 16.467 -11.316 -4.745 1.00 0.39 H new ATOM 0 HA ILE A 24 18.901 -11.544 -3.203 1.00 0.39 H new ATOM 0 HB ILE A 24 17.662 -9.538 -5.107 1.00 0.44 H new ATOM 0 HG12 ILE A 24 20.311 -11.049 -5.288 1.00 0.52 H new ATOM 0 HG13 ILE A 24 18.804 -11.796 -5.783 1.00 0.52 H new ATOM 0 HG21 ILE A 24 19.762 -8.229 -4.996 1.00 0.48 H new ATOM 0 HG22 ILE A 24 18.914 -8.223 -3.431 1.00 0.48 H new ATOM 0 HG23 ILE A 24 20.337 -9.266 -3.668 1.00 0.48 H new ATOM 0 HD11 ILE A 24 19.927 -10.722 -7.720 1.00 0.89 H new ATOM 0 HD12 ILE A 24 18.379 -9.917 -7.373 1.00 0.89 H new ATOM 0 HD13 ILE A 24 19.908 -9.158 -6.871 1.00 0.89 H new ATOM 410 N LEU A 25 16.715 -9.246 -2.258 1.00 0.34 N ATOM 411 CA LEU A 25 16.365 -8.397 -1.085 1.00 0.34 C ATOM 412 C LEU A 25 16.194 -9.288 0.149 1.00 0.32 C ATOM 413 O LEU A 25 16.413 -8.865 1.266 1.00 0.34 O ATOM 414 CB LEU A 25 15.054 -7.652 -1.364 1.00 0.36 C ATOM 415 CG LEU A 25 15.252 -6.638 -2.507 1.00 0.38 C ATOM 416 CD1 LEU A 25 13.894 -6.289 -3.124 1.00 0.44 C ATOM 417 CD2 LEU A 25 15.901 -5.351 -1.976 1.00 0.41 C ATOM 0 H LEU A 25 16.071 -9.185 -3.047 1.00 0.34 H new ATOM 0 HA LEU A 25 17.160 -7.673 -0.907 1.00 0.34 H new ATOM 0 HB2 LEU A 25 14.272 -8.363 -1.630 1.00 0.36 H new ATOM 0 HB3 LEU A 25 14.722 -7.136 -0.463 1.00 0.36 H new ATOM 0 HG LEU A 25 15.902 -7.085 -3.259 1.00 0.38 H new ATOM 0 HD11 LEU A 25 14.035 -5.572 -3.932 1.00 0.44 H new ATOM 0 HD12 LEU A 25 13.430 -7.193 -3.518 1.00 0.44 H new ATOM 0 HD13 LEU A 25 13.249 -5.853 -2.361 1.00 0.44 H new ATOM 0 HD21 LEU A 25 16.034 -4.645 -2.796 1.00 0.41 H new ATOM 0 HD22 LEU A 25 15.259 -4.907 -1.215 1.00 0.41 H new ATOM 0 HD23 LEU A 25 16.871 -5.586 -1.539 1.00 0.41 H new ATOM 429 N ARG A 26 15.805 -10.519 -0.048 1.00 0.31 N ATOM 430 CA ARG A 26 15.621 -11.440 1.107 1.00 0.33 C ATOM 431 C ARG A 26 16.994 -11.918 1.587 1.00 0.31 C ATOM 432 O ARG A 26 17.236 -12.062 2.769 1.00 0.32 O ATOM 433 CB ARG A 26 14.762 -12.643 0.673 1.00 0.38 C ATOM 434 CG ARG A 26 14.027 -13.224 1.887 1.00 0.69 C ATOM 435 CD ARG A 26 13.157 -14.403 1.448 1.00 1.00 C ATOM 436 NE ARG A 26 12.388 -14.913 2.619 1.00 1.36 N ATOM 437 CZ ARG A 26 11.373 -15.714 2.436 1.00 1.86 C ATOM 438 NH1 ARG A 26 11.034 -16.071 1.227 1.00 2.36 N ATOM 439 NH2 ARG A 26 10.699 -16.160 3.461 1.00 2.46 N ATOM 0 H ARG A 26 15.607 -10.926 -0.962 1.00 0.31 H new ATOM 0 HA ARG A 26 15.115 -10.921 1.921 1.00 0.33 H new ATOM 0 HB2 ARG A 26 14.042 -12.333 -0.085 1.00 0.38 H new ATOM 0 HB3 ARG A 26 15.393 -13.407 0.219 1.00 0.38 H new ATOM 0 HG2 ARG A 26 14.747 -13.550 2.638 1.00 0.69 H new ATOM 0 HG3 ARG A 26 13.408 -12.456 2.351 1.00 0.69 H new ATOM 0 HD2 ARG A 26 12.474 -14.091 0.658 1.00 1.00 H new ATOM 0 HD3 ARG A 26 13.781 -15.196 1.035 1.00 1.00 H new ATOM 0 HE ARG A 26 12.655 -14.636 3.564 1.00 1.36 H new ATOM 0 HH11 ARG A 26 11.562 -15.724 0.426 1.00 2.36 H new ATOM 0 HH12 ARG A 26 10.241 -16.697 1.083 1.00 2.36 H new ATOM 0 HH21 ARG A 26 10.965 -15.883 4.406 1.00 2.46 H new ATOM 0 HH22 ARG A 26 9.906 -16.786 3.317 1.00 2.46 H new ATOM 453 N GLN A 27 17.906 -12.130 0.678 1.00 0.31 N ATOM 454 CA GLN A 27 19.276 -12.560 1.073 1.00 0.32 C ATOM 455 C GLN A 27 19.860 -11.533 2.038 1.00 0.31 C ATOM 456 O GLN A 27 20.452 -11.868 3.045 1.00 0.33 O ATOM 457 CB GLN A 27 20.158 -12.611 -0.179 1.00 0.33 C ATOM 458 CG GLN A 27 21.527 -13.192 0.189 1.00 0.99 C ATOM 459 CD GLN A 27 22.337 -13.444 -1.084 1.00 1.48 C ATOM 460 OE1 GLN A 27 23.092 -14.393 -1.160 1.00 2.02 O ATOM 461 NE2 GLN A 27 22.211 -12.629 -2.095 1.00 2.23 N ATOM 0 H GLN A 27 17.760 -12.023 -0.326 1.00 0.31 H new ATOM 0 HA GLN A 27 19.235 -13.540 1.548 1.00 0.32 H new ATOM 0 HB2 GLN A 27 19.685 -13.223 -0.946 1.00 0.33 H new ATOM 0 HB3 GLN A 27 20.275 -11.611 -0.596 1.00 0.33 H new ATOM 0 HG2 GLN A 27 22.062 -12.503 0.842 1.00 0.99 H new ATOM 0 HG3 GLN A 27 21.401 -14.123 0.742 1.00 0.99 H new ATOM 0 HE21 GLN A 27 21.577 -11.832 -2.032 1.00 2.23 H new ATOM 0 HE22 GLN A 27 22.746 -12.789 -2.949 1.00 2.23 H new ATOM 470 N GLN A 28 19.694 -10.276 1.727 1.00 0.30 N ATOM 471 CA GLN A 28 20.229 -9.205 2.607 1.00 0.31 C ATOM 472 C GLN A 28 19.464 -9.209 3.930 1.00 0.30 C ATOM 473 O GLN A 28 20.017 -8.946 4.978 1.00 0.34 O ATOM 474 CB GLN A 28 20.051 -7.850 1.918 1.00 0.33 C ATOM 475 CG GLN A 28 20.832 -6.781 2.682 1.00 1.10 C ATOM 476 CD GLN A 28 20.618 -5.420 2.019 1.00 1.61 C ATOM 477 OE1 GLN A 28 19.979 -5.326 0.990 1.00 2.28 O ATOM 478 NE2 GLN A 28 21.130 -4.354 2.569 1.00 2.28 N ATOM 0 H GLN A 28 19.207 -9.946 0.894 1.00 0.30 H new ATOM 0 HA GLN A 28 21.288 -9.380 2.799 1.00 0.31 H new ATOM 0 HB2 GLN A 28 20.403 -7.905 0.888 1.00 0.33 H new ATOM 0 HB3 GLN A 28 18.994 -7.586 1.880 1.00 0.33 H new ATOM 0 HG2 GLN A 28 20.502 -6.747 3.720 1.00 1.10 H new ATOM 0 HG3 GLN A 28 21.893 -7.029 2.693 1.00 1.10 H new ATOM 0 HE21 GLN A 28 21.666 -4.433 3.433 1.00 2.28 H new ATOM 0 HE22 GLN A 28 20.994 -3.441 2.135 1.00 2.28 H new ATOM 487 N VAL A 29 18.194 -9.511 3.892 1.00 0.27 N ATOM 488 CA VAL A 29 17.410 -9.532 5.158 1.00 0.28 C ATOM 489 C VAL A 29 17.836 -10.747 5.988 1.00 0.30 C ATOM 490 O VAL A 29 18.150 -10.634 7.156 1.00 0.33 O ATOM 491 CB VAL A 29 15.915 -9.612 4.829 1.00 0.27 C ATOM 492 CG1 VAL A 29 15.114 -9.940 6.094 1.00 0.30 C ATOM 493 CG2 VAL A 29 15.452 -8.267 4.262 1.00 0.27 C ATOM 0 H VAL A 29 17.671 -9.742 3.047 1.00 0.27 H new ATOM 0 HA VAL A 29 17.597 -8.623 5.730 1.00 0.28 H new ATOM 0 HB VAL A 29 15.750 -10.399 4.093 1.00 0.27 H new ATOM 0 HG11 VAL A 29 14.053 -9.994 5.849 1.00 0.30 H new ATOM 0 HG12 VAL A 29 15.444 -10.899 6.495 1.00 0.30 H new ATOM 0 HG13 VAL A 29 15.275 -9.161 6.839 1.00 0.30 H new ATOM 0 HG21 VAL A 29 14.389 -8.318 4.026 1.00 0.27 H new ATOM 0 HG22 VAL A 29 15.623 -7.483 5.000 1.00 0.27 H new ATOM 0 HG23 VAL A 29 16.014 -8.041 3.356 1.00 0.27 H new ATOM 503 N VAL A 30 17.842 -11.908 5.394 1.00 0.31 N ATOM 504 CA VAL A 30 18.239 -13.130 6.144 1.00 0.35 C ATOM 505 C VAL A 30 19.702 -13.023 6.573 1.00 0.37 C ATOM 506 O VAL A 30 20.055 -13.327 7.695 1.00 0.42 O ATOM 507 CB VAL A 30 18.066 -14.347 5.236 1.00 0.35 C ATOM 508 CG1 VAL A 30 18.465 -15.613 5.990 1.00 0.40 C ATOM 509 CG2 VAL A 30 16.604 -14.448 4.804 1.00 0.35 C ATOM 0 H VAL A 30 17.588 -12.062 4.418 1.00 0.31 H new ATOM 0 HA VAL A 30 17.613 -13.233 7.030 1.00 0.35 H new ATOM 0 HB VAL A 30 18.702 -14.239 4.357 1.00 0.35 H new ATOM 0 HG11 VAL A 30 18.340 -16.479 5.339 1.00 0.40 H new ATOM 0 HG12 VAL A 30 19.508 -15.539 6.299 1.00 0.40 H new ATOM 0 HG13 VAL A 30 17.832 -15.727 6.870 1.00 0.40 H new ATOM 0 HG21 VAL A 30 16.475 -15.315 4.156 1.00 0.35 H new ATOM 0 HG22 VAL A 30 15.971 -14.556 5.685 1.00 0.35 H new ATOM 0 HG23 VAL A 30 16.321 -13.545 4.263 1.00 0.35 H new ATOM 519 N SER A 31 20.558 -12.603 5.685 1.00 0.36 N ATOM 520 CA SER A 31 22.001 -12.490 6.040 1.00 0.39 C ATOM 521 C SER A 31 22.169 -11.556 7.243 1.00 0.42 C ATOM 522 O SER A 31 23.107 -11.681 8.006 1.00 0.47 O ATOM 523 CB SER A 31 22.782 -11.932 4.848 1.00 0.38 C ATOM 524 OG SER A 31 22.695 -12.841 3.758 1.00 1.36 O ATOM 0 H SER A 31 20.322 -12.333 4.730 1.00 0.36 H new ATOM 0 HA SER A 31 22.384 -13.478 6.295 1.00 0.39 H new ATOM 0 HB2 SER A 31 22.380 -10.961 4.559 1.00 0.38 H new ATOM 0 HB3 SER A 31 23.825 -11.776 5.123 1.00 0.38 H new ATOM 0 HG SER A 31 21.930 -12.603 3.194 1.00 1.36 H new ATOM 530 N GLU A 32 21.283 -10.609 7.412 1.00 0.42 N ATOM 531 CA GLU A 32 21.414 -9.663 8.558 1.00 0.47 C ATOM 532 C GLU A 32 20.800 -10.274 9.822 1.00 0.49 C ATOM 533 O GLU A 32 20.972 -9.759 10.908 1.00 0.54 O ATOM 534 CB GLU A 32 20.701 -8.353 8.220 1.00 0.48 C ATOM 535 CG GLU A 32 21.511 -7.583 7.174 1.00 0.79 C ATOM 536 CD GLU A 32 20.667 -6.432 6.622 1.00 1.50 C ATOM 537 OE1 GLU A 32 19.614 -6.708 6.070 1.00 2.22 O ATOM 538 OE2 GLU A 32 21.086 -5.295 6.764 1.00 2.23 O ATOM 0 H GLU A 32 20.477 -10.451 6.807 1.00 0.42 H new ATOM 0 HA GLU A 32 22.471 -9.468 8.740 1.00 0.47 H new ATOM 0 HB2 GLU A 32 19.700 -8.559 7.840 1.00 0.48 H new ATOM 0 HB3 GLU A 32 20.582 -7.749 9.120 1.00 0.48 H new ATOM 0 HG2 GLU A 32 22.427 -7.195 7.621 1.00 0.79 H new ATOM 0 HG3 GLU A 32 21.809 -8.250 6.365 1.00 0.79 H new ATOM 545 N GLY A 33 20.100 -11.377 9.692 1.00 0.47 N ATOM 546 CA GLY A 33 19.487 -12.039 10.893 1.00 0.50 C ATOM 547 C GLY A 33 17.977 -12.208 10.699 1.00 0.50 C ATOM 548 O GLY A 33 17.258 -12.507 11.631 1.00 0.66 O ATOM 0 H GLY A 33 19.926 -11.849 8.805 1.00 0.47 H new ATOM 0 HA2 GLY A 33 19.950 -13.012 11.055 1.00 0.50 H new ATOM 0 HA3 GLY A 33 19.681 -11.441 11.784 1.00 0.50 H new ATOM 552 N GLY A 34 17.490 -12.035 9.502 1.00 0.43 N ATOM 553 CA GLY A 34 16.027 -12.205 9.267 1.00 0.43 C ATOM 554 C GLY A 34 15.241 -11.092 10.005 1.00 0.43 C ATOM 555 O GLY A 34 15.426 -9.932 9.689 1.00 0.41 O ATOM 0 H GLY A 34 18.038 -11.784 8.679 1.00 0.43 H new ATOM 0 HA2 GLY A 34 15.814 -12.165 8.199 1.00 0.43 H new ATOM 0 HA3 GLY A 34 15.705 -13.185 9.620 1.00 0.43 H new ATOM 559 N PRO A 35 14.384 -11.440 10.960 1.00 0.47 N ATOM 560 CA PRO A 35 13.602 -10.420 11.696 1.00 0.51 C ATOM 561 C PRO A 35 14.542 -9.406 12.364 1.00 0.52 C ATOM 562 O PRO A 35 14.308 -8.214 12.338 1.00 0.64 O ATOM 563 CB PRO A 35 12.800 -11.214 12.754 1.00 0.57 C ATOM 564 CG PRO A 35 13.100 -12.723 12.537 1.00 0.58 C ATOM 565 CD PRO A 35 14.122 -12.836 11.388 1.00 0.52 C ATOM 0 HA PRO A 35 12.946 -9.848 11.040 1.00 0.51 H new ATOM 0 HB2 PRO A 35 13.086 -10.908 13.760 1.00 0.57 H new ATOM 0 HB3 PRO A 35 11.733 -11.017 12.652 1.00 0.57 H new ATOM 0 HG2 PRO A 35 13.498 -13.169 13.448 1.00 0.58 H new ATOM 0 HG3 PRO A 35 12.186 -13.263 12.291 1.00 0.58 H new ATOM 0 HD2 PRO A 35 15.038 -13.324 11.722 1.00 0.52 H new ATOM 0 HD3 PRO A 35 13.726 -13.432 10.566 1.00 0.52 H new ATOM 573 N THR A 36 15.598 -9.878 12.967 1.00 0.50 N ATOM 574 CA THR A 36 16.552 -8.957 13.644 1.00 0.50 C ATOM 575 C THR A 36 17.301 -8.126 12.599 1.00 0.48 C ATOM 576 O THR A 36 18.222 -7.400 12.917 1.00 0.48 O ATOM 577 CB THR A 36 17.559 -9.784 14.451 1.00 0.51 C ATOM 578 OG1 THR A 36 18.174 -10.742 13.601 1.00 0.69 O ATOM 579 CG2 THR A 36 16.833 -10.501 15.591 1.00 0.80 C ATOM 0 H THR A 36 15.842 -10.867 13.020 1.00 0.50 H new ATOM 0 HA THR A 36 16.003 -8.289 14.307 1.00 0.50 H new ATOM 0 HB THR A 36 18.322 -9.125 14.866 1.00 0.51 H new ATOM 0 HG1 THR A 36 18.819 -11.270 14.116 1.00 0.69 H new ATOM 0 HG21 THR A 36 17.549 -11.089 16.165 1.00 0.80 H new ATOM 0 HG22 THR A 36 16.363 -9.765 16.243 1.00 0.80 H new ATOM 0 HG23 THR A 36 16.070 -11.161 15.178 1.00 0.80 H new ATOM 587 N ALA A 37 16.918 -8.226 11.355 1.00 0.48 N ATOM 588 CA ALA A 37 17.617 -7.441 10.297 1.00 0.48 C ATOM 589 C ALA A 37 17.334 -5.949 10.494 1.00 0.55 C ATOM 590 O ALA A 37 16.373 -5.569 11.132 1.00 1.10 O ATOM 591 CB ALA A 37 17.117 -7.877 8.919 1.00 0.42 C ATOM 0 H ALA A 37 16.153 -8.816 11.026 1.00 0.48 H new ATOM 0 HA ALA A 37 18.690 -7.619 10.366 1.00 0.48 H new ATOM 0 HB1 ALA A 37 17.629 -7.302 8.147 1.00 0.42 H new ATOM 0 HB2 ALA A 37 17.322 -8.938 8.777 1.00 0.42 H new ATOM 0 HB3 ALA A 37 16.043 -7.702 8.849 1.00 0.42 H new ATOM 597 N THR A 38 18.164 -5.100 9.949 1.00 0.45 N ATOM 598 CA THR A 38 17.940 -3.635 10.105 1.00 0.46 C ATOM 599 C THR A 38 16.555 -3.270 9.571 1.00 0.40 C ATOM 600 O THR A 38 16.034 -3.907 8.677 1.00 0.36 O ATOM 601 CB THR A 38 19.000 -2.866 9.314 1.00 0.48 C ATOM 602 OG1 THR A 38 18.871 -3.173 7.932 1.00 0.66 O ATOM 603 CG2 THR A 38 20.393 -3.264 9.799 1.00 0.66 C ATOM 0 H THR A 38 18.986 -5.358 9.403 1.00 0.45 H new ATOM 0 HA THR A 38 18.008 -3.372 11.161 1.00 0.46 H new ATOM 0 HB THR A 38 18.860 -1.796 9.465 1.00 0.48 H new ATOM 0 HG1 THR A 38 19.560 -3.821 7.675 1.00 0.66 H new ATOM 0 HG21 THR A 38 21.146 -2.715 9.234 1.00 0.66 H new ATOM 0 HG22 THR A 38 20.491 -3.028 10.859 1.00 0.66 H new ATOM 0 HG23 THR A 38 20.538 -4.334 9.651 1.00 0.66 H new ATOM 611 N ILE A 39 15.956 -2.245 10.110 1.00 0.47 N ATOM 612 CA ILE A 39 14.607 -1.832 9.634 1.00 0.45 C ATOM 613 C ILE A 39 14.682 -1.485 8.142 1.00 0.40 C ATOM 614 O ILE A 39 13.806 -1.825 7.372 1.00 0.38 O ATOM 615 CB ILE A 39 14.148 -0.607 10.446 1.00 0.55 C ATOM 616 CG1 ILE A 39 13.639 -1.068 11.821 1.00 0.73 C ATOM 617 CG2 ILE A 39 13.018 0.132 9.717 1.00 0.53 C ATOM 618 CD1 ILE A 39 13.462 0.139 12.753 1.00 0.73 C ATOM 0 H ILE A 39 16.344 -1.674 10.861 1.00 0.47 H new ATOM 0 HA ILE A 39 13.892 -2.643 9.771 1.00 0.45 H new ATOM 0 HB ILE A 39 14.995 0.069 10.565 1.00 0.55 H new ATOM 0 HG12 ILE A 39 12.690 -1.592 11.709 1.00 0.73 H new ATOM 0 HG13 ILE A 39 14.343 -1.775 12.259 1.00 0.73 H new ATOM 0 HG21 ILE A 39 12.707 0.994 10.307 1.00 0.53 H new ATOM 0 HG22 ILE A 39 13.372 0.467 8.742 1.00 0.53 H new ATOM 0 HG23 ILE A 39 12.170 -0.540 9.583 1.00 0.53 H new ATOM 0 HD11 ILE A 39 13.101 -0.201 13.724 1.00 0.73 H new ATOM 0 HD12 ILE A 39 14.419 0.645 12.879 1.00 0.73 H new ATOM 0 HD13 ILE A 39 12.740 0.831 12.319 1.00 0.73 H new ATOM 630 N GLN A 40 15.713 -0.801 7.733 1.00 0.42 N ATOM 631 CA GLN A 40 15.833 -0.425 6.296 1.00 0.43 C ATOM 632 C GLN A 40 15.788 -1.684 5.429 1.00 0.35 C ATOM 633 O GLN A 40 15.368 -1.650 4.289 1.00 0.37 O ATOM 634 CB GLN A 40 17.159 0.311 6.073 1.00 0.53 C ATOM 635 CG GLN A 40 17.226 0.851 4.639 1.00 1.38 C ATOM 636 CD GLN A 40 16.157 1.929 4.442 1.00 1.91 C ATOM 637 OE1 GLN A 40 15.577 2.038 3.380 1.00 2.54 O ATOM 638 NE2 GLN A 40 15.870 2.735 5.428 1.00 2.43 N ATOM 0 H GLN A 40 16.477 -0.486 8.330 1.00 0.42 H new ATOM 0 HA GLN A 40 15.005 0.228 6.020 1.00 0.43 H new ATOM 0 HB2 GLN A 40 17.253 1.132 6.784 1.00 0.53 H new ATOM 0 HB3 GLN A 40 17.994 -0.365 6.255 1.00 0.53 H new ATOM 0 HG2 GLN A 40 18.215 1.266 4.442 1.00 1.38 H new ATOM 0 HG3 GLN A 40 17.073 0.040 3.927 1.00 1.38 H new ATOM 0 HE21 GLN A 40 16.357 2.644 6.320 1.00 2.43 H new ATOM 0 HE22 GLN A 40 15.159 3.456 5.307 1.00 2.43 H new ATOM 647 N SER A 41 16.217 -2.795 5.958 1.00 0.31 N ATOM 648 CA SER A 41 16.200 -4.054 5.159 1.00 0.28 C ATOM 649 C SER A 41 14.754 -4.515 4.968 1.00 0.24 C ATOM 650 O SER A 41 14.338 -4.853 3.878 1.00 0.25 O ATOM 651 CB SER A 41 16.988 -5.137 5.897 1.00 0.29 C ATOM 652 OG SER A 41 16.183 -5.676 6.938 1.00 1.32 O ATOM 0 H SER A 41 16.578 -2.887 6.907 1.00 0.31 H new ATOM 0 HA SER A 41 16.656 -3.874 4.186 1.00 0.28 H new ATOM 0 HB2 SER A 41 17.282 -5.925 5.204 1.00 0.29 H new ATOM 0 HB3 SER A 41 17.905 -4.718 6.311 1.00 0.29 H new ATOM 0 HG SER A 41 16.435 -5.267 7.792 1.00 1.32 H new ATOM 658 N ARG A 42 13.986 -4.529 6.021 1.00 0.22 N ATOM 659 CA ARG A 42 12.567 -4.965 5.903 1.00 0.21 C ATOM 660 C ARG A 42 11.794 -3.953 5.055 1.00 0.20 C ATOM 661 O ARG A 42 10.904 -4.304 4.307 1.00 0.20 O ATOM 662 CB ARG A 42 11.944 -5.037 7.301 1.00 0.24 C ATOM 663 CG ARG A 42 12.638 -6.133 8.123 1.00 0.52 C ATOM 664 CD ARG A 42 12.380 -5.903 9.616 1.00 0.82 C ATOM 665 NE ARG A 42 10.976 -5.444 9.814 1.00 1.50 N ATOM 666 CZ ARG A 42 10.448 -5.456 11.007 1.00 1.92 C ATOM 667 NH1 ARG A 42 11.151 -5.866 12.028 1.00 1.83 N ATOM 668 NH2 ARG A 42 9.218 -5.056 11.181 1.00 2.91 N ATOM 0 H ARG A 42 14.280 -4.257 6.959 1.00 0.22 H new ATOM 0 HA ARG A 42 12.523 -5.946 5.430 1.00 0.21 H new ATOM 0 HB2 ARG A 42 12.043 -4.075 7.803 1.00 0.24 H new ATOM 0 HB3 ARG A 42 10.877 -5.248 7.224 1.00 0.24 H new ATOM 0 HG2 ARG A 42 12.265 -7.114 7.827 1.00 0.52 H new ATOM 0 HG3 ARG A 42 13.710 -6.126 7.924 1.00 0.52 H new ATOM 0 HD2 ARG A 42 12.554 -6.824 10.172 1.00 0.82 H new ATOM 0 HD3 ARG A 42 13.075 -5.159 10.006 1.00 0.82 H new ATOM 0 HE ARG A 42 10.428 -5.121 9.017 1.00 1.50 H new ATOM 0 HH11 ARG A 42 12.113 -6.177 11.893 1.00 1.83 H new ATOM 0 HH12 ARG A 42 10.738 -5.875 12.961 1.00 1.83 H new ATOM 0 HH21 ARG A 42 8.669 -4.734 10.384 1.00 2.91 H new ATOM 0 HH22 ARG A 42 8.806 -5.066 12.114 1.00 2.91 H new ATOM 682 N PHE A 43 12.119 -2.695 5.179 1.00 0.22 N ATOM 683 CA PHE A 43 11.395 -1.653 4.398 1.00 0.24 C ATOM 684 C PHE A 43 11.402 -2.009 2.907 1.00 0.23 C ATOM 685 O PHE A 43 10.367 -2.063 2.272 1.00 0.23 O ATOM 686 CB PHE A 43 12.078 -0.292 4.612 1.00 0.28 C ATOM 687 CG PHE A 43 11.086 0.824 4.362 1.00 0.38 C ATOM 688 CD1 PHE A 43 10.796 1.225 3.053 1.00 1.40 C ATOM 689 CD2 PHE A 43 10.456 1.454 5.443 1.00 1.18 C ATOM 690 CE1 PHE A 43 9.875 2.255 2.824 1.00 1.48 C ATOM 691 CE2 PHE A 43 9.537 2.484 5.214 1.00 1.22 C ATOM 692 CZ PHE A 43 9.246 2.885 3.906 1.00 0.70 C ATOM 0 H PHE A 43 12.857 -2.343 5.789 1.00 0.22 H new ATOM 0 HA PHE A 43 10.361 -1.602 4.740 1.00 0.24 H new ATOM 0 HB2 PHE A 43 12.466 -0.225 5.628 1.00 0.28 H new ATOM 0 HB3 PHE A 43 12.929 -0.192 3.939 1.00 0.28 H new ATOM 0 HD1 PHE A 43 11.282 0.740 2.219 1.00 1.40 H new ATOM 0 HD2 PHE A 43 10.680 1.145 6.453 1.00 1.18 H new ATOM 0 HE1 PHE A 43 9.650 2.564 1.814 1.00 1.48 H new ATOM 0 HE2 PHE A 43 9.052 2.970 6.048 1.00 1.22 H new ATOM 0 HZ PHE A 43 8.537 3.680 3.730 1.00 0.70 H new ATOM 702 N ASN A 44 12.552 -2.244 2.336 1.00 0.24 N ATOM 703 CA ASN A 44 12.602 -2.582 0.884 1.00 0.24 C ATOM 704 C ASN A 44 11.958 -3.949 0.648 1.00 0.22 C ATOM 705 O ASN A 44 11.365 -4.194 -0.384 1.00 0.23 O ATOM 706 CB ASN A 44 14.061 -2.614 0.415 1.00 0.25 C ATOM 707 CG ASN A 44 14.848 -3.636 1.236 1.00 0.95 C ATOM 708 OD1 ASN A 44 14.481 -4.792 1.305 1.00 1.73 O ATOM 709 ND2 ASN A 44 15.928 -3.257 1.863 1.00 1.67 N ATOM 0 H ASN A 44 13.455 -2.217 2.809 1.00 0.24 H new ATOM 0 HA ASN A 44 12.056 -1.826 0.320 1.00 0.24 H new ATOM 0 HB2 ASN A 44 14.107 -2.872 -0.643 1.00 0.25 H new ATOM 0 HB3 ASN A 44 14.509 -1.626 0.522 1.00 0.25 H new ATOM 0 HD21 ASN A 44 16.463 -3.931 2.410 1.00 1.67 H new ATOM 0 HD22 ASN A 44 16.237 -2.287 1.806 1.00 1.67 H new ATOM 716 N TYR A 45 12.068 -4.842 1.591 1.00 0.21 N ATOM 717 CA TYR A 45 11.458 -6.189 1.412 1.00 0.20 C ATOM 718 C TYR A 45 9.940 -6.044 1.262 1.00 0.21 C ATOM 719 O TYR A 45 9.290 -6.845 0.619 1.00 0.22 O ATOM 720 CB TYR A 45 11.782 -7.053 2.634 1.00 0.20 C ATOM 721 CG TYR A 45 11.352 -8.485 2.386 1.00 0.21 C ATOM 722 CD1 TYR A 45 11.964 -9.236 1.372 1.00 1.12 C ATOM 723 CD2 TYR A 45 10.347 -9.067 3.173 1.00 1.33 C ATOM 724 CE1 TYR A 45 11.571 -10.560 1.146 1.00 1.05 C ATOM 725 CE2 TYR A 45 9.957 -10.392 2.946 1.00 1.43 C ATOM 726 CZ TYR A 45 10.568 -11.138 1.932 1.00 0.43 C ATOM 727 OH TYR A 45 10.183 -12.444 1.709 1.00 0.57 O ATOM 0 H TYR A 45 12.553 -4.698 2.477 1.00 0.21 H new ATOM 0 HA TYR A 45 11.861 -6.663 0.517 1.00 0.20 H new ATOM 0 HB2 TYR A 45 12.851 -7.017 2.842 1.00 0.20 H new ATOM 0 HB3 TYR A 45 11.273 -6.659 3.513 1.00 0.20 H new ATOM 0 HD1 TYR A 45 12.739 -8.792 0.765 1.00 1.12 H new ATOM 0 HD2 TYR A 45 9.874 -8.492 3.955 1.00 1.33 H new ATOM 0 HE1 TYR A 45 12.043 -11.136 0.364 1.00 1.05 H new ATOM 0 HE2 TYR A 45 9.184 -10.839 3.554 1.00 1.43 H new ATOM 0 HH TYR A 45 9.477 -12.690 2.342 1.00 0.57 H new ATOM 737 N ALA A 46 9.372 -5.022 1.846 1.00 0.22 N ATOM 738 CA ALA A 46 7.899 -4.821 1.734 1.00 0.24 C ATOM 739 C ALA A 46 7.570 -4.200 0.376 1.00 0.25 C ATOM 740 O ALA A 46 6.518 -4.434 -0.186 1.00 0.28 O ATOM 741 CB ALA A 46 7.426 -3.886 2.848 1.00 0.26 C ATOM 0 H ALA A 46 9.865 -4.318 2.396 1.00 0.22 H new ATOM 0 HA ALA A 46 7.394 -5.783 1.826 1.00 0.24 H new ATOM 0 HB1 ALA A 46 6.349 -3.739 2.767 1.00 0.26 H new ATOM 0 HB2 ALA A 46 7.660 -4.327 3.817 1.00 0.26 H new ATOM 0 HB3 ALA A 46 7.932 -2.925 2.756 1.00 0.26 H new ATOM 747 N TRP A 47 8.460 -3.410 -0.156 1.00 0.26 N ATOM 748 CA TRP A 47 8.198 -2.775 -1.476 1.00 0.29 C ATOM 749 C TRP A 47 8.073 -3.861 -2.549 1.00 0.29 C ATOM 750 O TRP A 47 7.183 -3.824 -3.377 1.00 0.29 O ATOM 751 CB TRP A 47 9.357 -1.826 -1.819 1.00 0.33 C ATOM 752 CG TRP A 47 9.263 -1.382 -3.250 1.00 0.34 C ATOM 753 CD1 TRP A 47 10.188 -1.643 -4.202 1.00 0.38 C ATOM 754 CD2 TRP A 47 8.212 -0.608 -3.903 1.00 0.35 C ATOM 755 NE1 TRP A 47 9.773 -1.081 -5.396 1.00 0.40 N ATOM 756 CE2 TRP A 47 8.562 -0.433 -5.264 1.00 0.38 C ATOM 757 CE3 TRP A 47 7.003 -0.047 -3.453 1.00 0.36 C ATOM 758 CZ2 TRP A 47 7.741 0.272 -6.147 1.00 0.42 C ATOM 759 CZ3 TRP A 47 6.175 0.663 -4.338 1.00 0.42 C ATOM 760 CH2 TRP A 47 6.543 0.822 -5.682 1.00 0.44 C ATOM 0 H TRP A 47 9.358 -3.177 0.267 1.00 0.26 H new ATOM 0 HA TRP A 47 7.268 -2.207 -1.436 1.00 0.29 H new ATOM 0 HB2 TRP A 47 9.332 -0.958 -1.160 1.00 0.33 H new ATOM 0 HB3 TRP A 47 10.309 -2.328 -1.649 1.00 0.33 H new ATOM 0 HD1 TRP A 47 11.102 -2.199 -4.054 1.00 0.38 H new ATOM 0 HE1 TRP A 47 10.299 -1.139 -6.268 1.00 0.40 H new ATOM 0 HE3 TRP A 47 6.709 -0.163 -2.420 1.00 0.36 H new ATOM 0 HZ2 TRP A 47 8.029 0.391 -7.181 1.00 0.42 H new ATOM 0 HZ3 TRP A 47 5.249 1.089 -3.981 1.00 0.42 H new ATOM 0 HH2 TRP A 47 5.901 1.369 -6.357 1.00 0.44 H new ATOM 771 N GLY A 48 8.973 -4.807 -2.572 1.00 0.29 N ATOM 772 CA GLY A 48 8.911 -5.861 -3.621 1.00 0.30 C ATOM 773 C GLY A 48 7.665 -6.721 -3.436 1.00 0.27 C ATOM 774 O GLY A 48 7.011 -7.090 -4.391 1.00 0.29 O ATOM 0 H GLY A 48 9.745 -4.894 -1.912 1.00 0.29 H new ATOM 0 HA2 GLY A 48 8.899 -5.400 -4.609 1.00 0.30 H new ATOM 0 HA3 GLY A 48 9.803 -6.486 -3.571 1.00 0.30 H new ATOM 778 N LEU A 49 7.322 -7.042 -2.222 1.00 0.25 N ATOM 779 CA LEU A 49 6.110 -7.875 -2.001 1.00 0.24 C ATOM 780 C LEU A 49 4.896 -7.141 -2.567 1.00 0.24 C ATOM 781 O LEU A 49 3.921 -7.748 -2.966 1.00 0.29 O ATOM 782 CB LEU A 49 5.920 -8.119 -0.500 1.00 0.23 C ATOM 783 CG LEU A 49 7.036 -9.038 0.027 1.00 0.23 C ATOM 784 CD1 LEU A 49 7.063 -8.983 1.562 1.00 0.24 C ATOM 785 CD2 LEU A 49 6.792 -10.493 -0.424 1.00 0.26 C ATOM 0 H LEU A 49 7.824 -6.766 -1.378 1.00 0.25 H new ATOM 0 HA LEU A 49 6.223 -8.836 -2.503 1.00 0.24 H new ATOM 0 HB2 LEU A 49 5.935 -7.170 0.036 1.00 0.23 H new ATOM 0 HB3 LEU A 49 4.946 -8.573 -0.317 1.00 0.23 H new ATOM 0 HG LEU A 49 7.990 -8.696 -0.374 1.00 0.23 H new ATOM 0 HD11 LEU A 49 7.853 -9.634 1.936 1.00 0.24 H new ATOM 0 HD12 LEU A 49 7.252 -7.960 1.886 1.00 0.24 H new ATOM 0 HD13 LEU A 49 6.103 -9.316 1.955 1.00 0.24 H new ATOM 0 HD21 LEU A 49 7.590 -11.131 -0.043 1.00 0.26 H new ATOM 0 HD22 LEU A 49 5.834 -10.839 -0.035 1.00 0.26 H new ATOM 0 HD23 LEU A 49 6.779 -10.539 -1.513 1.00 0.26 H new ATOM 797 N ILE A 50 4.949 -5.838 -2.614 1.00 0.24 N ATOM 798 CA ILE A 50 3.799 -5.068 -3.162 1.00 0.26 C ATOM 799 C ILE A 50 3.830 -5.123 -4.692 1.00 0.27 C ATOM 800 O ILE A 50 2.804 -5.060 -5.339 1.00 0.29 O ATOM 801 CB ILE A 50 3.879 -3.612 -2.691 1.00 0.28 C ATOM 802 CG1 ILE A 50 3.606 -3.557 -1.185 1.00 0.32 C ATOM 803 CG2 ILE A 50 2.831 -2.768 -3.428 1.00 0.32 C ATOM 804 CD1 ILE A 50 3.960 -2.168 -0.651 1.00 0.73 C ATOM 0 H ILE A 50 5.738 -5.275 -2.297 1.00 0.24 H new ATOM 0 HA ILE A 50 2.867 -5.506 -2.805 1.00 0.26 H new ATOM 0 HB ILE A 50 4.872 -3.216 -2.904 1.00 0.28 H new ATOM 0 HG12 ILE A 50 2.557 -3.778 -0.987 1.00 0.32 H new ATOM 0 HG13 ILE A 50 4.194 -4.317 -0.670 1.00 0.32 H new ATOM 0 HG21 ILE A 50 2.893 -1.734 -3.089 1.00 0.32 H new ATOM 0 HG22 ILE A 50 3.019 -2.810 -4.501 1.00 0.32 H new ATOM 0 HG23 ILE A 50 1.836 -3.160 -3.219 1.00 0.32 H new ATOM 0 HD11 ILE A 50 3.765 -2.130 0.421 1.00 0.73 H new ATOM 0 HD12 ILE A 50 5.015 -1.965 -0.836 1.00 0.73 H new ATOM 0 HD13 ILE A 50 3.352 -1.418 -1.157 1.00 0.73 H new ATOM 816 N LYS A 51 4.989 -5.242 -5.287 1.00 0.28 N ATOM 817 CA LYS A 51 5.060 -5.302 -6.776 1.00 0.31 C ATOM 818 C LYS A 51 4.528 -6.649 -7.261 1.00 0.31 C ATOM 819 O LYS A 51 4.254 -6.836 -8.429 1.00 0.36 O ATOM 820 CB LYS A 51 6.526 -5.156 -7.208 1.00 0.37 C ATOM 821 CG LYS A 51 7.050 -3.746 -6.856 1.00 0.72 C ATOM 822 CD LYS A 51 6.818 -2.775 -8.032 1.00 0.79 C ATOM 823 CE LYS A 51 7.988 -2.861 -9.020 1.00 0.87 C ATOM 824 NZ LYS A 51 9.239 -2.409 -8.346 1.00 1.58 N ATOM 0 H LYS A 51 5.887 -5.300 -4.807 1.00 0.28 H new ATOM 0 HA LYS A 51 4.459 -4.500 -7.205 1.00 0.31 H new ATOM 0 HB2 LYS A 51 7.135 -5.912 -6.713 1.00 0.37 H new ATOM 0 HB3 LYS A 51 6.615 -5.327 -8.281 1.00 0.37 H new ATOM 0 HG2 LYS A 51 6.543 -3.375 -5.965 1.00 0.72 H new ATOM 0 HG3 LYS A 51 8.113 -3.795 -6.621 1.00 0.72 H new ATOM 0 HD2 LYS A 51 5.884 -3.020 -8.538 1.00 0.79 H new ATOM 0 HD3 LYS A 51 6.720 -1.755 -7.659 1.00 0.79 H new ATOM 0 HE2 LYS A 51 8.103 -3.885 -9.376 1.00 0.87 H new ATOM 0 HE3 LYS A 51 7.787 -2.240 -9.893 1.00 0.87 H new ATOM 0 HZ1 LYS A 51 9.710 -1.691 -8.933 1.00 1.58 H new ATOM 0 HZ2 LYS A 51 9.005 -1.999 -7.419 1.00 1.58 H new ATOM 0 HZ3 LYS A 51 9.876 -3.221 -8.215 1.00 1.58 H new ATOM 838 N SER A 52 4.387 -7.593 -6.373 1.00 0.32 N ATOM 839 CA SER A 52 3.881 -8.932 -6.783 1.00 0.34 C ATOM 840 C SER A 52 2.452 -8.805 -7.315 1.00 0.35 C ATOM 841 O SER A 52 1.771 -7.828 -7.073 1.00 0.36 O ATOM 842 CB SER A 52 3.894 -9.870 -5.579 1.00 0.36 C ATOM 843 OG SER A 52 3.269 -11.096 -5.933 1.00 1.14 O ATOM 0 H SER A 52 4.600 -7.495 -5.380 1.00 0.32 H new ATOM 0 HA SER A 52 4.522 -9.335 -7.567 1.00 0.34 H new ATOM 0 HB2 SER A 52 4.919 -10.051 -5.255 1.00 0.36 H new ATOM 0 HB3 SER A 52 3.371 -9.411 -4.740 1.00 0.36 H new ATOM 0 HG SER A 52 3.288 -11.706 -5.166 1.00 1.14 H new ATOM 849 N THR A 53 2.001 -9.788 -8.047 1.00 0.38 N ATOM 850 CA THR A 53 0.620 -9.737 -8.612 1.00 0.41 C ATOM 851 C THR A 53 -0.375 -10.346 -7.620 1.00 0.40 C ATOM 852 O THR A 53 -1.520 -9.942 -7.555 1.00 0.52 O ATOM 853 CB THR A 53 0.579 -10.531 -9.918 1.00 0.46 C ATOM 854 OG1 THR A 53 0.786 -11.908 -9.638 1.00 0.51 O ATOM 855 CG2 THR A 53 1.676 -10.029 -10.859 1.00 0.49 C ATOM 0 H THR A 53 2.531 -10.628 -8.279 1.00 0.38 H new ATOM 0 HA THR A 53 0.349 -8.698 -8.800 1.00 0.41 H new ATOM 0 HB THR A 53 -0.392 -10.398 -10.394 1.00 0.46 H new ATOM 0 HG1 THR A 53 0.758 -12.419 -10.473 1.00 0.51 H new ATOM 0 HG21 THR A 53 1.645 -10.596 -11.789 1.00 0.49 H new ATOM 0 HG22 THR A 53 1.516 -8.972 -11.073 1.00 0.49 H new ATOM 0 HG23 THR A 53 2.649 -10.160 -10.386 1.00 0.49 H new ATOM 863 N ASP A 54 0.041 -11.315 -6.850 1.00 0.39 N ATOM 864 CA ASP A 54 -0.902 -11.938 -5.875 1.00 0.38 C ATOM 865 C ASP A 54 -1.123 -10.989 -4.693 1.00 0.37 C ATOM 866 O ASP A 54 -0.269 -10.210 -4.322 1.00 0.36 O ATOM 867 CB ASP A 54 -0.353 -13.279 -5.384 1.00 0.38 C ATOM 868 CG ASP A 54 1.044 -13.071 -4.791 1.00 1.31 C ATOM 869 OD1 ASP A 54 1.129 -12.532 -3.700 1.00 2.18 O ATOM 870 OD2 ASP A 54 2.004 -13.454 -5.439 1.00 1.86 O ATOM 0 H ASP A 54 0.985 -11.700 -6.853 1.00 0.39 H new ATOM 0 HA ASP A 54 -1.856 -12.119 -6.370 1.00 0.38 H new ATOM 0 HB2 ASP A 54 -1.019 -13.704 -4.633 1.00 0.38 H new ATOM 0 HB3 ASP A 54 -0.308 -13.990 -6.209 1.00 0.38 H new ATOM 875 N VAL A 55 -2.290 -11.069 -4.109 1.00 0.37 N ATOM 876 CA VAL A 55 -2.643 -10.202 -2.950 1.00 0.37 C ATOM 877 C VAL A 55 -2.023 -10.760 -1.663 1.00 0.35 C ATOM 878 O VAL A 55 -1.896 -10.067 -0.673 1.00 0.35 O ATOM 879 CB VAL A 55 -4.171 -10.149 -2.820 1.00 0.39 C ATOM 880 CG1 VAL A 55 -4.703 -11.472 -2.259 1.00 0.42 C ATOM 881 CG2 VAL A 55 -4.567 -9.002 -1.890 1.00 0.40 C ATOM 0 H VAL A 55 -3.027 -11.713 -4.394 1.00 0.37 H new ATOM 0 HA VAL A 55 -2.252 -9.197 -3.111 1.00 0.37 H new ATOM 0 HB VAL A 55 -4.603 -9.985 -3.807 1.00 0.39 H new ATOM 0 HG11 VAL A 55 -5.788 -11.420 -2.172 1.00 0.42 H new ATOM 0 HG12 VAL A 55 -4.431 -12.287 -2.930 1.00 0.42 H new ATOM 0 HG13 VAL A 55 -4.268 -11.651 -1.276 1.00 0.42 H new ATOM 0 HG21 VAL A 55 -5.653 -8.966 -1.799 1.00 0.40 H new ATOM 0 HG22 VAL A 55 -4.125 -9.162 -0.906 1.00 0.40 H new ATOM 0 HG23 VAL A 55 -4.206 -8.059 -2.301 1.00 0.40 H new ATOM 891 N ASN A 56 -1.622 -11.999 -1.680 1.00 0.34 N ATOM 892 CA ASN A 56 -0.996 -12.598 -0.465 1.00 0.34 C ATOM 893 C ASN A 56 0.251 -11.793 -0.092 1.00 0.31 C ATOM 894 O ASN A 56 0.432 -11.392 1.042 1.00 0.31 O ATOM 895 CB ASN A 56 -0.596 -14.047 -0.757 1.00 0.36 C ATOM 896 CG ASN A 56 -0.232 -14.753 0.551 1.00 1.34 C ATOM 897 OD1 ASN A 56 0.928 -14.854 0.898 1.00 2.14 O ATOM 898 ND2 ASN A 56 -1.180 -15.252 1.298 1.00 2.11 N ATOM 0 H ASN A 56 -1.700 -12.625 -2.482 1.00 0.34 H new ATOM 0 HA ASN A 56 -1.708 -12.578 0.360 1.00 0.34 H new ATOM 0 HB2 ASN A 56 -1.417 -14.570 -1.248 1.00 0.36 H new ATOM 0 HB3 ASN A 56 0.251 -14.070 -1.442 1.00 0.36 H new ATOM 0 HD21 ASN A 56 -0.946 -15.725 2.171 1.00 2.11 H new ATOM 0 HD22 ASN A 56 -2.155 -15.168 1.009 1.00 2.11 H new ATOM 905 N ASP A 57 1.113 -11.556 -1.041 1.00 0.30 N ATOM 906 CA ASP A 57 2.351 -10.783 -0.756 1.00 0.30 C ATOM 907 C ASP A 57 1.992 -9.328 -0.441 1.00 0.29 C ATOM 908 O ASP A 57 2.631 -8.683 0.367 1.00 0.28 O ATOM 909 CB ASP A 57 3.258 -10.833 -1.986 1.00 0.33 C ATOM 910 CG ASP A 57 3.806 -12.251 -2.158 1.00 0.42 C ATOM 911 OD1 ASP A 57 4.111 -12.873 -1.154 1.00 1.09 O ATOM 912 OD2 ASP A 57 3.907 -12.692 -3.291 1.00 1.23 O ATOM 0 H ASP A 57 1.011 -11.867 -2.007 1.00 0.30 H new ATOM 0 HA ASP A 57 2.866 -11.215 0.102 1.00 0.30 H new ATOM 0 HB2 ASP A 57 2.700 -10.537 -2.875 1.00 0.33 H new ATOM 0 HB3 ASP A 57 4.079 -10.125 -1.874 1.00 0.33 H new ATOM 917 N GLU A 58 0.976 -8.804 -1.073 1.00 0.33 N ATOM 918 CA GLU A 58 0.582 -7.390 -0.808 1.00 0.36 C ATOM 919 C GLU A 58 0.138 -7.241 0.650 1.00 0.34 C ATOM 920 O GLU A 58 0.371 -6.228 1.278 1.00 0.34 O ATOM 921 CB GLU A 58 -0.575 -6.997 -1.730 1.00 0.42 C ATOM 922 CG GLU A 58 -0.132 -7.111 -3.191 1.00 0.92 C ATOM 923 CD GLU A 58 -1.333 -6.875 -4.109 1.00 1.66 C ATOM 924 OE1 GLU A 58 -2.424 -6.696 -3.592 1.00 2.45 O ATOM 925 OE2 GLU A 58 -1.143 -6.876 -5.314 1.00 2.21 O ATOM 0 H GLU A 58 0.403 -9.293 -1.760 1.00 0.33 H new ATOM 0 HA GLU A 58 1.437 -6.740 -0.996 1.00 0.36 H new ATOM 0 HB2 GLU A 58 -1.433 -7.644 -1.549 1.00 0.42 H new ATOM 0 HB3 GLU A 58 -0.894 -5.977 -1.515 1.00 0.42 H new ATOM 0 HG2 GLU A 58 0.650 -6.382 -3.403 1.00 0.92 H new ATOM 0 HG3 GLU A 58 0.293 -8.097 -3.377 1.00 0.92 H new ATOM 932 N ARG A 59 -0.504 -8.239 1.192 1.00 0.33 N ATOM 933 CA ARG A 59 -0.966 -8.148 2.608 1.00 0.34 C ATOM 934 C ARG A 59 0.232 -8.265 3.550 1.00 0.30 C ATOM 935 O ARG A 59 0.223 -7.738 4.644 1.00 0.31 O ATOM 936 CB ARG A 59 -1.949 -9.286 2.901 1.00 0.40 C ATOM 937 CG ARG A 59 -3.295 -8.988 2.237 1.00 0.68 C ATOM 938 CD ARG A 59 -4.235 -10.183 2.423 1.00 0.95 C ATOM 939 NE ARG A 59 -3.849 -11.272 1.482 1.00 1.62 N ATOM 940 CZ ARG A 59 -4.283 -12.487 1.676 1.00 2.13 C ATOM 941 NH1 ARG A 59 -5.033 -12.756 2.709 1.00 2.23 N ATOM 942 NH2 ARG A 59 -3.960 -13.435 0.838 1.00 3.12 N ATOM 0 H ARG A 59 -0.729 -9.113 0.717 1.00 0.33 H new ATOM 0 HA ARG A 59 -1.459 -7.188 2.762 1.00 0.34 H new ATOM 0 HB2 ARG A 59 -1.550 -10.229 2.529 1.00 0.40 H new ATOM 0 HB3 ARG A 59 -2.080 -9.398 3.977 1.00 0.40 H new ATOM 0 HG2 ARG A 59 -3.737 -8.093 2.674 1.00 0.68 H new ATOM 0 HG3 ARG A 59 -3.152 -8.787 1.175 1.00 0.68 H new ATOM 0 HD2 ARG A 59 -4.185 -10.542 3.451 1.00 0.95 H new ATOM 0 HD3 ARG A 59 -5.266 -9.880 2.241 1.00 0.95 H new ATOM 0 HE ARG A 59 -3.245 -11.067 0.686 1.00 1.62 H new ATOM 0 HH11 ARG A 59 -5.281 -12.016 3.366 1.00 2.23 H new ATOM 0 HH12 ARG A 59 -5.372 -13.706 2.860 1.00 2.23 H new ATOM 0 HH21 ARG A 59 -3.369 -13.225 0.033 1.00 3.12 H new ATOM 0 HH22 ARG A 59 -4.298 -14.385 0.988 1.00 3.12 H new ATOM 956 N LEU A 60 1.271 -8.934 3.132 1.00 0.28 N ATOM 957 CA LEU A 60 2.465 -9.061 4.011 1.00 0.27 C ATOM 958 C LEU A 60 3.228 -7.735 3.994 1.00 0.25 C ATOM 959 O LEU A 60 3.706 -7.268 5.009 1.00 0.26 O ATOM 960 CB LEU A 60 3.362 -10.194 3.494 1.00 0.29 C ATOM 961 CG LEU A 60 4.633 -10.315 4.350 1.00 0.30 C ATOM 962 CD1 LEU A 60 4.266 -10.557 5.824 1.00 0.32 C ATOM 963 CD2 LEU A 60 5.468 -11.491 3.833 1.00 0.34 C ATOM 0 H LEU A 60 1.344 -9.395 2.225 1.00 0.28 H new ATOM 0 HA LEU A 60 2.160 -9.293 5.031 1.00 0.27 H new ATOM 0 HB2 LEU A 60 2.814 -11.136 3.513 1.00 0.29 H new ATOM 0 HB3 LEU A 60 3.634 -10.004 2.456 1.00 0.29 H new ATOM 0 HG LEU A 60 5.203 -9.388 4.280 1.00 0.30 H new ATOM 0 HD11 LEU A 60 5.177 -10.640 6.417 1.00 0.32 H new ATOM 0 HD12 LEU A 60 3.669 -9.723 6.192 1.00 0.32 H new ATOM 0 HD13 LEU A 60 3.692 -11.480 5.909 1.00 0.32 H new ATOM 0 HD21 LEU A 60 6.373 -11.586 4.433 1.00 0.34 H new ATOM 0 HD22 LEU A 60 4.886 -12.410 3.905 1.00 0.34 H new ATOM 0 HD23 LEU A 60 5.740 -11.314 2.792 1.00 0.34 H new ATOM 975 N GLY A 61 3.348 -7.124 2.846 1.00 0.22 N ATOM 976 CA GLY A 61 4.078 -5.828 2.761 1.00 0.21 C ATOM 977 C GLY A 61 3.355 -4.772 3.600 1.00 0.20 C ATOM 978 O GLY A 61 3.973 -4.003 4.309 1.00 0.21 O ATOM 0 H GLY A 61 2.971 -7.468 1.963 1.00 0.22 H new ATOM 0 HA2 GLY A 61 5.101 -5.952 3.117 1.00 0.21 H new ATOM 0 HA3 GLY A 61 4.140 -5.502 1.723 1.00 0.21 H new ATOM 982 N VAL A 62 2.052 -4.727 3.529 1.00 0.20 N ATOM 983 CA VAL A 62 1.302 -3.717 4.330 1.00 0.21 C ATOM 984 C VAL A 62 1.604 -3.943 5.815 1.00 0.22 C ATOM 985 O VAL A 62 1.908 -3.021 6.545 1.00 0.25 O ATOM 986 CB VAL A 62 -0.215 -3.860 4.051 1.00 0.23 C ATOM 987 CG1 VAL A 62 -1.041 -3.467 5.289 1.00 0.28 C ATOM 988 CG2 VAL A 62 -0.608 -2.952 2.876 1.00 0.31 C ATOM 0 H VAL A 62 1.477 -5.343 2.954 1.00 0.20 H new ATOM 0 HA VAL A 62 1.609 -2.709 4.053 1.00 0.21 H new ATOM 0 HB VAL A 62 -0.422 -4.902 3.807 1.00 0.23 H new ATOM 0 HG11 VAL A 62 -2.103 -3.576 5.068 1.00 0.28 H new ATOM 0 HG12 VAL A 62 -0.776 -4.116 6.124 1.00 0.28 H new ATOM 0 HG13 VAL A 62 -0.830 -2.431 5.553 1.00 0.28 H new ATOM 0 HG21 VAL A 62 -1.675 -3.053 2.680 1.00 0.31 H new ATOM 0 HG22 VAL A 62 -0.381 -1.915 3.125 1.00 0.31 H new ATOM 0 HG23 VAL A 62 -0.047 -3.243 1.988 1.00 0.31 H new ATOM 998 N LYS A 63 1.513 -5.161 6.264 1.00 0.24 N ATOM 999 CA LYS A 63 1.786 -5.446 7.696 1.00 0.28 C ATOM 1000 C LYS A 63 3.212 -5.009 8.044 1.00 0.26 C ATOM 1001 O LYS A 63 3.453 -4.408 9.072 1.00 0.29 O ATOM 1002 CB LYS A 63 1.626 -6.948 7.945 1.00 0.33 C ATOM 1003 CG LYS A 63 1.659 -7.248 9.464 1.00 0.47 C ATOM 1004 CD LYS A 63 2.389 -8.578 9.733 1.00 0.58 C ATOM 1005 CE LYS A 63 3.903 -8.341 9.774 1.00 1.60 C ATOM 1006 NZ LYS A 63 4.605 -9.640 9.969 1.00 2.36 N ATOM 0 H LYS A 63 1.261 -5.972 5.700 1.00 0.24 H new ATOM 0 HA LYS A 63 1.084 -4.896 8.323 1.00 0.28 H new ATOM 0 HB2 LYS A 63 0.685 -7.296 7.519 1.00 0.33 H new ATOM 0 HB3 LYS A 63 2.424 -7.494 7.442 1.00 0.33 H new ATOM 0 HG2 LYS A 63 2.162 -6.437 9.991 1.00 0.47 H new ATOM 0 HG3 LYS A 63 0.642 -7.299 9.853 1.00 0.47 H new ATOM 0 HD2 LYS A 63 2.053 -9.003 10.679 1.00 0.58 H new ATOM 0 HD3 LYS A 63 2.146 -9.301 8.954 1.00 0.58 H new ATOM 0 HE2 LYS A 63 4.234 -7.873 8.847 1.00 1.60 H new ATOM 0 HE3 LYS A 63 4.153 -7.656 10.584 1.00 1.60 H new ATOM 0 HZ1 LYS A 63 5.632 -9.479 9.997 1.00 2.36 H new ATOM 0 HZ2 LYS A 63 4.298 -10.070 10.865 1.00 2.36 H new ATOM 0 HZ3 LYS A 63 4.376 -10.280 9.182 1.00 2.36 H new ATOM 1020 N ILE A 64 4.159 -5.299 7.193 1.00 0.25 N ATOM 1021 CA ILE A 64 5.563 -4.890 7.477 1.00 0.25 C ATOM 1022 C ILE A 64 5.644 -3.361 7.483 1.00 0.22 C ATOM 1023 O ILE A 64 6.173 -2.759 8.396 1.00 0.22 O ATOM 1024 CB ILE A 64 6.488 -5.463 6.393 1.00 0.28 C ATOM 1025 CG1 ILE A 64 6.620 -6.976 6.591 1.00 0.33 C ATOM 1026 CG2 ILE A 64 7.875 -4.819 6.490 1.00 0.32 C ATOM 1027 CD1 ILE A 64 7.262 -7.602 5.352 1.00 0.35 C ATOM 0 H ILE A 64 4.021 -5.800 6.316 1.00 0.25 H new ATOM 0 HA ILE A 64 5.876 -5.272 8.449 1.00 0.25 H new ATOM 0 HB ILE A 64 6.063 -5.251 5.412 1.00 0.28 H new ATOM 0 HG12 ILE A 64 7.226 -7.186 7.472 1.00 0.33 H new ATOM 0 HG13 ILE A 64 5.639 -7.417 6.767 1.00 0.33 H new ATOM 0 HG21 ILE A 64 8.523 -5.232 5.717 1.00 0.32 H new ATOM 0 HG22 ILE A 64 7.786 -3.742 6.351 1.00 0.32 H new ATOM 0 HG23 ILE A 64 8.304 -5.024 7.471 1.00 0.32 H new ATOM 0 HD11 ILE A 64 7.355 -8.679 5.495 1.00 0.35 H new ATOM 0 HD12 ILE A 64 6.639 -7.404 4.480 1.00 0.35 H new ATOM 0 HD13 ILE A 64 8.251 -7.170 5.197 1.00 0.35 H new ATOM 1039 N LEU A 65 5.119 -2.731 6.470 1.00 0.20 N ATOM 1040 CA LEU A 65 5.159 -1.244 6.409 1.00 0.19 C ATOM 1041 C LEU A 65 4.356 -0.659 7.575 1.00 0.19 C ATOM 1042 O LEU A 65 4.669 0.398 8.085 1.00 0.20 O ATOM 1043 CB LEU A 65 4.551 -0.770 5.080 1.00 0.22 C ATOM 1044 CG LEU A 65 5.562 -0.974 3.930 1.00 0.29 C ATOM 1045 CD1 LEU A 65 4.812 -1.155 2.606 1.00 0.69 C ATOM 1046 CD2 LEU A 65 6.483 0.248 3.815 1.00 0.42 C ATOM 0 H LEU A 65 4.662 -3.184 5.679 1.00 0.20 H new ATOM 0 HA LEU A 65 6.193 -0.907 6.478 1.00 0.19 H new ATOM 0 HB2 LEU A 65 3.636 -1.324 4.872 1.00 0.22 H new ATOM 0 HB3 LEU A 65 4.277 0.283 5.151 1.00 0.22 H new ATOM 0 HG LEU A 65 6.158 -1.862 4.143 1.00 0.29 H new ATOM 0 HD11 LEU A 65 5.529 -1.298 1.798 1.00 0.69 H new ATOM 0 HD12 LEU A 65 4.161 -2.027 2.673 1.00 0.69 H new ATOM 0 HD13 LEU A 65 4.211 -0.268 2.404 1.00 0.69 H new ATOM 0 HD21 LEU A 65 7.192 0.094 3.001 1.00 0.42 H new ATOM 0 HD22 LEU A 65 5.885 1.136 3.612 1.00 0.42 H new ATOM 0 HD23 LEU A 65 7.027 0.383 4.750 1.00 0.42 H new ATOM 1058 N THR A 66 3.337 -1.346 8.016 1.00 0.21 N ATOM 1059 CA THR A 66 2.529 -0.839 9.157 1.00 0.25 C ATOM 1060 C THR A 66 3.235 -1.179 10.474 1.00 0.28 C ATOM 1061 O THR A 66 3.104 -0.481 11.460 1.00 0.31 O ATOM 1062 CB THR A 66 1.156 -1.511 9.119 1.00 0.29 C ATOM 1063 OG1 THR A 66 0.574 -1.321 7.837 1.00 0.43 O ATOM 1064 CG2 THR A 66 0.255 -0.897 10.184 1.00 0.36 C ATOM 0 H THR A 66 3.030 -2.240 7.632 1.00 0.21 H new ATOM 0 HA THR A 66 2.415 0.243 9.084 1.00 0.25 H new ATOM 0 HB THR A 66 1.268 -2.577 9.314 1.00 0.29 H new ATOM 0 HG1 THR A 66 0.705 -2.127 7.296 1.00 0.43 H new ATOM 0 HG21 THR A 66 -0.723 -1.378 10.155 1.00 0.36 H new ATOM 0 HG22 THR A 66 0.702 -1.043 11.167 1.00 0.36 H new ATOM 0 HG23 THR A 66 0.141 0.170 9.993 1.00 0.36 H new ATOM 1072 N ASP A 67 3.999 -2.238 10.488 1.00 0.29 N ATOM 1073 CA ASP A 67 4.734 -2.615 11.730 1.00 0.34 C ATOM 1074 C ASP A 67 5.933 -1.677 11.887 1.00 0.32 C ATOM 1075 O ASP A 67 6.201 -1.160 12.953 1.00 0.35 O ATOM 1076 CB ASP A 67 5.221 -4.062 11.615 1.00 0.40 C ATOM 1077 CG ASP A 67 5.947 -4.465 12.899 1.00 1.30 C ATOM 1078 OD1 ASP A 67 5.886 -3.708 13.854 1.00 2.12 O ATOM 1079 OD2 ASP A 67 6.552 -5.525 12.905 1.00 1.94 O ATOM 0 H ASP A 67 4.146 -2.859 9.692 1.00 0.29 H new ATOM 0 HA ASP A 67 4.079 -2.530 12.597 1.00 0.34 H new ATOM 0 HB2 ASP A 67 4.376 -4.727 11.440 1.00 0.40 H new ATOM 0 HB3 ASP A 67 5.890 -4.164 10.760 1.00 0.40 H new ATOM 1084 N ILE A 68 6.642 -1.440 10.816 1.00 0.30 N ATOM 1085 CA ILE A 68 7.812 -0.519 10.871 1.00 0.29 C ATOM 1086 C ILE A 68 7.301 0.889 11.183 1.00 0.27 C ATOM 1087 O ILE A 68 7.967 1.688 11.808 1.00 0.31 O ATOM 1088 CB ILE A 68 8.520 -0.525 9.514 1.00 0.30 C ATOM 1089 CG1 ILE A 68 9.065 -1.931 9.234 1.00 0.34 C ATOM 1090 CG2 ILE A 68 9.675 0.479 9.528 1.00 0.33 C ATOM 1091 CD1 ILE A 68 9.455 -2.049 7.759 1.00 0.35 C ATOM 0 H ILE A 68 6.459 -1.848 9.899 1.00 0.30 H new ATOM 0 HA ILE A 68 8.515 -0.838 11.641 1.00 0.29 H new ATOM 0 HB ILE A 68 7.812 -0.244 8.734 1.00 0.30 H new ATOM 0 HG12 ILE A 68 9.931 -2.128 9.866 1.00 0.34 H new ATOM 0 HG13 ILE A 68 8.312 -2.679 9.482 1.00 0.34 H new ATOM 0 HG21 ILE A 68 10.176 0.471 8.560 1.00 0.33 H new ATOM 0 HG22 ILE A 68 9.287 1.478 9.727 1.00 0.33 H new ATOM 0 HG23 ILE A 68 10.386 0.204 10.307 1.00 0.33 H new ATOM 0 HD11 ILE A 68 9.842 -3.049 7.564 1.00 0.35 H new ATOM 0 HD12 ILE A 68 8.579 -1.871 7.136 1.00 0.35 H new ATOM 0 HD13 ILE A 68 10.223 -1.311 7.525 1.00 0.35 H new ATOM 1103 N TYR A 69 6.102 1.174 10.759 1.00 0.26 N ATOM 1104 CA TYR A 69 5.506 2.510 11.031 1.00 0.26 C ATOM 1105 C TYR A 69 5.390 2.692 12.547 1.00 0.28 C ATOM 1106 O TYR A 69 5.863 3.661 13.108 1.00 0.34 O ATOM 1107 CB TYR A 69 4.117 2.582 10.383 1.00 0.29 C ATOM 1108 CG TYR A 69 3.352 3.786 10.898 1.00 0.27 C ATOM 1109 CD1 TYR A 69 3.894 5.071 10.768 1.00 1.22 C ATOM 1110 CD2 TYR A 69 2.095 3.619 11.500 1.00 1.25 C ATOM 1111 CE1 TYR A 69 3.185 6.182 11.234 1.00 1.23 C ATOM 1112 CE2 TYR A 69 1.387 4.733 11.966 1.00 1.28 C ATOM 1113 CZ TYR A 69 1.932 6.014 11.832 1.00 0.38 C ATOM 1114 OH TYR A 69 1.235 7.113 12.293 1.00 0.47 O ATOM 0 H TYR A 69 5.506 0.535 10.233 1.00 0.26 H new ATOM 0 HA TYR A 69 6.132 3.300 10.616 1.00 0.26 H new ATOM 0 HB2 TYR A 69 4.218 2.644 9.299 1.00 0.29 H new ATOM 0 HB3 TYR A 69 3.560 1.670 10.600 1.00 0.29 H new ATOM 0 HD1 TYR A 69 4.862 5.204 10.307 1.00 1.22 H new ATOM 0 HD2 TYR A 69 1.674 2.630 11.604 1.00 1.25 H new ATOM 0 HE1 TYR A 69 3.605 7.172 11.132 1.00 1.23 H new ATOM 0 HE2 TYR A 69 0.420 4.603 12.429 1.00 1.28 H new ATOM 0 HH TYR A 69 0.383 6.821 12.679 1.00 0.47 H new ATOM 1124 N LYS A 70 4.758 1.764 13.208 1.00 0.31 N ATOM 1125 CA LYS A 70 4.597 1.865 14.685 1.00 0.38 C ATOM 1126 C LYS A 70 5.919 1.542 15.388 1.00 0.38 C ATOM 1127 O LYS A 70 6.159 1.984 16.494 1.00 0.45 O ATOM 1128 CB LYS A 70 3.537 0.861 15.145 1.00 0.50 C ATOM 1129 CG LYS A 70 2.139 1.378 14.787 1.00 0.79 C ATOM 1130 CD LYS A 70 1.081 0.281 15.069 1.00 0.88 C ATOM 1131 CE LYS A 70 0.657 -0.401 13.764 1.00 1.50 C ATOM 1132 NZ LYS A 70 -0.338 -1.467 14.067 1.00 2.26 N ATOM 0 H LYS A 70 4.343 0.934 12.785 1.00 0.31 H new ATOM 0 HA LYS A 70 4.294 2.881 14.938 1.00 0.38 H new ATOM 0 HB2 LYS A 70 3.709 -0.106 14.671 1.00 0.50 H new ATOM 0 HB3 LYS A 70 3.613 0.707 16.221 1.00 0.50 H new ATOM 0 HG2 LYS A 70 1.913 2.272 15.369 1.00 0.79 H new ATOM 0 HG3 LYS A 70 2.106 1.665 13.736 1.00 0.79 H new ATOM 0 HD2 LYS A 70 1.490 -0.459 15.757 1.00 0.88 H new ATOM 0 HD3 LYS A 70 0.211 0.722 15.555 1.00 0.88 H new ATOM 0 HE2 LYS A 70 0.226 0.331 13.081 1.00 1.50 H new ATOM 0 HE3 LYS A 70 1.526 -0.830 13.265 1.00 1.50 H new ATOM 0 HZ1 LYS A 70 -0.628 -1.932 13.183 1.00 2.26 H new ATOM 0 HZ2 LYS A 70 0.089 -2.169 14.704 1.00 2.26 H new ATOM 0 HZ3 LYS A 70 -1.171 -1.045 14.525 1.00 2.26 H new ATOM 1146 N GLU A 71 6.773 0.766 14.767 1.00 0.40 N ATOM 1147 CA GLU A 71 8.073 0.400 15.416 1.00 0.52 C ATOM 1148 C GLU A 71 9.212 1.254 14.848 1.00 0.55 C ATOM 1149 O GLU A 71 10.274 0.749 14.550 1.00 1.13 O ATOM 1150 CB GLU A 71 8.364 -1.084 15.139 1.00 0.63 C ATOM 1151 CG GLU A 71 9.370 -1.613 16.169 1.00 0.99 C ATOM 1152 CD GLU A 71 9.787 -3.035 15.794 1.00 1.55 C ATOM 1153 OE1 GLU A 71 10.301 -3.213 14.702 1.00 2.13 O ATOM 1154 OE2 GLU A 71 9.587 -3.923 16.607 1.00 2.27 O ATOM 0 H GLU A 71 6.627 0.370 13.839 1.00 0.40 H new ATOM 0 HA GLU A 71 8.002 0.579 16.489 1.00 0.52 H new ATOM 0 HB2 GLU A 71 7.441 -1.661 15.188 1.00 0.63 H new ATOM 0 HB3 GLU A 71 8.762 -1.205 14.132 1.00 0.63 H new ATOM 0 HG2 GLU A 71 10.245 -0.964 16.204 1.00 0.99 H new ATOM 0 HG3 GLU A 71 8.926 -1.604 17.164 1.00 0.99 H new ATOM 1161 N ALA A 72 9.008 2.544 14.738 1.00 0.59 N ATOM 1162 CA ALA A 72 10.095 3.450 14.223 1.00 0.57 C ATOM 1163 C ALA A 72 9.504 4.773 13.720 1.00 0.65 C ATOM 1164 O ALA A 72 8.972 4.842 12.630 1.00 1.23 O ATOM 1165 CB ALA A 72 10.849 2.775 13.059 1.00 0.60 C ATOM 0 H ALA A 72 8.136 3.014 14.982 1.00 0.59 H new ATOM 0 HA ALA A 72 10.782 3.646 15.046 1.00 0.57 H new ATOM 0 HB1 ALA A 72 11.632 3.442 12.697 1.00 0.60 H new ATOM 0 HB2 ALA A 72 11.297 1.844 13.407 1.00 0.60 H new ATOM 0 HB3 ALA A 72 10.152 2.561 12.249 1.00 0.60 H new ATOM 1171 N GLU A 73 9.597 5.826 14.490 1.00 0.71 N ATOM 1172 CA GLU A 73 9.044 7.122 14.017 1.00 0.77 C ATOM 1173 C GLU A 73 9.974 7.679 12.933 1.00 0.65 C ATOM 1174 O GLU A 73 10.822 6.975 12.426 1.00 1.06 O ATOM 1175 CB GLU A 73 8.962 8.107 15.185 1.00 1.08 C ATOM 1176 CG GLU A 73 8.020 7.552 16.256 1.00 1.79 C ATOM 1177 CD GLU A 73 6.577 7.613 15.750 1.00 2.15 C ATOM 1178 OE1 GLU A 73 6.000 8.687 15.791 1.00 2.62 O ATOM 1179 OE2 GLU A 73 6.074 6.584 15.330 1.00 2.60 O ATOM 0 H GLU A 73 10.027 5.842 15.415 1.00 0.71 H new ATOM 0 HA GLU A 73 8.043 6.976 13.612 1.00 0.77 H new ATOM 0 HB2 GLU A 73 9.954 8.270 15.607 1.00 1.08 H new ATOM 0 HB3 GLU A 73 8.602 9.074 14.834 1.00 1.08 H new ATOM 0 HG2 GLU A 73 8.290 6.523 16.494 1.00 1.79 H new ATOM 0 HG3 GLU A 73 8.118 8.129 17.176 1.00 1.79 H new ATOM 1186 N SER A 74 9.827 8.932 12.583 1.00 0.75 N ATOM 1187 CA SER A 74 10.704 9.538 11.533 1.00 0.62 C ATOM 1188 C SER A 74 10.502 8.812 10.199 1.00 0.55 C ATOM 1189 O SER A 74 10.043 9.387 9.232 1.00 0.63 O ATOM 1190 CB SER A 74 12.172 9.436 11.960 1.00 0.82 C ATOM 1191 OG SER A 74 12.946 10.353 11.197 1.00 1.55 O ATOM 0 H SER A 74 9.134 9.565 12.981 1.00 0.75 H new ATOM 0 HA SER A 74 10.437 10.588 11.411 1.00 0.62 H new ATOM 0 HB2 SER A 74 12.270 9.656 13.023 1.00 0.82 H new ATOM 0 HB3 SER A 74 12.537 8.420 11.809 1.00 0.82 H new ATOM 0 HG SER A 74 13.886 10.293 11.468 1.00 1.55 H new ATOM 1197 N ARG A 75 10.839 7.553 10.138 1.00 0.48 N ATOM 1198 CA ARG A 75 10.666 6.792 8.870 1.00 0.45 C ATOM 1199 C ARG A 75 9.175 6.718 8.522 1.00 0.42 C ATOM 1200 O ARG A 75 8.781 6.069 7.573 1.00 0.50 O ATOM 1201 CB ARG A 75 11.237 5.375 9.051 1.00 0.52 C ATOM 1202 CG ARG A 75 11.602 4.766 7.683 1.00 0.81 C ATOM 1203 CD ARG A 75 12.942 5.329 7.166 1.00 1.10 C ATOM 1204 NE ARG A 75 12.695 6.581 6.396 1.00 1.49 N ATOM 1205 CZ ARG A 75 13.683 7.390 6.130 1.00 2.08 C ATOM 1206 NH1 ARG A 75 14.890 7.103 6.536 1.00 2.63 N ATOM 1207 NH2 ARG A 75 13.465 8.488 5.458 1.00 2.72 N ATOM 0 H ARG A 75 11.228 7.018 10.914 1.00 0.48 H new ATOM 0 HA ARG A 75 11.196 7.292 8.060 1.00 0.45 H new ATOM 0 HB2 ARG A 75 12.121 5.410 9.688 1.00 0.52 H new ATOM 0 HB3 ARG A 75 10.506 4.743 9.555 1.00 0.52 H new ATOM 0 HG2 ARG A 75 11.669 3.682 7.770 1.00 0.81 H new ATOM 0 HG3 ARG A 75 10.812 4.980 6.963 1.00 0.81 H new ATOM 0 HD2 ARG A 75 13.610 5.531 8.003 1.00 1.10 H new ATOM 0 HD3 ARG A 75 13.437 4.593 6.533 1.00 1.10 H new ATOM 0 HE ARG A 75 11.753 6.805 6.077 1.00 1.49 H new ATOM 0 HH11 ARG A 75 15.061 6.246 7.062 1.00 2.63 H new ATOM 0 HH12 ARG A 75 15.662 7.736 6.328 1.00 2.63 H new ATOM 0 HH21 ARG A 75 12.522 8.713 5.141 1.00 2.72 H new ATOM 0 HH22 ARG A 75 14.238 9.121 5.250 1.00 2.72 H new ATOM 1221 N ARG A 76 8.344 7.374 9.287 1.00 0.41 N ATOM 1222 CA ARG A 76 6.883 7.338 9.004 1.00 0.47 C ATOM 1223 C ARG A 76 6.591 8.079 7.695 1.00 0.43 C ATOM 1224 O ARG A 76 5.696 7.720 6.956 1.00 0.45 O ATOM 1225 CB ARG A 76 6.119 8.008 10.153 1.00 0.57 C ATOM 1226 CG ARG A 76 6.880 9.249 10.630 1.00 1.08 C ATOM 1227 CD ARG A 76 5.958 10.110 11.499 1.00 1.14 C ATOM 1228 NE ARG A 76 6.710 11.292 12.008 1.00 1.76 N ATOM 1229 CZ ARG A 76 6.064 12.307 12.516 1.00 2.01 C ATOM 1230 NH1 ARG A 76 4.760 12.289 12.572 1.00 1.55 N ATOM 1231 NH2 ARG A 76 6.721 13.341 12.966 1.00 3.05 N ATOM 0 H ARG A 76 8.616 7.933 10.096 1.00 0.41 H new ATOM 0 HA ARG A 76 6.561 6.301 8.911 1.00 0.47 H new ATOM 0 HB2 ARG A 76 5.119 8.289 9.822 1.00 0.57 H new ATOM 0 HB3 ARG A 76 5.996 7.306 10.978 1.00 0.57 H new ATOM 0 HG2 ARG A 76 7.761 8.952 11.199 1.00 1.08 H new ATOM 0 HG3 ARG A 76 7.232 9.824 9.774 1.00 1.08 H new ATOM 0 HD2 ARG A 76 5.096 10.438 10.918 1.00 1.14 H new ATOM 0 HD3 ARG A 76 5.576 9.523 12.334 1.00 1.14 H new ATOM 0 HE ARG A 76 7.729 11.308 11.960 1.00 1.76 H new ATOM 0 HH11 ARG A 76 4.245 11.482 12.219 1.00 1.55 H new ATOM 0 HH12 ARG A 76 4.256 13.082 12.969 1.00 1.55 H new ATOM 0 HH21 ARG A 76 7.740 13.357 12.921 1.00 3.05 H new ATOM 0 HH22 ARG A 76 6.216 14.133 13.363 1.00 3.05 H new ATOM 1245 N ARG A 77 7.323 9.120 7.409 1.00 0.40 N ATOM 1246 CA ARG A 77 7.064 9.888 6.158 1.00 0.43 C ATOM 1247 C ARG A 77 7.041 8.931 4.966 1.00 0.39 C ATOM 1248 O ARG A 77 6.133 8.953 4.157 1.00 0.39 O ATOM 1249 CB ARG A 77 8.172 10.927 5.962 1.00 0.48 C ATOM 1250 CG ARG A 77 7.809 11.856 4.801 1.00 1.10 C ATOM 1251 CD ARG A 77 8.773 13.044 4.777 1.00 1.24 C ATOM 1252 NE ARG A 77 8.556 13.882 5.991 1.00 1.80 N ATOM 1253 CZ ARG A 77 9.442 14.776 6.335 1.00 2.30 C ATOM 1254 NH1 ARG A 77 10.518 14.941 5.614 1.00 2.43 N ATOM 1255 NH2 ARG A 77 9.252 15.507 7.400 1.00 3.22 N ATOM 0 H ARG A 77 8.087 9.472 7.985 1.00 0.40 H new ATOM 0 HA ARG A 77 6.101 10.393 6.233 1.00 0.43 H new ATOM 0 HB2 ARG A 77 8.306 11.506 6.876 1.00 0.48 H new ATOM 0 HB3 ARG A 77 9.120 10.428 5.759 1.00 0.48 H new ATOM 0 HG2 ARG A 77 7.861 11.313 3.857 1.00 1.10 H new ATOM 0 HG3 ARG A 77 6.783 12.208 4.910 1.00 1.10 H new ATOM 0 HD2 ARG A 77 9.803 12.690 4.745 1.00 1.24 H new ATOM 0 HD3 ARG A 77 8.613 13.639 3.878 1.00 1.24 H new ATOM 0 HE ARG A 77 7.714 13.756 6.553 1.00 1.80 H new ATOM 0 HH11 ARG A 77 10.666 14.371 4.781 1.00 2.43 H new ATOM 0 HH12 ARG A 77 11.210 15.640 5.883 1.00 2.43 H new ATOM 0 HH21 ARG A 77 8.411 15.379 7.963 1.00 3.22 H new ATOM 0 HH22 ARG A 77 9.945 16.206 7.669 1.00 3.22 H new ATOM 1269 N GLU A 78 8.035 8.098 4.839 1.00 0.36 N ATOM 1270 CA GLU A 78 8.068 7.153 3.689 1.00 0.36 C ATOM 1271 C GLU A 78 6.970 6.096 3.838 1.00 0.30 C ATOM 1272 O GLU A 78 6.333 5.718 2.876 1.00 0.32 O ATOM 1273 CB GLU A 78 9.429 6.455 3.646 1.00 0.40 C ATOM 1274 CG GLU A 78 10.549 7.495 3.714 1.00 0.91 C ATOM 1275 CD GLU A 78 10.457 8.430 2.506 1.00 1.56 C ATOM 1276 OE1 GLU A 78 10.414 7.927 1.395 1.00 2.33 O ATOM 1277 OE2 GLU A 78 10.434 9.632 2.712 1.00 2.13 O ATOM 0 H GLU A 78 8.825 8.031 5.481 1.00 0.36 H new ATOM 0 HA GLU A 78 7.904 7.713 2.768 1.00 0.36 H new ATOM 0 HB2 GLU A 78 9.517 5.758 4.480 1.00 0.40 H new ATOM 0 HB3 GLU A 78 9.519 5.870 2.731 1.00 0.40 H new ATOM 0 HG2 GLU A 78 10.470 8.069 4.637 1.00 0.91 H new ATOM 0 HG3 GLU A 78 11.519 6.999 3.729 1.00 0.91 H new ATOM 1284 N CYS A 79 6.735 5.614 5.028 1.00 0.27 N ATOM 1285 CA CYS A 79 5.679 4.576 5.209 1.00 0.25 C ATOM 1286 C CYS A 79 4.308 5.154 4.846 1.00 0.23 C ATOM 1287 O CYS A 79 3.511 4.518 4.186 1.00 0.24 O ATOM 1288 CB CYS A 79 5.685 4.088 6.674 1.00 0.29 C ATOM 1289 SG CYS A 79 4.522 5.054 7.679 1.00 1.19 S ATOM 0 H CYS A 79 7.225 5.892 5.878 1.00 0.27 H new ATOM 0 HA CYS A 79 5.884 3.732 4.551 1.00 0.25 H new ATOM 0 HB2 CYS A 79 5.416 3.032 6.712 1.00 0.29 H new ATOM 0 HB3 CYS A 79 6.690 4.176 7.087 1.00 0.29 H new ATOM 0 HG CYS A 79 4.657 4.730 8.931 1.00 1.19 H new ATOM 1295 N LEU A 80 4.022 6.348 5.288 1.00 0.23 N ATOM 1296 CA LEU A 80 2.698 6.950 4.980 1.00 0.23 C ATOM 1297 C LEU A 80 2.473 6.924 3.465 1.00 0.21 C ATOM 1298 O LEU A 80 1.398 6.610 2.994 1.00 0.21 O ATOM 1299 CB LEU A 80 2.661 8.397 5.490 1.00 0.26 C ATOM 1300 CG LEU A 80 2.653 8.413 7.030 1.00 0.27 C ATOM 1301 CD1 LEU A 80 3.008 9.817 7.528 1.00 0.34 C ATOM 1302 CD2 LEU A 80 1.266 8.027 7.568 1.00 0.42 C ATOM 0 H LEU A 80 4.647 6.929 5.847 1.00 0.23 H new ATOM 0 HA LEU A 80 1.910 6.380 5.472 1.00 0.23 H new ATOM 0 HB2 LEU A 80 3.526 8.945 5.117 1.00 0.26 H new ATOM 0 HB3 LEU A 80 1.774 8.903 5.108 1.00 0.26 H new ATOM 0 HG LEU A 80 3.387 7.691 7.388 1.00 0.27 H new ATOM 0 HD11 LEU A 80 3.002 9.829 8.618 1.00 0.34 H new ATOM 0 HD12 LEU A 80 3.999 10.091 7.167 1.00 0.34 H new ATOM 0 HD13 LEU A 80 2.275 10.532 7.154 1.00 0.34 H new ATOM 0 HD21 LEU A 80 1.281 8.044 8.658 1.00 0.42 H new ATOM 0 HD22 LEU A 80 0.524 8.738 7.204 1.00 0.42 H new ATOM 0 HD23 LEU A 80 1.008 7.025 7.224 1.00 0.42 H new ATOM 1314 N TYR A 81 3.475 7.260 2.698 1.00 0.22 N ATOM 1315 CA TYR A 81 3.312 7.261 1.214 1.00 0.23 C ATOM 1316 C TYR A 81 3.200 5.822 0.689 1.00 0.22 C ATOM 1317 O TYR A 81 2.311 5.501 -0.074 1.00 0.22 O ATOM 1318 CB TYR A 81 4.524 7.943 0.575 1.00 0.26 C ATOM 1319 CG TYR A 81 4.335 8.015 -0.923 1.00 0.30 C ATOM 1320 CD1 TYR A 81 3.558 9.036 -1.483 1.00 1.05 C ATOM 1321 CD2 TYR A 81 4.939 7.061 -1.753 1.00 1.26 C ATOM 1322 CE1 TYR A 81 3.384 9.104 -2.872 1.00 1.04 C ATOM 1323 CE2 TYR A 81 4.764 7.129 -3.141 1.00 1.31 C ATOM 1324 CZ TYR A 81 3.987 8.150 -3.700 1.00 0.46 C ATOM 1325 OH TYR A 81 3.815 8.216 -5.067 1.00 0.55 O ATOM 0 H TYR A 81 4.399 7.534 3.033 1.00 0.22 H new ATOM 0 HA TYR A 81 2.402 7.802 0.956 1.00 0.23 H new ATOM 0 HB2 TYR A 81 4.648 8.946 0.985 1.00 0.26 H new ATOM 0 HB3 TYR A 81 5.432 7.388 0.811 1.00 0.26 H new ATOM 0 HD1 TYR A 81 3.092 9.772 -0.844 1.00 1.05 H new ATOM 0 HD2 TYR A 81 5.539 6.273 -1.322 1.00 1.26 H new ATOM 0 HE1 TYR A 81 2.785 9.892 -3.303 1.00 1.04 H new ATOM 0 HE2 TYR A 81 5.229 6.393 -3.780 1.00 1.31 H new ATOM 0 HH TYR A 81 4.301 7.480 -5.494 1.00 0.55 H new ATOM 1335 N TYR A 82 4.096 4.957 1.083 1.00 0.23 N ATOM 1336 CA TYR A 82 4.037 3.544 0.591 1.00 0.23 C ATOM 1337 C TYR A 82 2.788 2.834 1.140 1.00 0.22 C ATOM 1338 O TYR A 82 2.229 1.973 0.490 1.00 0.24 O ATOM 1339 CB TYR A 82 5.297 2.786 1.041 1.00 0.25 C ATOM 1340 CG TYR A 82 6.466 3.130 0.137 1.00 0.25 C ATOM 1341 CD1 TYR A 82 6.462 2.712 -1.200 1.00 1.30 C ATOM 1342 CD2 TYR A 82 7.555 3.859 0.635 1.00 1.13 C ATOM 1343 CE1 TYR A 82 7.543 3.022 -2.035 1.00 1.33 C ATOM 1344 CE2 TYR A 82 8.635 4.170 -0.200 1.00 1.12 C ATOM 1345 CZ TYR A 82 8.629 3.751 -1.535 1.00 0.31 C ATOM 1346 OH TYR A 82 9.694 4.056 -2.359 1.00 0.36 O ATOM 0 H TYR A 82 4.864 5.163 1.721 1.00 0.23 H new ATOM 0 HA TYR A 82 3.985 3.556 -0.498 1.00 0.23 H new ATOM 0 HB2 TYR A 82 5.537 3.045 2.072 1.00 0.25 H new ATOM 0 HB3 TYR A 82 5.112 1.712 1.016 1.00 0.25 H new ATOM 0 HD1 TYR A 82 5.625 2.150 -1.587 1.00 1.30 H new ATOM 0 HD2 TYR A 82 7.561 4.182 1.666 1.00 1.13 H new ATOM 0 HE1 TYR A 82 7.539 2.698 -3.065 1.00 1.33 H new ATOM 0 HE2 TYR A 82 9.472 4.733 0.186 1.00 1.12 H new ATOM 0 HH TYR A 82 10.362 4.567 -1.855 1.00 0.36 H new ATOM 1356 N LEU A 83 2.329 3.185 2.314 1.00 0.21 N ATOM 1357 CA LEU A 83 1.112 2.517 2.855 1.00 0.20 C ATOM 1358 C LEU A 83 -0.086 2.918 2.006 1.00 0.20 C ATOM 1359 O LEU A 83 -1.013 2.155 1.831 1.00 0.25 O ATOM 1360 CB LEU A 83 0.882 2.951 4.308 1.00 0.20 C ATOM 1361 CG LEU A 83 1.887 2.245 5.238 1.00 0.22 C ATOM 1362 CD1 LEU A 83 2.000 3.023 6.552 1.00 0.24 C ATOM 1363 CD2 LEU A 83 1.421 0.812 5.547 1.00 0.25 C ATOM 0 H LEU A 83 2.741 3.899 2.915 1.00 0.21 H new ATOM 0 HA LEU A 83 1.243 1.435 2.826 1.00 0.20 H new ATOM 0 HB2 LEU A 83 0.992 4.032 4.394 1.00 0.20 H new ATOM 0 HB3 LEU A 83 -0.137 2.709 4.611 1.00 0.20 H new ATOM 0 HG LEU A 83 2.855 2.207 4.738 1.00 0.22 H new ATOM 0 HD11 LEU A 83 2.711 2.524 7.210 1.00 0.24 H new ATOM 0 HD12 LEU A 83 2.345 4.036 6.346 1.00 0.24 H new ATOM 0 HD13 LEU A 83 1.024 3.064 7.036 1.00 0.24 H new ATOM 0 HD21 LEU A 83 2.143 0.329 6.205 1.00 0.25 H new ATOM 0 HD22 LEU A 83 0.448 0.844 6.037 1.00 0.25 H new ATOM 0 HD23 LEU A 83 1.342 0.247 4.618 1.00 0.25 H new ATOM 1375 N THR A 84 -0.074 4.100 1.457 1.00 0.19 N ATOM 1376 CA THR A 84 -1.209 4.534 0.602 1.00 0.19 C ATOM 1377 C THR A 84 -1.247 3.658 -0.651 1.00 0.22 C ATOM 1378 O THR A 84 -2.295 3.242 -1.102 1.00 0.24 O ATOM 1379 CB THR A 84 -0.976 5.996 0.203 1.00 0.20 C ATOM 1380 OG1 THR A 84 -0.711 6.764 1.368 1.00 0.22 O ATOM 1381 CG2 THR A 84 -2.210 6.555 -0.505 1.00 0.18 C ATOM 0 H THR A 84 0.675 4.784 1.565 1.00 0.19 H new ATOM 0 HA THR A 84 -2.154 4.440 1.137 1.00 0.19 H new ATOM 0 HB THR A 84 -0.125 6.048 -0.477 1.00 0.20 H new ATOM 0 HG1 THR A 84 0.226 6.646 1.631 1.00 0.22 H new ATOM 0 HG21 THR A 84 -2.031 7.594 -0.783 1.00 0.18 H new ATOM 0 HG22 THR A 84 -2.412 5.969 -1.402 1.00 0.18 H new ATOM 0 HG23 THR A 84 -3.069 6.501 0.164 1.00 0.18 H new ATOM 1389 N ILE A 85 -0.103 3.388 -1.220 1.00 0.23 N ATOM 1390 CA ILE A 85 -0.056 2.549 -2.450 1.00 0.27 C ATOM 1391 C ILE A 85 -0.349 1.087 -2.101 1.00 0.29 C ATOM 1392 O ILE A 85 -1.210 0.455 -2.686 1.00 0.31 O ATOM 1393 CB ILE A 85 1.336 2.652 -3.081 1.00 0.29 C ATOM 1394 CG1 ILE A 85 1.580 4.105 -3.519 1.00 0.31 C ATOM 1395 CG2 ILE A 85 1.416 1.700 -4.286 1.00 0.32 C ATOM 1396 CD1 ILE A 85 2.980 4.249 -4.123 1.00 0.61 C ATOM 0 H ILE A 85 0.803 3.714 -0.884 1.00 0.23 H new ATOM 0 HA ILE A 85 -0.808 2.905 -3.154 1.00 0.27 H new ATOM 0 HB ILE A 85 2.102 2.368 -2.360 1.00 0.29 H new ATOM 0 HG12 ILE A 85 0.828 4.403 -4.250 1.00 0.31 H new ATOM 0 HG13 ILE A 85 1.475 4.773 -2.664 1.00 0.31 H new ATOM 0 HG21 ILE A 85 2.405 1.769 -4.739 1.00 0.32 H new ATOM 0 HG22 ILE A 85 1.240 0.677 -3.954 1.00 0.32 H new ATOM 0 HG23 ILE A 85 0.660 1.978 -5.020 1.00 0.32 H new ATOM 0 HD11 ILE A 85 3.140 5.283 -4.429 1.00 0.61 H new ATOM 0 HD12 ILE A 85 3.727 3.971 -3.380 1.00 0.61 H new ATOM 0 HD13 ILE A 85 3.071 3.596 -4.991 1.00 0.61 H new ATOM 1408 N GLY A 86 0.358 0.548 -1.149 1.00 0.30 N ATOM 1409 CA GLY A 86 0.123 -0.869 -0.760 1.00 0.33 C ATOM 1410 C GLY A 86 -1.327 -1.037 -0.307 1.00 0.33 C ATOM 1411 O GLY A 86 -1.914 -2.091 -0.451 1.00 0.39 O ATOM 0 H GLY A 86 1.089 1.028 -0.623 1.00 0.30 H new ATOM 0 HA2 GLY A 86 0.331 -1.528 -1.603 1.00 0.33 H new ATOM 0 HA3 GLY A 86 0.802 -1.155 0.043 1.00 0.33 H new ATOM 1415 N CYS A 87 -1.909 -0.006 0.244 1.00 0.29 N ATOM 1416 CA CYS A 87 -3.318 -0.108 0.711 1.00 0.30 C ATOM 1417 C CYS A 87 -4.276 -0.004 -0.481 1.00 0.35 C ATOM 1418 O CYS A 87 -5.314 -0.636 -0.510 1.00 0.42 O ATOM 1419 CB CYS A 87 -3.605 1.029 1.693 1.00 0.29 C ATOM 1420 SG CYS A 87 -5.383 1.115 2.023 1.00 1.29 S ATOM 0 H CYS A 87 -1.468 0.902 0.390 1.00 0.29 H new ATOM 0 HA CYS A 87 -3.465 -1.070 1.202 1.00 0.30 H new ATOM 0 HB2 CYS A 87 -3.060 0.866 2.623 1.00 0.29 H new ATOM 0 HB3 CYS A 87 -3.256 1.976 1.281 1.00 0.29 H new ATOM 0 HG CYS A 87 -6.014 0.321 1.210 1.00 1.29 H new ATOM 1426 N TYR A 88 -3.945 0.800 -1.457 1.00 0.33 N ATOM 1427 CA TYR A 88 -4.848 0.956 -2.635 1.00 0.40 C ATOM 1428 C TYR A 88 -5.048 -0.394 -3.327 1.00 0.43 C ATOM 1429 O TYR A 88 -6.065 -0.638 -3.946 1.00 0.52 O ATOM 1430 CB TYR A 88 -4.233 1.947 -3.624 1.00 0.46 C ATOM 1431 CG TYR A 88 -5.223 2.225 -4.731 1.00 0.48 C ATOM 1432 CD1 TYR A 88 -6.229 3.182 -4.546 1.00 1.24 C ATOM 1433 CD2 TYR A 88 -5.140 1.523 -5.940 1.00 1.37 C ATOM 1434 CE1 TYR A 88 -7.149 3.437 -5.569 1.00 1.28 C ATOM 1435 CE2 TYR A 88 -6.062 1.778 -6.963 1.00 1.37 C ATOM 1436 CZ TYR A 88 -7.066 2.735 -6.777 1.00 0.59 C ATOM 1437 OH TYR A 88 -7.975 2.986 -7.785 1.00 0.66 O ATOM 0 H TYR A 88 -3.090 1.355 -1.489 1.00 0.33 H new ATOM 0 HA TYR A 88 -5.814 1.329 -2.294 1.00 0.40 H new ATOM 0 HB2 TYR A 88 -3.971 2.874 -3.113 1.00 0.46 H new ATOM 0 HB3 TYR A 88 -3.311 1.540 -4.039 1.00 0.46 H new ATOM 0 HD1 TYR A 88 -6.295 3.723 -3.614 1.00 1.24 H new ATOM 0 HD2 TYR A 88 -4.365 0.785 -6.084 1.00 1.37 H new ATOM 0 HE1 TYR A 88 -7.924 4.176 -5.426 1.00 1.28 H new ATOM 0 HE2 TYR A 88 -5.998 1.236 -7.895 1.00 1.37 H new ATOM 0 HH TYR A 88 -7.775 2.414 -8.555 1.00 0.66 H new ATOM 1447 N LYS A 89 -4.091 -1.275 -3.229 1.00 0.43 N ATOM 1448 CA LYS A 89 -4.243 -2.606 -3.887 1.00 0.51 C ATOM 1449 C LYS A 89 -5.200 -3.474 -3.063 1.00 0.36 C ATOM 1450 O LYS A 89 -5.813 -4.390 -3.575 1.00 0.37 O ATOM 1451 CB LYS A 89 -2.869 -3.285 -4.007 1.00 0.70 C ATOM 1452 CG LYS A 89 -2.178 -2.817 -5.293 1.00 1.00 C ATOM 1453 CD LYS A 89 -0.756 -3.371 -5.346 1.00 1.24 C ATOM 1454 CE LYS A 89 -0.159 -3.104 -6.729 1.00 1.56 C ATOM 1455 NZ LYS A 89 -0.899 -3.897 -7.752 1.00 2.05 N ATOM 0 H LYS A 89 -3.215 -1.134 -2.726 1.00 0.43 H new ATOM 0 HA LYS A 89 -4.655 -2.477 -4.888 1.00 0.51 H new ATOM 0 HB2 LYS A 89 -2.254 -3.040 -3.141 1.00 0.70 H new ATOM 0 HB3 LYS A 89 -2.987 -4.369 -4.018 1.00 0.70 H new ATOM 0 HG2 LYS A 89 -2.742 -3.153 -6.163 1.00 1.00 H new ATOM 0 HG3 LYS A 89 -2.156 -1.728 -5.329 1.00 1.00 H new ATOM 0 HD2 LYS A 89 -0.142 -2.903 -4.576 1.00 1.24 H new ATOM 0 HD3 LYS A 89 -0.763 -4.442 -5.141 1.00 1.24 H new ATOM 0 HE2 LYS A 89 -0.219 -2.041 -6.964 1.00 1.56 H new ATOM 0 HE3 LYS A 89 0.897 -3.373 -6.739 1.00 1.56 H new ATOM 0 HZ1 LYS A 89 -0.230 -4.495 -8.278 1.00 2.05 H new ATOM 0 HZ2 LYS A 89 -1.605 -4.499 -7.281 1.00 2.05 H new ATOM 0 HZ3 LYS A 89 -1.379 -3.251 -8.411 1.00 2.05 H new ATOM 1469 N LEU A 90 -5.353 -3.180 -1.798 1.00 0.32 N ATOM 1470 CA LEU A 90 -6.294 -3.972 -0.946 1.00 0.47 C ATOM 1471 C LEU A 90 -7.608 -3.205 -0.833 1.00 0.56 C ATOM 1472 O LEU A 90 -8.421 -3.475 0.027 1.00 0.89 O ATOM 1473 CB LEU A 90 -5.709 -4.142 0.462 1.00 0.55 C ATOM 1474 CG LEU A 90 -4.281 -4.689 0.386 1.00 0.57 C ATOM 1475 CD1 LEU A 90 -3.718 -4.822 1.805 1.00 0.71 C ATOM 1476 CD2 LEU A 90 -4.288 -6.064 -0.295 1.00 0.56 C ATOM 0 H LEU A 90 -4.866 -2.424 -1.316 1.00 0.32 H new ATOM 0 HA LEU A 90 -6.453 -4.952 -1.395 1.00 0.47 H new ATOM 0 HB2 LEU A 90 -5.711 -3.184 0.981 1.00 0.55 H new ATOM 0 HB3 LEU A 90 -6.334 -4.820 1.043 1.00 0.55 H new ATOM 0 HG LEU A 90 -3.660 -4.007 -0.194 1.00 0.57 H new ATOM 0 HD11 LEU A 90 -2.701 -5.211 1.758 1.00 0.71 H new ATOM 0 HD12 LEU A 90 -3.710 -3.844 2.287 1.00 0.71 H new ATOM 0 HD13 LEU A 90 -4.342 -5.505 2.381 1.00 0.71 H new ATOM 0 HD21 LEU A 90 -3.270 -6.449 -0.347 1.00 0.56 H new ATOM 0 HD22 LEU A 90 -4.907 -6.752 0.280 1.00 0.56 H new ATOM 0 HD23 LEU A 90 -4.692 -5.969 -1.303 1.00 0.56 H new ATOM 1488 N GLY A 91 -7.811 -2.229 -1.678 1.00 0.56 N ATOM 1489 CA GLY A 91 -9.048 -1.399 -1.607 1.00 0.91 C ATOM 1490 C GLY A 91 -9.449 -1.106 -0.163 1.00 0.69 C ATOM 1491 O GLY A 91 -10.586 -0.776 0.112 1.00 0.69 O ATOM 0 H GLY A 91 -7.164 -1.969 -2.423 1.00 0.56 H new ATOM 0 HA2 GLY A 91 -8.888 -0.461 -2.138 1.00 0.91 H new ATOM 0 HA3 GLY A 91 -9.863 -1.916 -2.113 1.00 0.91 H new ATOM 1495 N GLU A 92 -8.523 -1.127 0.752 1.00 0.54 N ATOM 1496 CA GLU A 92 -8.868 -0.738 2.149 1.00 0.42 C ATOM 1497 C GLU A 92 -8.700 0.782 2.198 1.00 0.34 C ATOM 1498 O GLU A 92 -8.059 1.323 3.076 1.00 0.39 O ATOM 1499 CB GLU A 92 -7.893 -1.384 3.140 1.00 0.44 C ATOM 1500 CG GLU A 92 -8.191 -2.878 3.274 1.00 0.55 C ATOM 1501 CD GLU A 92 -7.208 -3.504 4.264 1.00 1.42 C ATOM 1502 OE1 GLU A 92 -7.475 -3.445 5.453 1.00 2.06 O ATOM 1503 OE2 GLU A 92 -6.202 -4.031 3.817 1.00 2.18 O ATOM 0 H GLU A 92 -7.551 -1.394 0.597 1.00 0.54 H new ATOM 0 HA GLU A 92 -9.875 -1.059 2.416 1.00 0.42 H new ATOM 0 HB2 GLU A 92 -6.868 -1.239 2.800 1.00 0.44 H new ATOM 0 HB3 GLU A 92 -7.978 -0.900 4.113 1.00 0.44 H new ATOM 0 HG2 GLU A 92 -9.215 -3.027 3.617 1.00 0.55 H new ATOM 0 HG3 GLU A 92 -8.107 -3.366 2.303 1.00 0.55 H new ATOM 1510 N TYR A 93 -9.208 1.460 1.196 1.00 0.33 N ATOM 1511 CA TYR A 93 -9.018 2.935 1.101 1.00 0.31 C ATOM 1512 C TYR A 93 -9.219 3.625 2.455 1.00 0.25 C ATOM 1513 O TYR A 93 -8.830 4.766 2.619 1.00 0.27 O ATOM 1514 CB TYR A 93 -9.966 3.556 0.065 1.00 0.41 C ATOM 1515 CG TYR A 93 -10.215 2.608 -1.086 1.00 0.53 C ATOM 1516 CD1 TYR A 93 -9.348 2.594 -2.185 1.00 1.28 C ATOM 1517 CD2 TYR A 93 -11.334 1.765 -1.066 1.00 1.42 C ATOM 1518 CE1 TYR A 93 -9.597 1.733 -3.262 1.00 1.35 C ATOM 1519 CE2 TYR A 93 -11.585 0.908 -2.144 1.00 1.57 C ATOM 1520 CZ TYR A 93 -10.717 0.891 -3.242 1.00 0.95 C ATOM 1521 OH TYR A 93 -10.965 0.046 -4.304 1.00 1.19 O ATOM 0 H TYR A 93 -9.750 1.048 0.436 1.00 0.33 H new ATOM 0 HA TYR A 93 -7.988 3.094 0.781 1.00 0.31 H new ATOM 0 HB2 TYR A 93 -10.913 3.811 0.541 1.00 0.41 H new ATOM 0 HB3 TYR A 93 -9.539 4.485 -0.312 1.00 0.41 H new ATOM 0 HD1 TYR A 93 -8.488 3.247 -2.203 1.00 1.28 H new ATOM 0 HD2 TYR A 93 -12.003 1.776 -0.218 1.00 1.42 H new ATOM 0 HE1 TYR A 93 -8.926 1.718 -4.108 1.00 1.35 H new ATOM 0 HE2 TYR A 93 -12.449 0.260 -2.129 1.00 1.57 H new ATOM 0 HH TYR A 93 -11.780 -0.469 -4.129 1.00 1.19 H new ATOM 1531 N SER A 94 -9.778 2.981 3.438 1.00 0.24 N ATOM 1532 CA SER A 94 -9.935 3.665 4.754 1.00 0.28 C ATOM 1533 C SER A 94 -8.549 3.927 5.343 1.00 0.29 C ATOM 1534 O SER A 94 -8.310 4.936 5.975 1.00 0.39 O ATOM 1535 CB SER A 94 -10.728 2.762 5.701 1.00 0.30 C ATOM 1536 OG SER A 94 -10.629 3.267 7.026 1.00 1.12 O ATOM 0 H SER A 94 -10.129 2.024 3.392 1.00 0.24 H new ATOM 0 HA SER A 94 -10.466 4.608 4.623 1.00 0.28 H new ATOM 0 HB2 SER A 94 -11.773 2.721 5.393 1.00 0.30 H new ATOM 0 HB3 SER A 94 -10.343 1.743 5.658 1.00 0.30 H new ATOM 0 HG SER A 94 -11.137 2.691 7.634 1.00 1.12 H new ATOM 1542 N MET A 95 -7.632 3.022 5.134 1.00 0.27 N ATOM 1543 CA MET A 95 -6.256 3.210 5.672 1.00 0.36 C ATOM 1544 C MET A 95 -5.512 4.227 4.807 1.00 0.26 C ATOM 1545 O MET A 95 -4.909 5.157 5.304 1.00 0.26 O ATOM 1546 CB MET A 95 -5.510 1.872 5.636 1.00 0.48 C ATOM 1547 CG MET A 95 -6.000 0.978 6.774 1.00 0.81 C ATOM 1548 SD MET A 95 -5.388 1.623 8.348 1.00 1.25 S ATOM 1549 CE MET A 95 -6.403 0.577 9.414 1.00 0.83 C ATOM 0 H MET A 95 -7.778 2.158 4.612 1.00 0.27 H new ATOM 0 HA MET A 95 -6.310 3.571 6.699 1.00 0.36 H new ATOM 0 HB2 MET A 95 -5.673 1.379 4.678 1.00 0.48 H new ATOM 0 HB3 MET A 95 -4.437 2.040 5.729 1.00 0.48 H new ATOM 0 HG2 MET A 95 -7.089 0.943 6.781 1.00 0.81 H new ATOM 0 HG3 MET A 95 -5.650 -0.043 6.626 1.00 0.81 H new ATOM 0 HE1 MET A 95 -6.189 0.806 10.458 1.00 0.83 H new ATOM 0 HE2 MET A 95 -7.457 0.764 9.210 1.00 0.83 H new ATOM 0 HE3 MET A 95 -6.176 -0.471 9.218 1.00 0.83 H new ATOM 1559 N ALA A 96 -5.553 4.059 3.515 1.00 0.23 N ATOM 1560 CA ALA A 96 -4.852 5.017 2.620 1.00 0.20 C ATOM 1561 C ALA A 96 -5.328 6.437 2.938 1.00 0.18 C ATOM 1562 O ALA A 96 -4.549 7.368 3.001 1.00 0.19 O ATOM 1563 CB ALA A 96 -5.178 4.680 1.163 1.00 0.23 C ATOM 0 H ALA A 96 -6.042 3.299 3.041 1.00 0.23 H new ATOM 0 HA ALA A 96 -3.775 4.949 2.774 1.00 0.20 H new ATOM 0 HB1 ALA A 96 -4.665 5.381 0.504 1.00 0.23 H new ATOM 0 HB2 ALA A 96 -4.847 3.665 0.941 1.00 0.23 H new ATOM 0 HB3 ALA A 96 -6.254 4.754 1.004 1.00 0.23 H new ATOM 1569 N LYS A 97 -6.610 6.610 3.116 1.00 0.19 N ATOM 1570 CA LYS A 97 -7.157 7.966 3.407 1.00 0.21 C ATOM 1571 C LYS A 97 -6.526 8.547 4.666 1.00 0.21 C ATOM 1572 O LYS A 97 -6.050 9.665 4.666 1.00 0.22 O ATOM 1573 CB LYS A 97 -8.673 7.876 3.603 1.00 0.29 C ATOM 1574 CG LYS A 97 -9.298 9.273 3.471 1.00 0.44 C ATOM 1575 CD LYS A 97 -10.685 9.288 4.126 1.00 0.78 C ATOM 1576 CE LYS A 97 -11.473 10.507 3.640 1.00 1.07 C ATOM 1577 NZ LYS A 97 -11.903 10.287 2.230 1.00 2.10 N ATOM 0 H LYS A 97 -7.306 5.865 3.072 1.00 0.19 H new ATOM 0 HA LYS A 97 -6.925 8.617 2.564 1.00 0.21 H new ATOM 0 HB2 LYS A 97 -9.105 7.203 2.863 1.00 0.29 H new ATOM 0 HB3 LYS A 97 -8.898 7.458 4.584 1.00 0.29 H new ATOM 0 HG2 LYS A 97 -8.655 10.015 3.944 1.00 0.44 H new ATOM 0 HG3 LYS A 97 -9.380 9.546 2.419 1.00 0.44 H new ATOM 0 HD2 LYS A 97 -11.224 8.373 3.880 1.00 0.78 H new ATOM 0 HD3 LYS A 97 -10.585 9.317 5.211 1.00 0.78 H new ATOM 0 HE2 LYS A 97 -12.343 10.669 4.276 1.00 1.07 H new ATOM 0 HE3 LYS A 97 -10.857 11.403 3.708 1.00 1.07 H new ATOM 0 HZ1 LYS A 97 -12.796 10.791 2.057 1.00 2.10 H new ATOM 0 HZ2 LYS A 97 -11.172 10.647 1.584 1.00 2.10 H new ATOM 0 HZ3 LYS A 97 -12.042 9.270 2.064 1.00 2.10 H new ATOM 1591 N ARG A 98 -6.538 7.838 5.755 1.00 0.22 N ATOM 1592 CA ARG A 98 -5.957 8.406 7.005 1.00 0.25 C ATOM 1593 C ARG A 98 -4.467 8.721 6.830 1.00 0.20 C ATOM 1594 O ARG A 98 -3.986 9.730 7.307 1.00 0.21 O ATOM 1595 CB ARG A 98 -6.138 7.388 8.141 1.00 0.33 C ATOM 1596 CG ARG A 98 -7.603 7.379 8.591 1.00 1.18 C ATOM 1597 CD ARG A 98 -7.793 6.382 9.746 1.00 1.28 C ATOM 1598 NE ARG A 98 -9.226 5.942 9.814 1.00 1.90 N ATOM 1599 CZ ARG A 98 -10.208 6.808 9.830 1.00 2.29 C ATOM 1600 NH1 ARG A 98 -9.966 8.082 9.965 1.00 2.29 N ATOM 1601 NH2 ARG A 98 -11.444 6.391 9.773 1.00 3.20 N ATOM 0 H ARG A 98 -6.921 6.896 5.838 1.00 0.22 H new ATOM 0 HA ARG A 98 -6.473 9.337 7.242 1.00 0.25 H new ATOM 0 HB2 ARG A 98 -5.844 6.394 7.803 1.00 0.33 H new ATOM 0 HB3 ARG A 98 -5.490 7.644 8.980 1.00 0.33 H new ATOM 0 HG2 ARG A 98 -7.900 8.378 8.910 1.00 1.18 H new ATOM 0 HG3 ARG A 98 -8.247 7.106 7.755 1.00 1.18 H new ATOM 0 HD2 ARG A 98 -7.145 5.517 9.601 1.00 1.28 H new ATOM 0 HD3 ARG A 98 -7.501 6.845 10.689 1.00 1.28 H new ATOM 0 HE ARG A 98 -9.440 4.945 9.849 1.00 1.90 H new ATOM 0 HH11 ARG A 98 -9.005 8.411 10.059 1.00 2.29 H new ATOM 0 HH12 ARG A 98 -10.737 8.749 9.976 1.00 2.29 H new ATOM 0 HH21 ARG A 98 -11.643 5.392 9.716 1.00 3.20 H new ATOM 0 HH22 ARG A 98 -12.210 7.064 9.785 1.00 3.20 H new ATOM 1615 N TYR A 99 -3.720 7.871 6.177 1.00 0.21 N ATOM 1616 CA TYR A 99 -2.261 8.149 6.019 1.00 0.22 C ATOM 1617 C TYR A 99 -2.030 9.259 4.984 1.00 0.19 C ATOM 1618 O TYR A 99 -1.289 10.191 5.228 1.00 0.21 O ATOM 1619 CB TYR A 99 -1.522 6.874 5.579 1.00 0.27 C ATOM 1620 CG TYR A 99 -1.652 5.775 6.628 1.00 0.29 C ATOM 1621 CD1 TYR A 99 -1.360 6.028 7.983 1.00 1.17 C ATOM 1622 CD2 TYR A 99 -2.053 4.486 6.239 1.00 1.32 C ATOM 1623 CE1 TYR A 99 -1.474 5.004 8.930 1.00 1.18 C ATOM 1624 CE2 TYR A 99 -2.163 3.465 7.193 1.00 1.34 C ATOM 1625 CZ TYR A 99 -1.876 3.725 8.536 1.00 0.40 C ATOM 1626 OH TYR A 99 -1.985 2.717 9.472 1.00 0.47 O ATOM 0 H TYR A 99 -4.051 7.006 5.750 1.00 0.21 H new ATOM 0 HA TYR A 99 -1.871 8.478 6.982 1.00 0.22 H new ATOM 0 HB2 TYR A 99 -1.927 6.524 4.629 1.00 0.27 H new ATOM 0 HB3 TYR A 99 -0.469 7.099 5.413 1.00 0.27 H new ATOM 0 HD1 TYR A 99 -1.047 7.015 8.292 1.00 1.17 H new ATOM 0 HD2 TYR A 99 -2.277 4.281 5.203 1.00 1.32 H new ATOM 0 HE1 TYR A 99 -1.251 5.203 9.968 1.00 1.18 H new ATOM 0 HE2 TYR A 99 -2.470 2.475 6.890 1.00 1.34 H new ATOM 0 HH TYR A 99 -2.277 1.892 9.031 1.00 0.47 H new ATOM 1636 N VAL A 100 -2.635 9.171 3.832 1.00 0.18 N ATOM 1637 CA VAL A 100 -2.413 10.232 2.805 1.00 0.19 C ATOM 1638 C VAL A 100 -2.893 11.579 3.357 1.00 0.21 C ATOM 1639 O VAL A 100 -2.312 12.613 3.090 1.00 0.22 O ATOM 1640 CB VAL A 100 -3.167 9.877 1.510 1.00 0.19 C ATOM 1641 CG1 VAL A 100 -4.656 10.223 1.640 1.00 0.22 C ATOM 1642 CG2 VAL A 100 -2.566 10.658 0.336 1.00 0.20 C ATOM 0 H VAL A 100 -3.267 8.419 3.557 1.00 0.18 H new ATOM 0 HA VAL A 100 -1.350 10.302 2.574 1.00 0.19 H new ATOM 0 HB VAL A 100 -3.068 8.806 1.333 1.00 0.19 H new ATOM 0 HG11 VAL A 100 -5.172 9.965 0.715 1.00 0.22 H new ATOM 0 HG12 VAL A 100 -5.090 9.660 2.466 1.00 0.22 H new ATOM 0 HG13 VAL A 100 -4.766 11.290 1.831 1.00 0.22 H new ATOM 0 HG21 VAL A 100 -3.100 10.406 -0.580 1.00 0.20 H new ATOM 0 HG22 VAL A 100 -2.656 11.727 0.526 1.00 0.20 H new ATOM 0 HG23 VAL A 100 -1.514 10.397 0.226 1.00 0.20 H new ATOM 1652 N ASP A 101 -3.947 11.572 4.126 1.00 0.23 N ATOM 1653 CA ASP A 101 -4.460 12.849 4.696 1.00 0.27 C ATOM 1654 C ASP A 101 -3.380 13.472 5.582 1.00 0.26 C ATOM 1655 O ASP A 101 -3.048 14.633 5.451 1.00 0.29 O ATOM 1656 CB ASP A 101 -5.710 12.569 5.537 1.00 0.30 C ATOM 1657 CG ASP A 101 -6.899 12.286 4.616 1.00 0.97 C ATOM 1658 OD1 ASP A 101 -6.679 11.743 3.546 1.00 1.60 O ATOM 1659 OD2 ASP A 101 -8.010 12.616 4.998 1.00 1.79 O ATOM 0 H ASP A 101 -4.474 10.738 4.384 1.00 0.23 H new ATOM 0 HA ASP A 101 -4.714 13.535 3.888 1.00 0.27 H new ATOM 0 HB2 ASP A 101 -5.535 11.716 6.193 1.00 0.30 H new ATOM 0 HB3 ASP A 101 -5.929 13.424 6.177 1.00 0.30 H new ATOM 1664 N THR A 102 -2.836 12.710 6.491 1.00 0.25 N ATOM 1665 CA THR A 102 -1.784 13.256 7.393 1.00 0.26 C ATOM 1666 C THR A 102 -0.574 13.702 6.571 1.00 0.26 C ATOM 1667 O THR A 102 -0.049 14.782 6.758 1.00 0.27 O ATOM 1668 CB THR A 102 -1.353 12.168 8.381 1.00 0.27 C ATOM 1669 OG1 THR A 102 -2.464 11.794 9.183 1.00 0.32 O ATOM 1670 CG2 THR A 102 -0.230 12.697 9.275 1.00 0.29 C ATOM 0 H THR A 102 -3.076 11.731 6.648 1.00 0.25 H new ATOM 0 HA THR A 102 -2.184 14.112 7.936 1.00 0.26 H new ATOM 0 HB THR A 102 -0.992 11.300 7.829 1.00 0.27 H new ATOM 0 HG1 THR A 102 -3.017 11.148 8.696 1.00 0.32 H new ATOM 0 HG21 THR A 102 0.073 11.920 9.976 1.00 0.29 H new ATOM 0 HG22 THR A 102 0.622 12.982 8.658 1.00 0.29 H new ATOM 0 HG23 THR A 102 -0.585 13.567 9.828 1.00 0.29 H new ATOM 1678 N LEU A 103 -0.121 12.879 5.667 1.00 0.25 N ATOM 1679 CA LEU A 103 1.061 13.257 4.844 1.00 0.27 C ATOM 1680 C LEU A 103 0.740 14.507 4.019 1.00 0.29 C ATOM 1681 O LEU A 103 1.560 15.394 3.884 1.00 0.31 O ATOM 1682 CB LEU A 103 1.423 12.098 3.906 1.00 0.29 C ATOM 1683 CG LEU A 103 2.747 12.392 3.175 1.00 0.34 C ATOM 1684 CD1 LEU A 103 3.941 12.238 4.132 1.00 0.36 C ATOM 1685 CD2 LEU A 103 2.903 11.412 2.007 1.00 0.41 C ATOM 0 H LEU A 103 -0.518 11.962 5.463 1.00 0.25 H new ATOM 0 HA LEU A 103 1.905 13.469 5.501 1.00 0.27 H new ATOM 0 HB2 LEU A 103 1.513 11.174 4.477 1.00 0.29 H new ATOM 0 HB3 LEU A 103 0.625 11.947 3.179 1.00 0.29 H new ATOM 0 HG LEU A 103 2.726 13.417 2.806 1.00 0.34 H new ATOM 0 HD11 LEU A 103 4.866 12.450 3.596 1.00 0.36 H new ATOM 0 HD12 LEU A 103 3.834 12.936 4.962 1.00 0.36 H new ATOM 0 HD13 LEU A 103 3.970 11.219 4.517 1.00 0.36 H new ATOM 0 HD21 LEU A 103 3.838 11.614 1.485 1.00 0.41 H new ATOM 0 HD22 LEU A 103 2.914 10.391 2.388 1.00 0.41 H new ATOM 0 HD23 LEU A 103 2.068 11.533 1.316 1.00 0.41 H new ATOM 1697 N PHE A 104 -0.434 14.585 3.453 1.00 0.29 N ATOM 1698 CA PHE A 104 -0.773 15.781 2.628 1.00 0.32 C ATOM 1699 C PHE A 104 -0.943 16.999 3.540 1.00 0.37 C ATOM 1700 O PHE A 104 -0.700 18.121 3.142 1.00 0.41 O ATOM 1701 CB PHE A 104 -2.068 15.522 1.854 1.00 0.33 C ATOM 1702 CG PHE A 104 -2.485 16.776 1.122 1.00 0.40 C ATOM 1703 CD1 PHE A 104 -2.017 17.020 -0.175 1.00 1.23 C ATOM 1704 CD2 PHE A 104 -3.342 17.694 1.740 1.00 1.17 C ATOM 1705 CE1 PHE A 104 -2.405 18.182 -0.853 1.00 1.29 C ATOM 1706 CE2 PHE A 104 -3.730 18.856 1.063 1.00 1.19 C ATOM 1707 CZ PHE A 104 -3.262 19.100 -0.234 1.00 0.60 C ATOM 0 H PHE A 104 -1.167 13.880 3.525 1.00 0.29 H new ATOM 0 HA PHE A 104 0.032 15.974 1.919 1.00 0.32 H new ATOM 0 HB2 PHE A 104 -1.922 14.707 1.145 1.00 0.33 H new ATOM 0 HB3 PHE A 104 -2.856 15.211 2.539 1.00 0.33 H new ATOM 0 HD1 PHE A 104 -1.356 16.312 -0.653 1.00 1.23 H new ATOM 0 HD2 PHE A 104 -3.704 17.506 2.740 1.00 1.17 H new ATOM 0 HE1 PHE A 104 -2.043 18.370 -1.853 1.00 1.29 H new ATOM 0 HE2 PHE A 104 -4.390 19.564 1.541 1.00 1.19 H new ATOM 0 HZ PHE A 104 -3.562 19.996 -0.757 1.00 0.60 H new ATOM 1717 N GLU A 105 -1.353 16.790 4.762 1.00 0.42 N ATOM 1718 CA GLU A 105 -1.530 17.938 5.691 1.00 0.52 C ATOM 1719 C GLU A 105 -0.162 18.560 5.974 1.00 0.56 C ATOM 1720 O GLU A 105 -0.005 19.764 6.015 1.00 0.61 O ATOM 1721 CB GLU A 105 -2.140 17.422 6.997 1.00 0.58 C ATOM 1722 CG GLU A 105 -2.616 18.600 7.846 1.00 1.20 C ATOM 1723 CD GLU A 105 -3.847 19.236 7.196 1.00 1.75 C ATOM 1724 OE1 GLU A 105 -4.809 18.522 6.970 1.00 2.47 O ATOM 1725 OE2 GLU A 105 -3.805 20.427 6.934 1.00 2.31 O ATOM 0 H GLU A 105 -1.572 15.875 5.155 1.00 0.42 H new ATOM 0 HA GLU A 105 -2.187 18.688 5.250 1.00 0.52 H new ATOM 0 HB2 GLU A 105 -2.976 16.756 6.781 1.00 0.58 H new ATOM 0 HB3 GLU A 105 -1.402 16.839 7.548 1.00 0.58 H new ATOM 0 HG2 GLU A 105 -2.858 18.261 8.853 1.00 1.20 H new ATOM 0 HG3 GLU A 105 -1.820 19.338 7.941 1.00 1.20 H new ATOM 1838 N GLN A 112 2.409 14.595 -7.111 1.00 0.54 N ATOM 1839 CA GLN A 112 2.167 13.125 -7.115 1.00 0.49 C ATOM 1840 C GLN A 112 1.304 12.760 -5.909 1.00 0.39 C ATOM 1841 O GLN A 112 0.545 11.812 -5.933 1.00 0.37 O ATOM 1842 CB GLN A 112 3.507 12.390 -7.025 1.00 0.54 C ATOM 1843 CG GLN A 112 4.263 12.540 -8.346 1.00 1.05 C ATOM 1844 CD GLN A 112 5.703 12.054 -8.169 1.00 1.82 C ATOM 1845 OE1 GLN A 112 5.946 10.869 -8.052 1.00 2.54 O ATOM 1846 NE2 GLN A 112 6.675 12.924 -8.144 1.00 2.56 N ATOM 0 HA GLN A 112 1.657 12.836 -8.034 1.00 0.49 H new ATOM 0 HB2 GLN A 112 4.101 12.795 -6.206 1.00 0.54 H new ATOM 0 HB3 GLN A 112 3.341 11.335 -6.807 1.00 0.54 H new ATOM 0 HG2 GLN A 112 3.767 11.965 -9.128 1.00 1.05 H new ATOM 0 HG3 GLN A 112 4.256 13.582 -8.664 1.00 1.05 H new ATOM 0 HE21 GLN A 112 6.472 13.919 -8.242 1.00 2.56 H new ATOM 0 HE22 GLN A 112 7.638 12.609 -8.026 1.00 2.56 H new ATOM 1855 N VAL A 113 1.413 13.520 -4.857 1.00 0.37 N ATOM 1856 CA VAL A 113 0.600 13.244 -3.641 1.00 0.32 C ATOM 1857 C VAL A 113 -0.834 13.693 -3.906 1.00 0.32 C ATOM 1858 O VAL A 113 -1.780 12.959 -3.697 1.00 0.30 O ATOM 1859 CB VAL A 113 1.170 14.032 -2.460 1.00 0.35 C ATOM 1860 CG1 VAL A 113 0.498 13.579 -1.162 1.00 0.41 C ATOM 1861 CG2 VAL A 113 2.679 13.791 -2.362 1.00 0.40 C ATOM 0 H VAL A 113 2.034 14.326 -4.787 1.00 0.37 H new ATOM 0 HA VAL A 113 0.623 12.180 -3.407 1.00 0.32 H new ATOM 0 HB VAL A 113 0.979 15.094 -2.614 1.00 0.35 H new ATOM 0 HG11 VAL A 113 0.908 14.143 -0.324 1.00 0.41 H new ATOM 0 HG12 VAL A 113 -0.576 13.755 -1.228 1.00 0.41 H new ATOM 0 HG13 VAL A 113 0.683 12.516 -1.008 1.00 0.41 H new ATOM 0 HG21 VAL A 113 3.083 14.353 -1.520 1.00 0.40 H new ATOM 0 HG22 VAL A 113 2.869 12.728 -2.213 1.00 0.40 H new ATOM 0 HG23 VAL A 113 3.161 14.120 -3.283 1.00 0.40 H new ATOM 1871 N GLY A 114 -0.995 14.901 -4.371 1.00 0.37 N ATOM 1872 CA GLY A 114 -2.364 15.410 -4.660 1.00 0.40 C ATOM 1873 C GLY A 114 -3.046 14.460 -5.644 1.00 0.38 C ATOM 1874 O GLY A 114 -4.238 14.234 -5.587 1.00 0.38 O ATOM 0 H GLY A 114 -0.238 15.557 -4.563 1.00 0.37 H new ATOM 0 HA2 GLY A 114 -2.943 15.479 -3.739 1.00 0.40 H new ATOM 0 HA3 GLY A 114 -2.312 16.415 -5.080 1.00 0.40 H new ATOM 1878 N ALA A 115 -2.288 13.897 -6.545 1.00 0.38 N ATOM 1879 CA ALA A 115 -2.873 12.954 -7.538 1.00 0.38 C ATOM 1880 C ALA A 115 -3.135 11.603 -6.863 1.00 0.33 C ATOM 1881 O ALA A 115 -4.203 11.031 -6.994 1.00 0.34 O ATOM 1882 CB ALA A 115 -1.898 12.779 -8.703 1.00 0.43 C ATOM 0 H ALA A 115 -1.284 14.051 -6.636 1.00 0.38 H new ATOM 0 HA ALA A 115 -3.815 13.351 -7.916 1.00 0.38 H new ATOM 0 HB1 ALA A 115 -2.323 12.089 -9.432 1.00 0.43 H new ATOM 0 HB2 ALA A 115 -1.720 13.744 -9.177 1.00 0.43 H new ATOM 0 HB3 ALA A 115 -0.955 12.379 -8.331 1.00 0.43 H new ATOM 1888 N LEU A 116 -2.193 11.084 -6.130 1.00 0.31 N ATOM 1889 CA LEU A 116 -2.444 9.782 -5.459 1.00 0.29 C ATOM 1890 C LEU A 116 -3.664 9.941 -4.550 1.00 0.26 C ATOM 1891 O LEU A 116 -4.557 9.116 -4.539 1.00 0.25 O ATOM 1892 CB LEU A 116 -1.219 9.376 -4.630 1.00 0.32 C ATOM 1893 CG LEU A 116 -1.472 8.033 -3.925 1.00 0.27 C ATOM 1894 CD1 LEU A 116 -1.758 6.929 -4.958 1.00 0.49 C ATOM 1895 CD2 LEU A 116 -0.231 7.659 -3.108 1.00 0.68 C ATOM 0 H LEU A 116 -1.274 11.497 -5.968 1.00 0.31 H new ATOM 0 HA LEU A 116 -2.629 9.005 -6.201 1.00 0.29 H new ATOM 0 HB2 LEU A 116 -0.345 9.296 -5.276 1.00 0.32 H new ATOM 0 HB3 LEU A 116 -1.000 10.147 -3.891 1.00 0.32 H new ATOM 0 HG LEU A 116 -2.338 8.130 -3.270 1.00 0.27 H new ATOM 0 HD11 LEU A 116 -1.935 5.985 -4.442 1.00 0.49 H new ATOM 0 HD12 LEU A 116 -2.640 7.195 -5.540 1.00 0.49 H new ATOM 0 HD13 LEU A 116 -0.902 6.824 -5.624 1.00 0.49 H new ATOM 0 HD21 LEU A 116 -0.400 6.708 -2.604 1.00 0.68 H new ATOM 0 HD22 LEU A 116 0.629 7.570 -3.772 1.00 0.68 H new ATOM 0 HD23 LEU A 116 -0.037 8.433 -2.366 1.00 0.68 H new ATOM 1907 N LYS A 117 -3.709 11.002 -3.790 1.00 0.27 N ATOM 1908 CA LYS A 117 -4.871 11.224 -2.884 1.00 0.28 C ATOM 1909 C LYS A 117 -6.154 11.258 -3.717 1.00 0.28 C ATOM 1910 O LYS A 117 -7.223 10.926 -3.247 1.00 0.29 O ATOM 1911 CB LYS A 117 -4.696 12.560 -2.153 1.00 0.33 C ATOM 1912 CG LYS A 117 -5.809 12.738 -1.117 1.00 0.78 C ATOM 1913 CD LYS A 117 -5.489 13.946 -0.231 1.00 0.86 C ATOM 1914 CE LYS A 117 -6.603 14.139 0.801 1.00 1.44 C ATOM 1915 NZ LYS A 117 -7.867 14.514 0.106 1.00 2.16 N ATOM 0 H LYS A 117 -2.990 11.725 -3.758 1.00 0.27 H new ATOM 0 HA LYS A 117 -4.931 10.418 -2.153 1.00 0.28 H new ATOM 0 HB2 LYS A 117 -3.723 12.591 -1.663 1.00 0.33 H new ATOM 0 HB3 LYS A 117 -4.719 13.382 -2.869 1.00 0.33 H new ATOM 0 HG2 LYS A 117 -6.767 12.883 -1.617 1.00 0.78 H new ATOM 0 HG3 LYS A 117 -5.901 11.839 -0.507 1.00 0.78 H new ATOM 0 HD2 LYS A 117 -4.535 13.796 0.274 1.00 0.86 H new ATOM 0 HD3 LYS A 117 -5.388 14.842 -0.844 1.00 0.86 H new ATOM 0 HE2 LYS A 117 -6.748 13.221 1.371 1.00 1.44 H new ATOM 0 HE3 LYS A 117 -6.323 14.916 1.513 1.00 1.44 H new ATOM 0 HZ1 LYS A 117 -8.168 15.459 0.419 1.00 2.16 H new ATOM 0 HZ2 LYS A 117 -7.708 14.525 -0.922 1.00 2.16 H new ATOM 0 HZ3 LYS A 117 -8.608 13.821 0.335 1.00 2.16 H new ATOM 1929 N SER A 118 -6.051 11.669 -4.955 1.00 0.29 N ATOM 1930 CA SER A 118 -7.260 11.740 -5.823 1.00 0.31 C ATOM 1931 C SER A 118 -7.801 10.333 -6.091 1.00 0.29 C ATOM 1932 O SER A 118 -8.990 10.147 -6.261 1.00 0.30 O ATOM 1933 CB SER A 118 -6.906 12.412 -7.150 1.00 0.34 C ATOM 1934 OG SER A 118 -6.176 13.605 -6.893 1.00 1.35 O ATOM 0 H SER A 118 -5.180 11.958 -5.401 1.00 0.29 H new ATOM 0 HA SER A 118 -8.025 12.325 -5.312 1.00 0.31 H new ATOM 0 HB2 SER A 118 -6.314 11.736 -7.767 1.00 0.34 H new ATOM 0 HB3 SER A 118 -7.814 12.641 -7.708 1.00 0.34 H new ATOM 0 HG SER A 118 -5.282 13.377 -6.564 1.00 1.35 H new ATOM 1940 N MET A 119 -6.963 9.328 -6.096 1.00 0.26 N ATOM 1941 CA MET A 119 -7.481 7.941 -6.318 1.00 0.25 C ATOM 1942 C MET A 119 -8.240 7.513 -5.062 1.00 0.23 C ATOM 1943 O MET A 119 -9.307 6.937 -5.121 1.00 0.24 O ATOM 1944 CB MET A 119 -6.304 6.982 -6.554 1.00 0.26 C ATOM 1945 CG MET A 119 -5.820 7.097 -8.000 1.00 0.61 C ATOM 1946 SD MET A 119 -5.208 8.778 -8.298 1.00 1.03 S ATOM 1947 CE MET A 119 -3.631 8.334 -9.069 1.00 0.69 C ATOM 0 H MET A 119 -5.955 9.403 -5.958 1.00 0.26 H new ATOM 0 HA MET A 119 -8.137 7.917 -7.188 1.00 0.25 H new ATOM 0 HB2 MET A 119 -5.489 7.217 -5.869 1.00 0.26 H new ATOM 0 HB3 MET A 119 -6.611 5.957 -6.345 1.00 0.26 H new ATOM 0 HG2 MET A 119 -5.029 6.371 -8.189 1.00 0.61 H new ATOM 0 HG3 MET A 119 -6.634 6.867 -8.687 1.00 0.61 H new ATOM 0 HE1 MET A 119 -3.087 9.241 -9.334 1.00 0.69 H new ATOM 0 HE2 MET A 119 -3.037 7.746 -8.369 1.00 0.69 H new ATOM 0 HE3 MET A 119 -3.818 7.747 -9.968 1.00 0.69 H new ATOM 1957 N VAL A 120 -7.685 7.816 -3.927 1.00 0.21 N ATOM 1958 CA VAL A 120 -8.325 7.476 -2.628 1.00 0.20 C ATOM 1959 C VAL A 120 -9.645 8.235 -2.458 1.00 0.22 C ATOM 1960 O VAL A 120 -10.668 7.649 -2.162 1.00 0.22 O ATOM 1961 CB VAL A 120 -7.372 7.891 -1.505 1.00 0.20 C ATOM 1962 CG1 VAL A 120 -7.892 7.362 -0.168 1.00 0.20 C ATOM 1963 CG2 VAL A 120 -5.984 7.304 -1.773 1.00 0.23 C ATOM 0 H VAL A 120 -6.790 8.298 -3.842 1.00 0.21 H new ATOM 0 HA VAL A 120 -8.531 6.406 -2.597 1.00 0.20 H new ATOM 0 HB VAL A 120 -7.311 8.979 -1.467 1.00 0.20 H new ATOM 0 HG11 VAL A 120 -7.212 7.659 0.630 1.00 0.20 H new ATOM 0 HG12 VAL A 120 -8.882 7.775 0.027 1.00 0.20 H new ATOM 0 HG13 VAL A 120 -7.954 6.274 -0.206 1.00 0.20 H new ATOM 0 HG21 VAL A 120 -5.304 7.599 -0.974 1.00 0.23 H new ATOM 0 HG22 VAL A 120 -6.050 6.217 -1.811 1.00 0.23 H new ATOM 0 HG23 VAL A 120 -5.608 7.678 -2.725 1.00 0.23 H new ATOM 1973 N GLU A 121 -9.639 9.527 -2.621 1.00 0.25 N ATOM 1974 CA GLU A 121 -10.903 10.299 -2.442 1.00 0.29 C ATOM 1975 C GLU A 121 -11.897 9.945 -3.550 1.00 0.28 C ATOM 1976 O GLU A 121 -13.093 9.948 -3.342 1.00 0.31 O ATOM 1977 CB GLU A 121 -10.592 11.800 -2.493 1.00 0.35 C ATOM 1978 CG GLU A 121 -9.949 12.238 -1.174 1.00 1.07 C ATOM 1979 CD GLU A 121 -11.003 12.241 -0.064 1.00 1.63 C ATOM 1980 OE1 GLU A 121 -12.171 12.391 -0.383 1.00 2.27 O ATOM 1981 OE2 GLU A 121 -10.624 12.093 1.086 1.00 2.20 O ATOM 0 H GLU A 121 -8.820 10.081 -2.869 1.00 0.25 H new ATOM 0 HA GLU A 121 -11.343 10.046 -1.477 1.00 0.29 H new ATOM 0 HB2 GLU A 121 -9.921 12.014 -3.325 1.00 0.35 H new ATOM 0 HB3 GLU A 121 -11.507 12.365 -2.668 1.00 0.35 H new ATOM 0 HG2 GLU A 121 -9.134 11.563 -0.913 1.00 1.07 H new ATOM 0 HG3 GLU A 121 -9.517 13.233 -1.281 1.00 1.07 H new ATOM 1988 N ASP A 122 -11.422 9.650 -4.725 1.00 0.28 N ATOM 1989 CA ASP A 122 -12.358 9.311 -5.832 1.00 0.30 C ATOM 1990 C ASP A 122 -12.997 7.946 -5.580 1.00 0.28 C ATOM 1991 O ASP A 122 -14.162 7.736 -5.865 1.00 0.31 O ATOM 1992 CB ASP A 122 -11.596 9.277 -7.159 1.00 0.34 C ATOM 1993 CG ASP A 122 -11.204 10.700 -7.561 1.00 1.16 C ATOM 1994 OD1 ASP A 122 -11.728 11.628 -6.967 1.00 1.89 O ATOM 1995 OD2 ASP A 122 -10.387 10.838 -8.456 1.00 1.92 O ATOM 0 H ASP A 122 -10.431 9.629 -4.967 1.00 0.28 H new ATOM 0 HA ASP A 122 -13.139 10.070 -5.878 1.00 0.30 H new ATOM 0 HB2 ASP A 122 -10.705 8.657 -7.063 1.00 0.34 H new ATOM 0 HB3 ASP A 122 -12.216 8.827 -7.935 1.00 0.34 H new ATOM 2000 N LYS A 123 -12.256 7.008 -5.059 1.00 0.27 N ATOM 2001 CA LYS A 123 -12.838 5.658 -4.812 1.00 0.27 C ATOM 2002 C LYS A 123 -13.704 5.684 -3.545 1.00 0.26 C ATOM 2003 O LYS A 123 -14.734 5.034 -3.478 1.00 0.28 O ATOM 2004 CB LYS A 123 -11.683 4.637 -4.650 1.00 0.27 C ATOM 2005 CG LYS A 123 -11.919 3.395 -5.524 1.00 0.93 C ATOM 2006 CD LYS A 123 -13.098 2.588 -4.971 1.00 1.10 C ATOM 2007 CE LYS A 123 -13.294 1.321 -5.811 1.00 1.43 C ATOM 2008 NZ LYS A 123 -14.099 0.334 -5.038 1.00 1.95 N ATOM 0 H LYS A 123 -11.277 7.116 -4.794 1.00 0.27 H new ATOM 0 HA LYS A 123 -13.467 5.367 -5.653 1.00 0.27 H new ATOM 0 HB2 LYS A 123 -10.738 5.105 -4.925 1.00 0.27 H new ATOM 0 HB3 LYS A 123 -11.599 4.340 -3.605 1.00 0.27 H new ATOM 0 HG2 LYS A 123 -12.122 3.696 -6.552 1.00 0.93 H new ATOM 0 HG3 LYS A 123 -11.021 2.777 -5.544 1.00 0.93 H new ATOM 0 HD2 LYS A 123 -12.913 2.321 -3.930 1.00 1.10 H new ATOM 0 HD3 LYS A 123 -14.005 3.192 -4.989 1.00 1.10 H new ATOM 0 HE2 LYS A 123 -13.798 1.566 -6.746 1.00 1.43 H new ATOM 0 HE3 LYS A 123 -12.327 0.892 -6.073 1.00 1.43 H new ATOM 0 HZ1 LYS A 123 -14.119 -0.573 -5.547 1.00 1.95 H new ATOM 0 HZ2 LYS A 123 -13.671 0.195 -4.100 1.00 1.95 H new ATOM 0 HZ3 LYS A 123 -15.070 0.689 -4.926 1.00 1.95 H new ATOM 2022 N ILE A 124 -13.317 6.427 -2.535 1.00 0.27 N ATOM 2023 CA ILE A 124 -14.159 6.451 -1.306 1.00 0.29 C ATOM 2024 C ILE A 124 -15.434 7.233 -1.640 1.00 0.35 C ATOM 2025 O ILE A 124 -16.449 7.101 -0.994 1.00 0.43 O ATOM 2026 CB ILE A 124 -13.384 7.062 -0.128 1.00 0.29 C ATOM 2027 CG1 ILE A 124 -12.297 6.071 0.311 1.00 0.27 C ATOM 2028 CG2 ILE A 124 -14.336 7.320 1.044 1.00 0.34 C ATOM 2029 CD1 ILE A 124 -11.451 6.668 1.442 1.00 0.30 C ATOM 0 H ILE A 124 -12.476 7.003 -2.510 1.00 0.27 H new ATOM 0 HA ILE A 124 -14.428 5.442 -0.993 1.00 0.29 H new ATOM 0 HB ILE A 124 -12.933 8.006 -0.435 1.00 0.29 H new ATOM 0 HG12 ILE A 124 -12.758 5.141 0.645 1.00 0.27 H new ATOM 0 HG13 ILE A 124 -11.658 5.823 -0.537 1.00 0.27 H new ATOM 0 HG21 ILE A 124 -13.780 7.753 1.876 1.00 0.34 H new ATOM 0 HG22 ILE A 124 -15.119 8.011 0.732 1.00 0.34 H new ATOM 0 HG23 ILE A 124 -14.787 6.380 1.360 1.00 0.34 H new ATOM 0 HD11 ILE A 124 -10.685 5.952 1.741 1.00 0.30 H new ATOM 0 HD12 ILE A 124 -10.975 7.585 1.095 1.00 0.30 H new ATOM 0 HD13 ILE A 124 -12.091 6.892 2.296 1.00 0.30 H new ATOM 2041 N GLN A 125 -15.376 8.041 -2.666 1.00 0.35 N ATOM 2042 CA GLN A 125 -16.586 8.817 -3.065 1.00 0.40 C ATOM 2043 C GLN A 125 -17.591 7.849 -3.709 1.00 0.43 C ATOM 2044 O GLN A 125 -18.787 7.980 -3.540 1.00 0.54 O ATOM 2045 CB GLN A 125 -16.200 9.932 -4.053 1.00 0.53 C ATOM 2046 CG GLN A 125 -15.873 11.218 -3.286 1.00 1.22 C ATOM 2047 CD GLN A 125 -15.488 12.318 -4.275 1.00 1.81 C ATOM 2048 OE1 GLN A 125 -15.036 12.039 -5.367 1.00 2.27 O ATOM 2049 NE2 GLN A 125 -15.650 13.568 -3.935 1.00 2.64 N ATOM 0 H GLN A 125 -14.548 8.196 -3.242 1.00 0.35 H new ATOM 0 HA GLN A 125 -17.036 9.286 -2.190 1.00 0.40 H new ATOM 0 HB2 GLN A 125 -15.339 9.623 -4.646 1.00 0.53 H new ATOM 0 HB3 GLN A 125 -17.019 10.112 -4.750 1.00 0.53 H new ATOM 0 HG2 GLN A 125 -16.734 11.531 -2.695 1.00 1.22 H new ATOM 0 HG3 GLN A 125 -15.055 11.040 -2.588 1.00 1.22 H new ATOM 0 HE21 GLN A 125 -16.030 13.802 -3.018 1.00 2.64 H new ATOM 0 HE22 GLN A 125 -15.397 14.311 -4.587 1.00 2.64 H new