USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 635 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 58 MET CE :methyl -117:sc= -0.608 (180deg=-4.21!) USER MOD Set 1.2: A 70 MET CE :methyl 168:sc= 0 (180deg=0) USER MOD Set 2.1: A 49 ASN : amide:sc= 0.161 X(o=0.16,f=-0.22) USER MOD Set 2.2: A 53 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0728) USER MOD Single : A 7 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0809) USER MOD Single : A 11 LYS NZ :NH3+ -146:sc= 0.356 (180deg=0.0395) USER MOD Single : A 14 LYS NZ :NH3+ 170:sc= 0.366 (180deg=0.277) USER MOD Single : A 20 THR OG1 : rot -75:sc= 0.259 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -175:sc= -0.794 (180deg=-1.07) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl -113:sc= -0.321 (180deg=-0.532) USER MOD Single : A 60 GLN : amide:sc= -0.0135 X(o=-0.014,f=0) USER MOD Single : A 61 MET CE :methyl -143:sc= -2.52 (180deg=-6.33!) USER MOD Single : A 62 TYR OH : rot 58:sc= 0.226 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= -0.9 K(o=-0.9,f=-7.3!) USER MOD Single : A 72 GLN : amide:sc= 0.0232 X(o=0.023,f=0.21) USER MOD Single : A 79 LYS NZ :NH3+ -114:sc= 0.517 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 113 N LYS A 7 -1.029 -14.055 7.734 1.00 72.32 N ATOM 114 CA LYS A 7 0.265 -13.392 8.034 1.00 21.42 C ATOM 115 C LYS A 7 0.628 -12.395 6.895 1.00 45.33 C ATOM 116 O LYS A 7 1.177 -11.320 7.152 1.00 15.25 O ATOM 117 CB LYS A 7 1.368 -14.486 8.249 1.00 13.13 C ATOM 118 CG LYS A 7 2.703 -14.029 8.923 1.00 60.42 C ATOM 119 CD LYS A 7 3.649 -13.221 7.993 1.00 62.53 C ATOM 120 CE LYS A 7 5.006 -12.900 8.643 1.00 41.13 C ATOM 121 NZ LYS A 7 5.807 -14.123 8.890 1.00 61.43 N ATOM 0 HA LYS A 7 0.190 -12.811 8.953 1.00 21.42 H new ATOM 0 HB2 LYS A 7 0.939 -15.284 8.855 1.00 13.13 H new ATOM 0 HB3 LYS A 7 1.610 -14.918 7.278 1.00 13.13 H new ATOM 0 HG2 LYS A 7 2.465 -13.421 9.796 1.00 60.42 H new ATOM 0 HG3 LYS A 7 3.234 -14.910 9.284 1.00 60.42 H new ATOM 0 HD2 LYS A 7 3.817 -13.786 7.076 1.00 62.53 H new ATOM 0 HD3 LYS A 7 3.160 -12.289 7.708 1.00 62.53 H new ATOM 0 HE2 LYS A 7 5.566 -12.224 7.997 1.00 41.13 H new ATOM 0 HE3 LYS A 7 4.842 -12.378 9.586 1.00 41.13 H new ATOM 0 HZ1 LYS A 7 6.763 -13.855 9.201 1.00 61.43 H new ATOM 0 HZ2 LYS A 7 5.350 -14.694 9.629 1.00 61.43 H new ATOM 0 HZ3 LYS A 7 5.872 -14.679 8.013 1.00 61.43 H new ATOM 135 N LEU A 8 0.288 -12.773 5.644 1.00 42.32 N ATOM 136 CA LEU A 8 0.508 -11.935 4.436 1.00 44.13 C ATOM 137 C LEU A 8 -0.247 -10.575 4.576 1.00 1.54 C ATOM 138 O LEU A 8 0.331 -9.502 4.366 1.00 12.30 O ATOM 139 CB LEU A 8 0.048 -12.758 3.175 1.00 34.13 C ATOM 140 CG LEU A 8 0.532 -12.307 1.744 1.00 2.11 C ATOM 141 CD1 LEU A 8 -0.170 -11.028 1.238 1.00 4.11 C ATOM 142 CD2 LEU A 8 2.068 -12.166 1.699 1.00 14.13 C ATOM 0 H LEU A 8 -0.149 -13.671 5.438 1.00 42.32 H new ATOM 0 HA LEU A 8 1.563 -11.689 4.320 1.00 44.13 H new ATOM 0 HB2 LEU A 8 0.370 -13.789 3.321 1.00 34.13 H new ATOM 0 HB3 LEU A 8 -1.042 -12.763 3.166 1.00 34.13 H new ATOM 0 HG LEU A 8 0.240 -13.099 1.055 1.00 2.11 H new ATOM 0 HD11 LEU A 8 0.209 -10.772 0.248 1.00 4.11 H new ATOM 0 HD12 LEU A 8 -1.245 -11.201 1.182 1.00 4.11 H new ATOM 0 HD13 LEU A 8 0.030 -10.207 1.926 1.00 4.11 H new ATOM 0 HD21 LEU A 8 2.376 -11.854 0.701 1.00 14.13 H new ATOM 0 HD22 LEU A 8 2.386 -11.420 2.427 1.00 14.13 H new ATOM 0 HD23 LEU A 8 2.529 -13.125 1.937 1.00 14.13 H new ATOM 154 N LEU A 9 -1.532 -10.650 4.978 1.00 1.10 N ATOM 155 CA LEU A 9 -2.407 -9.463 5.169 1.00 24.43 C ATOM 156 C LEU A 9 -2.020 -8.642 6.432 1.00 21.23 C ATOM 157 O LEU A 9 -2.229 -7.423 6.484 1.00 3.11 O ATOM 158 CB LEU A 9 -3.886 -9.915 5.267 1.00 30.12 C ATOM 159 CG LEU A 9 -4.444 -10.745 4.069 1.00 2.22 C ATOM 160 CD1 LEU A 9 -5.921 -11.150 4.303 1.00 11.25 C ATOM 161 CD2 LEU A 9 -4.255 -10.001 2.723 1.00 75.42 C ATOM 0 H LEU A 9 -1.998 -11.534 5.181 1.00 1.10 H new ATOM 0 HA LEU A 9 -2.271 -8.813 4.305 1.00 24.43 H new ATOM 0 HB2 LEU A 9 -4.002 -10.507 6.175 1.00 30.12 H new ATOM 0 HB3 LEU A 9 -4.507 -9.027 5.384 1.00 30.12 H new ATOM 0 HG LEU A 9 -3.863 -11.665 4.008 1.00 2.22 H new ATOM 0 HD11 LEU A 9 -6.280 -11.727 3.450 1.00 11.25 H new ATOM 0 HD12 LEU A 9 -5.994 -11.755 5.207 1.00 11.25 H new ATOM 0 HD13 LEU A 9 -6.530 -10.253 4.417 1.00 11.25 H new ATOM 0 HD21 LEU A 9 -4.655 -10.609 1.912 1.00 75.42 H new ATOM 0 HD22 LEU A 9 -4.783 -9.048 2.757 1.00 75.42 H new ATOM 0 HD23 LEU A 9 -3.193 -9.822 2.552 1.00 75.42 H new ATOM 173 N GLU A 10 -1.486 -9.342 7.447 1.00 33.52 N ATOM 174 CA GLU A 10 -0.951 -8.722 8.687 1.00 52.44 C ATOM 175 C GLU A 10 0.257 -7.808 8.367 1.00 21.03 C ATOM 176 O GLU A 10 0.383 -6.690 8.896 1.00 30.24 O ATOM 177 CB GLU A 10 -0.529 -9.842 9.679 1.00 72.31 C ATOM 178 CG GLU A 10 0.148 -9.357 10.980 1.00 44.44 C ATOM 179 CD GLU A 10 0.646 -10.507 11.872 1.00 12.44 C ATOM 180 OE1 GLU A 10 1.789 -10.977 11.676 1.00 30.13 O ATOM 181 OE2 GLU A 10 -0.113 -10.957 12.762 1.00 12.24 O ATOM 0 H GLU A 10 -1.410 -10.359 7.437 1.00 33.52 H new ATOM 0 HA GLU A 10 -1.728 -8.107 9.140 1.00 52.44 H new ATOM 0 HB2 GLU A 10 -1.414 -10.421 9.944 1.00 72.31 H new ATOM 0 HB3 GLU A 10 0.153 -10.520 9.166 1.00 72.31 H new ATOM 0 HG2 GLU A 10 0.990 -8.713 10.725 1.00 44.44 H new ATOM 0 HG3 GLU A 10 -0.559 -8.749 11.544 1.00 44.44 H new ATOM 188 N LYS A 11 1.134 -8.319 7.492 1.00 61.42 N ATOM 189 CA LYS A 11 2.310 -7.594 6.981 1.00 21.44 C ATOM 190 C LYS A 11 1.887 -6.336 6.163 1.00 21.53 C ATOM 191 O LYS A 11 2.550 -5.292 6.255 1.00 34.13 O ATOM 192 CB LYS A 11 3.177 -8.587 6.149 1.00 22.44 C ATOM 193 CG LYS A 11 4.354 -7.977 5.354 1.00 12.42 C ATOM 194 CD LYS A 11 5.448 -7.296 6.208 1.00 25.42 C ATOM 195 CE LYS A 11 6.548 -6.673 5.317 1.00 5.24 C ATOM 196 NZ LYS A 11 7.617 -5.996 6.097 1.00 63.10 N ATOM 0 H LYS A 11 1.047 -9.262 7.112 1.00 61.42 H new ATOM 0 HA LYS A 11 2.909 -7.218 7.811 1.00 21.44 H new ATOM 0 HB2 LYS A 11 3.578 -9.341 6.827 1.00 22.44 H new ATOM 0 HB3 LYS A 11 2.523 -9.105 5.447 1.00 22.44 H new ATOM 0 HG2 LYS A 11 4.818 -8.766 4.762 1.00 12.42 H new ATOM 0 HG3 LYS A 11 3.955 -7.244 4.653 1.00 12.42 H new ATOM 0 HD2 LYS A 11 4.998 -6.522 6.829 1.00 25.42 H new ATOM 0 HD3 LYS A 11 5.894 -8.027 6.883 1.00 25.42 H new ATOM 0 HE2 LYS A 11 6.995 -7.454 4.702 1.00 5.24 H new ATOM 0 HE3 LYS A 11 6.092 -5.954 4.637 1.00 5.24 H new ATOM 0 HZ1 LYS A 11 7.963 -5.170 5.568 1.00 63.10 H new ATOM 0 HZ2 LYS A 11 7.234 -5.685 7.013 1.00 63.10 H new ATOM 0 HZ3 LYS A 11 8.402 -6.659 6.257 1.00 63.10 H new ATOM 210 N LEU A 12 0.768 -6.441 5.395 1.00 23.23 N ATOM 211 CA LEU A 12 0.153 -5.273 4.695 1.00 42.32 C ATOM 212 C LEU A 12 -0.172 -4.118 5.674 1.00 4.41 C ATOM 213 O LEU A 12 0.098 -2.958 5.374 1.00 43.21 O ATOM 214 CB LEU A 12 -1.165 -5.657 3.924 1.00 53.21 C ATOM 215 CG LEU A 12 -1.034 -5.929 2.391 1.00 52.20 C ATOM 216 CD1 LEU A 12 -0.418 -7.307 2.098 1.00 33.11 C ATOM 217 CD2 LEU A 12 -2.398 -5.758 1.683 1.00 74.34 C ATOM 0 H LEU A 12 0.273 -7.320 5.244 1.00 23.23 H new ATOM 0 HA LEU A 12 0.902 -4.943 3.975 1.00 42.32 H new ATOM 0 HB2 LEU A 12 -1.584 -6.548 4.392 1.00 53.21 H new ATOM 0 HB3 LEU A 12 -1.887 -4.853 4.065 1.00 53.21 H new ATOM 0 HG LEU A 12 -0.347 -5.186 1.987 1.00 52.20 H new ATOM 0 HD11 LEU A 12 -0.347 -7.452 1.020 1.00 33.11 H new ATOM 0 HD12 LEU A 12 0.578 -7.361 2.538 1.00 33.11 H new ATOM 0 HD13 LEU A 12 -1.048 -8.086 2.528 1.00 33.11 H new ATOM 0 HD21 LEU A 12 -2.281 -5.952 0.617 1.00 74.34 H new ATOM 0 HD22 LEU A 12 -3.117 -6.461 2.104 1.00 74.34 H new ATOM 0 HD23 LEU A 12 -2.758 -4.740 1.829 1.00 74.34 H new ATOM 229 N GLU A 13 -0.766 -4.465 6.833 1.00 5.25 N ATOM 230 CA GLU A 13 -1.266 -3.480 7.817 1.00 5.31 C ATOM 231 C GLU A 13 -0.160 -2.502 8.297 1.00 11.21 C ATOM 232 O GLU A 13 -0.396 -1.292 8.373 1.00 44.32 O ATOM 233 CB GLU A 13 -1.919 -4.214 9.012 1.00 22.24 C ATOM 234 CG GLU A 13 -2.508 -3.281 10.090 1.00 21.21 C ATOM 235 CD GLU A 13 -3.298 -4.025 11.172 1.00 13.24 C ATOM 236 OE1 GLU A 13 -2.673 -4.651 12.056 1.00 33.23 O ATOM 237 OE2 GLU A 13 -4.547 -3.995 11.137 1.00 32.22 O ATOM 0 H GLU A 13 -0.913 -5.434 7.115 1.00 5.25 H new ATOM 0 HA GLU A 13 -2.018 -2.869 7.318 1.00 5.31 H new ATOM 0 HB2 GLU A 13 -2.712 -4.860 8.636 1.00 22.24 H new ATOM 0 HB3 GLU A 13 -1.174 -4.860 9.476 1.00 22.24 H new ATOM 0 HG2 GLU A 13 -1.698 -2.724 10.560 1.00 21.21 H new ATOM 0 HG3 GLU A 13 -3.161 -2.551 9.611 1.00 21.21 H new ATOM 244 N LYS A 14 1.045 -3.034 8.594 1.00 1.51 N ATOM 245 CA LYS A 14 2.235 -2.198 8.900 1.00 13.41 C ATOM 246 C LYS A 14 2.564 -1.258 7.720 1.00 22.23 C ATOM 247 O LYS A 14 2.744 -0.064 7.919 1.00 65.14 O ATOM 248 CB LYS A 14 3.483 -3.078 9.214 1.00 10.14 C ATOM 249 CG LYS A 14 4.809 -2.271 9.341 1.00 5.04 C ATOM 250 CD LYS A 14 6.068 -3.149 9.535 1.00 23.43 C ATOM 251 CE LYS A 14 7.375 -2.331 9.446 1.00 12.34 C ATOM 252 NZ LYS A 14 7.433 -1.226 10.446 1.00 43.13 N ATOM 0 H LYS A 14 1.224 -4.038 8.629 1.00 1.51 H new ATOM 0 HA LYS A 14 1.991 -1.604 9.781 1.00 13.41 H new ATOM 0 HB2 LYS A 14 3.309 -3.620 10.144 1.00 10.14 H new ATOM 0 HB3 LYS A 14 3.597 -3.824 8.427 1.00 10.14 H new ATOM 0 HG2 LYS A 14 4.938 -1.662 8.446 1.00 5.04 H new ATOM 0 HG3 LYS A 14 4.725 -1.585 10.184 1.00 5.04 H new ATOM 0 HD2 LYS A 14 6.017 -3.643 10.505 1.00 23.43 H new ATOM 0 HD3 LYS A 14 6.081 -3.933 8.778 1.00 23.43 H new ATOM 0 HE2 LYS A 14 8.226 -2.996 9.596 1.00 12.34 H new ATOM 0 HE3 LYS A 14 7.470 -1.913 8.444 1.00 12.34 H new ATOM 0 HZ1 LYS A 14 8.390 -0.819 10.459 1.00 43.13 H new ATOM 0 HZ2 LYS A 14 6.747 -0.488 10.188 1.00 43.13 H new ATOM 0 HZ3 LYS A 14 7.203 -1.599 11.389 1.00 43.13 H new ATOM 266 N ILE A 15 2.618 -1.830 6.501 1.00 4.02 N ATOM 267 CA ILE A 15 2.995 -1.097 5.269 1.00 41.44 C ATOM 268 C ILE A 15 2.053 0.101 5.006 1.00 51.11 C ATOM 269 O ILE A 15 2.511 1.150 4.609 1.00 41.22 O ATOM 270 CB ILE A 15 3.044 -2.070 4.030 1.00 51.50 C ATOM 271 CG1 ILE A 15 4.086 -3.207 4.295 1.00 15.52 C ATOM 272 CG2 ILE A 15 3.363 -1.324 2.701 1.00 2.31 C ATOM 273 CD1 ILE A 15 4.100 -4.303 3.254 1.00 20.24 C ATOM 0 H ILE A 15 2.402 -2.814 6.339 1.00 4.02 H new ATOM 0 HA ILE A 15 3.996 -0.692 5.419 1.00 41.44 H new ATOM 0 HB ILE A 15 2.053 -2.507 3.910 1.00 51.50 H new ATOM 0 HG12 ILE A 15 5.081 -2.764 4.351 1.00 15.52 H new ATOM 0 HG13 ILE A 15 3.879 -3.651 5.269 1.00 15.52 H new ATOM 0 HG21 ILE A 15 3.385 -2.039 1.879 1.00 2.31 H new ATOM 0 HG22 ILE A 15 2.594 -0.575 2.510 1.00 2.31 H new ATOM 0 HG23 ILE A 15 4.333 -0.834 2.782 1.00 2.31 H new ATOM 0 HD11 ILE A 15 4.852 -5.047 3.519 1.00 20.24 H new ATOM 0 HD12 ILE A 15 3.119 -4.777 3.212 1.00 20.24 H new ATOM 0 HD13 ILE A 15 4.339 -3.876 2.280 1.00 20.24 H new ATOM 285 N LEU A 16 0.751 -0.057 5.288 1.00 43.45 N ATOM 286 CA LEU A 16 -0.238 1.053 5.208 1.00 3.21 C ATOM 287 C LEU A 16 0.167 2.245 6.123 1.00 63.54 C ATOM 288 O LEU A 16 0.068 3.408 5.725 1.00 55.42 O ATOM 289 CB LEU A 16 -1.654 0.528 5.577 1.00 41.01 C ATOM 290 CG LEU A 16 -2.517 -0.077 4.415 1.00 3.42 C ATOM 291 CD1 LEU A 16 -1.732 -1.058 3.515 1.00 41.02 C ATOM 292 CD2 LEU A 16 -3.789 -0.744 4.983 1.00 3.20 C ATOM 0 H LEU A 16 0.346 -0.947 5.577 1.00 43.45 H new ATOM 0 HA LEU A 16 -0.254 1.423 4.183 1.00 3.21 H new ATOM 0 HB2 LEU A 16 -1.542 -0.235 6.347 1.00 41.01 H new ATOM 0 HB3 LEU A 16 -2.214 1.350 6.022 1.00 41.01 H new ATOM 0 HG LEU A 16 -2.804 0.755 3.772 1.00 3.42 H new ATOM 0 HD11 LEU A 16 -2.389 -1.439 2.733 1.00 41.02 H new ATOM 0 HD12 LEU A 16 -0.888 -0.539 3.060 1.00 41.02 H new ATOM 0 HD13 LEU A 16 -1.365 -1.889 4.117 1.00 41.02 H new ATOM 0 HD21 LEU A 16 -4.378 -1.159 4.165 1.00 3.20 H new ATOM 0 HD22 LEU A 16 -3.506 -1.543 5.669 1.00 3.20 H new ATOM 0 HD23 LEU A 16 -4.382 -0.001 5.517 1.00 3.20 H new ATOM 304 N ASP A 17 0.632 1.925 7.344 1.00 31.34 N ATOM 305 CA ASP A 17 1.172 2.923 8.299 1.00 62.51 C ATOM 306 C ASP A 17 2.510 3.535 7.798 1.00 14.24 C ATOM 307 O ASP A 17 2.758 4.734 7.973 1.00 35.01 O ATOM 308 CB ASP A 17 1.348 2.274 9.699 1.00 61.10 C ATOM 309 CG ASP A 17 0.004 1.964 10.376 1.00 21.54 C ATOM 310 OD1 ASP A 17 -0.731 2.924 10.706 1.00 72.23 O ATOM 311 OD2 ASP A 17 -0.323 0.781 10.591 1.00 70.23 O ATOM 0 H ASP A 17 0.646 0.970 7.701 1.00 31.34 H new ATOM 0 HA ASP A 17 0.456 3.741 8.375 1.00 62.51 H new ATOM 0 HB2 ASP A 17 1.922 1.353 9.599 1.00 61.10 H new ATOM 0 HB3 ASP A 17 1.927 2.943 10.336 1.00 61.10 H new ATOM 316 N GLU A 18 3.349 2.694 7.155 1.00 1.02 N ATOM 317 CA GLU A 18 4.655 3.102 6.584 1.00 13.13 C ATOM 318 C GLU A 18 4.473 4.067 5.376 1.00 11.01 C ATOM 319 O GLU A 18 5.260 4.994 5.188 1.00 35.12 O ATOM 320 CB GLU A 18 5.465 1.852 6.115 1.00 32.03 C ATOM 321 CG GLU A 18 5.761 0.778 7.186 1.00 51.31 C ATOM 322 CD GLU A 18 6.661 1.256 8.334 1.00 22.33 C ATOM 323 OE1 GLU A 18 7.859 1.509 8.090 1.00 23.34 O ATOM 324 OE2 GLU A 18 6.195 1.334 9.491 1.00 2.11 O ATOM 0 H GLU A 18 3.139 1.706 7.016 1.00 1.02 H new ATOM 0 HA GLU A 18 5.201 3.621 7.372 1.00 13.13 H new ATOM 0 HB2 GLU A 18 4.919 1.378 5.299 1.00 32.03 H new ATOM 0 HB3 GLU A 18 6.415 2.196 5.705 1.00 32.03 H new ATOM 0 HG2 GLU A 18 4.816 0.429 7.603 1.00 51.31 H new ATOM 0 HG3 GLU A 18 6.233 -0.078 6.703 1.00 51.31 H new ATOM 331 N VAL A 19 3.428 3.821 4.557 1.00 23.30 N ATOM 332 CA VAL A 19 3.153 4.607 3.330 1.00 73.03 C ATOM 333 C VAL A 19 2.491 5.960 3.668 1.00 2.30 C ATOM 334 O VAL A 19 2.858 6.979 3.090 1.00 54.45 O ATOM 335 CB VAL A 19 2.279 3.803 2.292 1.00 50.13 C ATOM 336 CG1 VAL A 19 1.991 4.638 1.024 1.00 1.31 C ATOM 337 CG2 VAL A 19 2.958 2.471 1.893 1.00 52.42 C ATOM 0 H VAL A 19 2.752 3.075 4.725 1.00 23.30 H new ATOM 0 HA VAL A 19 4.117 4.804 2.861 1.00 73.03 H new ATOM 0 HB VAL A 19 1.333 3.581 2.785 1.00 50.13 H new ATOM 0 HG11 VAL A 19 1.387 4.052 0.332 1.00 1.31 H new ATOM 0 HG12 VAL A 19 1.451 5.544 1.300 1.00 1.31 H new ATOM 0 HG13 VAL A 19 2.932 4.908 0.545 1.00 1.31 H new ATOM 0 HG21 VAL A 19 2.329 1.942 1.177 1.00 52.42 H new ATOM 0 HG22 VAL A 19 3.928 2.678 1.441 1.00 52.42 H new ATOM 0 HG23 VAL A 19 3.096 1.853 2.780 1.00 52.42 H new ATOM 347 N THR A 20 1.525 5.959 4.609 1.00 3.23 N ATOM 348 CA THR A 20 0.870 7.210 5.081 1.00 33.54 C ATOM 349 C THR A 20 1.894 8.157 5.758 1.00 45.14 C ATOM 350 O THR A 20 1.905 9.360 5.496 1.00 0.13 O ATOM 351 CB THR A 20 -0.311 6.923 6.079 1.00 1.42 C ATOM 352 OG1 THR A 20 0.151 6.099 7.162 1.00 34.13 O ATOM 353 CG2 THR A 20 -1.509 6.245 5.388 1.00 63.43 C ATOM 0 H THR A 20 1.178 5.112 5.060 1.00 3.23 H new ATOM 0 HA THR A 20 0.459 7.694 4.195 1.00 33.54 H new ATOM 0 HB THR A 20 -0.652 7.885 6.461 1.00 1.42 H new ATOM 0 HG1 THR A 20 0.263 5.178 6.847 1.00 34.13 H new ATOM 0 HG21 THR A 20 -2.298 6.068 6.119 1.00 63.43 H new ATOM 0 HG22 THR A 20 -1.886 6.892 4.596 1.00 63.43 H new ATOM 0 HG23 THR A 20 -1.192 5.295 4.959 1.00 63.43 H new ATOM 361 N ASP A 21 2.763 7.593 6.616 1.00 3.33 N ATOM 362 CA ASP A 21 3.827 8.360 7.309 1.00 12.14 C ATOM 363 C ASP A 21 4.937 8.825 6.322 1.00 71.30 C ATOM 364 O ASP A 21 5.344 9.992 6.343 1.00 51.33 O ATOM 365 CB ASP A 21 4.428 7.504 8.451 1.00 41.12 C ATOM 366 CG ASP A 21 5.483 8.253 9.292 1.00 72.34 C ATOM 367 OD1 ASP A 21 5.101 9.035 10.179 1.00 61.44 O ATOM 368 OD2 ASP A 21 6.694 8.064 9.065 1.00 44.52 O ATOM 0 H ASP A 21 2.753 6.600 6.851 1.00 3.33 H new ATOM 0 HA ASP A 21 3.379 9.259 7.733 1.00 12.14 H new ATOM 0 HB2 ASP A 21 3.623 7.170 9.106 1.00 41.12 H new ATOM 0 HB3 ASP A 21 4.883 6.610 8.024 1.00 41.12 H new ATOM 373 N GLY A 22 5.408 7.897 5.465 1.00 42.23 N ATOM 374 CA GLY A 22 6.490 8.178 4.492 1.00 31.43 C ATOM 375 C GLY A 22 6.045 8.953 3.241 1.00 43.11 C ATOM 376 O GLY A 22 6.878 9.330 2.409 1.00 33.34 O ATOM 0 H GLY A 22 5.056 6.941 5.425 1.00 42.23 H new ATOM 0 HA2 GLY A 22 7.273 8.745 4.994 1.00 31.43 H new ATOM 0 HA3 GLY A 22 6.932 7.232 4.178 1.00 31.43 H new ATOM 380 N ALA A 23 4.729 9.184 3.119 1.00 0.24 N ATOM 381 CA ALA A 23 4.127 9.960 2.016 1.00 2.12 C ATOM 382 C ALA A 23 4.612 11.433 1.971 1.00 32.41 C ATOM 383 O ALA A 23 4.983 12.001 3.010 1.00 12.02 O ATOM 384 CB ALA A 23 2.605 9.959 2.177 1.00 13.23 C ATOM 0 H ALA A 23 4.043 8.835 3.788 1.00 0.24 H new ATOM 0 HA ALA A 23 4.437 9.482 1.087 1.00 2.12 H new ATOM 0 HB1 ALA A 23 2.153 10.530 1.366 1.00 13.23 H new ATOM 0 HB2 ALA A 23 2.237 8.934 2.148 1.00 13.23 H new ATOM 0 HB3 ALA A 23 2.340 10.413 3.132 1.00 13.23 H new ATOM 390 N PRO A 24 4.610 12.079 0.763 1.00 22.21 N ATOM 391 CA PRO A 24 4.567 13.554 0.673 1.00 72.41 C ATOM 392 C PRO A 24 3.247 14.092 1.303 1.00 21.12 C ATOM 393 O PRO A 24 2.182 13.498 1.106 1.00 15.12 O ATOM 394 CB PRO A 24 4.665 13.841 -0.852 1.00 72.41 C ATOM 395 CG PRO A 24 4.338 12.542 -1.536 1.00 74.45 C ATOM 396 CD PRO A 24 4.722 11.439 -0.575 1.00 12.03 C ATOM 0 HA PRO A 24 5.368 14.051 1.220 1.00 72.41 H new ATOM 0 HB2 PRO A 24 3.968 14.625 -1.148 1.00 72.41 H new ATOM 0 HB3 PRO A 24 5.664 14.184 -1.122 1.00 72.41 H new ATOM 0 HG2 PRO A 24 3.277 12.490 -1.782 1.00 74.45 H new ATOM 0 HG3 PRO A 24 4.887 12.448 -2.473 1.00 74.45 H new ATOM 0 HD2 PRO A 24 4.056 10.581 -0.665 1.00 12.03 H new ATOM 0 HD3 PRO A 24 5.734 11.079 -0.763 1.00 12.03 H new ATOM 404 N ASP A 25 3.341 15.212 2.046 1.00 13.13 N ATOM 405 CA ASP A 25 2.258 15.740 2.932 1.00 53.43 C ATOM 406 C ASP A 25 0.861 15.832 2.252 1.00 12.20 C ATOM 407 O ASP A 25 -0.161 15.462 2.847 1.00 64.41 O ATOM 408 CB ASP A 25 2.675 17.135 3.467 1.00 22.54 C ATOM 409 CG ASP A 25 4.022 17.099 4.206 1.00 12.54 C ATOM 410 OD1 ASP A 25 5.078 17.264 3.553 1.00 25.14 O ATOM 411 OD2 ASP A 25 4.031 16.878 5.432 1.00 11.14 O ATOM 0 H ASP A 25 4.180 15.792 2.055 1.00 13.13 H new ATOM 0 HA ASP A 25 2.145 15.022 3.744 1.00 53.43 H new ATOM 0 HB2 ASP A 25 2.739 17.836 2.635 1.00 22.54 H new ATOM 0 HB3 ASP A 25 1.904 17.508 4.141 1.00 22.54 H new ATOM 416 N GLU A 26 0.842 16.318 1.002 1.00 42.40 N ATOM 417 CA GLU A 26 -0.405 16.493 0.216 1.00 12.13 C ATOM 418 C GLU A 26 -0.981 15.142 -0.302 1.00 11.21 C ATOM 419 O GLU A 26 -2.203 14.955 -0.348 1.00 13.25 O ATOM 420 CB GLU A 26 -0.146 17.475 -0.958 1.00 43.44 C ATOM 421 CG GLU A 26 0.982 17.047 -1.932 1.00 5.04 C ATOM 422 CD GLU A 26 1.229 18.068 -3.054 1.00 42.42 C ATOM 423 OE1 GLU A 26 0.332 18.240 -3.906 1.00 15.31 O ATOM 424 OE2 GLU A 26 2.312 18.693 -3.095 1.00 11.41 O ATOM 0 H GLU A 26 1.684 16.602 0.502 1.00 42.40 H new ATOM 0 HA GLU A 26 -1.161 16.912 0.880 1.00 12.13 H new ATOM 0 HB2 GLU A 26 -1.070 17.592 -1.525 1.00 43.44 H new ATOM 0 HB3 GLU A 26 0.102 18.453 -0.546 1.00 43.44 H new ATOM 0 HG2 GLU A 26 1.905 16.904 -1.370 1.00 5.04 H new ATOM 0 HG3 GLU A 26 0.726 16.084 -2.375 1.00 5.04 H new ATOM 431 N ALA A 27 -0.087 14.198 -0.665 1.00 71.14 N ATOM 432 CA ALA A 27 -0.478 12.856 -1.175 1.00 3.31 C ATOM 433 C ALA A 27 -0.941 11.911 -0.044 1.00 23.14 C ATOM 434 O ALA A 27 -1.669 10.945 -0.298 1.00 34.40 O ATOM 435 CB ALA A 27 0.687 12.221 -1.949 1.00 42.31 C ATOM 0 H ALA A 27 0.922 14.338 -0.615 1.00 71.14 H new ATOM 0 HA ALA A 27 -1.325 13.001 -1.845 1.00 3.31 H new ATOM 0 HB1 ALA A 27 0.388 11.240 -2.317 1.00 42.31 H new ATOM 0 HB2 ALA A 27 0.954 12.858 -2.792 1.00 42.31 H new ATOM 0 HB3 ALA A 27 1.547 12.114 -1.288 1.00 42.31 H new ATOM 441 N ARG A 28 -0.506 12.213 1.200 1.00 15.53 N ATOM 442 CA ARG A 28 -0.858 11.436 2.414 1.00 45.15 C ATOM 443 C ARG A 28 -2.388 11.282 2.586 1.00 21.21 C ATOM 444 O ARG A 28 -2.870 10.203 2.935 1.00 54.23 O ATOM 445 CB ARG A 28 -0.233 12.113 3.665 1.00 13.43 C ATOM 446 CG ARG A 28 -0.541 11.411 5.009 1.00 21.54 C ATOM 447 CD ARG A 28 0.162 12.076 6.209 1.00 52.31 C ATOM 448 NE ARG A 28 -0.238 13.484 6.380 1.00 13.33 N ATOM 449 CZ ARG A 28 0.551 14.482 6.738 1.00 34.24 C ATOM 450 NH1 ARG A 28 1.824 14.314 6.940 1.00 45.20 N ATOM 451 NH2 ARG A 28 0.043 15.658 6.881 1.00 54.43 N ATOM 0 H ARG A 28 0.103 13.008 1.393 1.00 15.53 H new ATOM 0 HA ARG A 28 -0.450 10.432 2.299 1.00 45.15 H new ATOM 0 HB2 ARG A 28 0.848 12.157 3.534 1.00 13.43 H new ATOM 0 HB3 ARG A 28 -0.589 13.142 3.719 1.00 13.43 H new ATOM 0 HG2 ARG A 28 -1.618 11.416 5.177 1.00 21.54 H new ATOM 0 HG3 ARG A 28 -0.233 10.367 4.947 1.00 21.54 H new ATOM 0 HD2 ARG A 28 -0.072 11.521 7.118 1.00 52.31 H new ATOM 0 HD3 ARG A 28 1.242 12.021 6.071 1.00 52.31 H new ATOM 0 HE ARG A 28 -1.217 13.710 6.205 1.00 13.33 H new ATOM 0 HH11 ARG A 28 2.241 13.391 6.823 1.00 45.20 H new ATOM 0 HH12 ARG A 28 2.405 15.105 7.216 1.00 45.20 H new ATOM 0 HH21 ARG A 28 -0.953 15.807 6.718 1.00 54.43 H new ATOM 0 HH22 ARG A 28 0.637 16.440 7.157 1.00 54.43 H new ATOM 465 N GLU A 29 -3.122 12.370 2.283 1.00 45.40 N ATOM 466 CA GLU A 29 -4.602 12.429 2.361 1.00 13.43 C ATOM 467 C GLU A 29 -5.272 11.274 1.563 1.00 55.43 C ATOM 468 O GLU A 29 -6.171 10.583 2.065 1.00 54.11 O ATOM 469 CB GLU A 29 -5.083 13.798 1.810 1.00 2.12 C ATOM 470 CG GLU A 29 -4.473 15.031 2.520 1.00 11.54 C ATOM 471 CD GLU A 29 -4.977 16.380 1.972 1.00 73.11 C ATOM 472 OE1 GLU A 29 -6.200 16.639 2.057 1.00 63.41 O ATOM 473 OE2 GLU A 29 -4.165 17.184 1.448 1.00 3.35 O ATOM 0 H GLU A 29 -2.702 13.246 1.973 1.00 45.40 H new ATOM 0 HA GLU A 29 -4.894 12.316 3.405 1.00 13.43 H new ATOM 0 HB2 GLU A 29 -4.843 13.852 0.748 1.00 2.12 H new ATOM 0 HB3 GLU A 29 -6.169 13.847 1.894 1.00 2.12 H new ATOM 0 HG2 GLU A 29 -4.701 14.975 3.584 1.00 11.54 H new ATOM 0 HG3 GLU A 29 -3.388 14.993 2.424 1.00 11.54 H new ATOM 480 N ARG A 30 -4.782 11.075 0.324 1.00 71.54 N ATOM 481 CA ARG A 30 -5.259 10.031 -0.615 1.00 60.34 C ATOM 482 C ARG A 30 -5.041 8.601 -0.045 1.00 22.04 C ATOM 483 O ARG A 30 -5.915 7.726 -0.147 1.00 65.15 O ATOM 484 CB ARG A 30 -4.496 10.192 -1.963 1.00 42.44 C ATOM 485 CG ARG A 30 -4.907 9.217 -3.093 1.00 21.03 C ATOM 486 CD ARG A 30 -6.353 9.435 -3.584 1.00 74.31 C ATOM 487 NE ARG A 30 -6.682 8.548 -4.712 1.00 30.11 N ATOM 488 CZ ARG A 30 -7.749 8.629 -5.478 1.00 3.21 C ATOM 489 NH1 ARG A 30 -8.640 9.551 -5.308 1.00 62.24 N ATOM 490 NH2 ARG A 30 -7.895 7.784 -6.443 1.00 71.31 N ATOM 0 H ARG A 30 -4.029 11.644 -0.063 1.00 71.54 H new ATOM 0 HA ARG A 30 -6.331 10.158 -0.766 1.00 60.34 H new ATOM 0 HB2 ARG A 30 -4.639 11.212 -2.320 1.00 42.44 H new ATOM 0 HB3 ARG A 30 -3.430 10.068 -1.772 1.00 42.44 H new ATOM 0 HG2 ARG A 30 -4.223 9.335 -3.933 1.00 21.03 H new ATOM 0 HG3 ARG A 30 -4.801 8.192 -2.737 1.00 21.03 H new ATOM 0 HD2 ARG A 30 -7.048 9.254 -2.764 1.00 74.31 H new ATOM 0 HD3 ARG A 30 -6.482 10.474 -3.888 1.00 74.31 H new ATOM 0 HE ARG A 30 -6.020 7.800 -4.919 1.00 30.11 H new ATOM 0 HH11 ARG A 30 -8.526 10.240 -4.565 1.00 62.24 H new ATOM 0 HH12 ARG A 30 -9.457 9.589 -5.917 1.00 62.24 H new ATOM 0 HH21 ARG A 30 -7.189 7.066 -6.603 1.00 71.31 H new ATOM 0 HH22 ARG A 30 -8.717 7.834 -7.045 1.00 71.31 H new ATOM 504 N ILE A 31 -3.865 8.403 0.571 1.00 13.55 N ATOM 505 CA ILE A 31 -3.428 7.091 1.100 1.00 14.24 C ATOM 506 C ILE A 31 -4.224 6.693 2.363 1.00 34.24 C ATOM 507 O ILE A 31 -4.575 5.525 2.524 1.00 54.10 O ATOM 508 CB ILE A 31 -1.886 7.108 1.433 1.00 63.44 C ATOM 509 CG1 ILE A 31 -1.094 7.669 0.215 1.00 72.34 C ATOM 510 CG2 ILE A 31 -1.381 5.691 1.829 1.00 23.02 C ATOM 511 CD1 ILE A 31 0.389 7.868 0.434 1.00 64.20 C ATOM 0 H ILE A 31 -3.184 9.148 0.719 1.00 13.55 H new ATOM 0 HA ILE A 31 -3.621 6.351 0.323 1.00 14.24 H new ATOM 0 HB ILE A 31 -1.719 7.760 2.290 1.00 63.44 H new ATOM 0 HG12 ILE A 31 -1.231 6.991 -0.628 1.00 72.34 H new ATOM 0 HG13 ILE A 31 -1.532 8.625 -0.071 1.00 72.34 H new ATOM 0 HG21 ILE A 31 -0.315 5.734 2.053 1.00 23.02 H new ATOM 0 HG22 ILE A 31 -1.923 5.344 2.709 1.00 23.02 H new ATOM 0 HG23 ILE A 31 -1.551 5.000 1.003 1.00 23.02 H new ATOM 0 HD11 ILE A 31 0.842 8.262 -0.476 1.00 64.20 H new ATOM 0 HD12 ILE A 31 0.545 8.573 1.251 1.00 64.20 H new ATOM 0 HD13 ILE A 31 0.851 6.913 0.685 1.00 64.20 H new ATOM 523 N GLU A 32 -4.501 7.683 3.241 1.00 41.35 N ATOM 524 CA GLU A 32 -5.224 7.460 4.523 1.00 31.25 C ATOM 525 C GLU A 32 -6.650 6.888 4.300 1.00 43.30 C ATOM 526 O GLU A 32 -7.110 6.033 5.072 1.00 2.12 O ATOM 527 CB GLU A 32 -5.282 8.782 5.344 1.00 15.13 C ATOM 528 CG GLU A 32 -3.903 9.300 5.819 1.00 3.32 C ATOM 529 CD GLU A 32 -3.979 10.618 6.613 1.00 63.14 C ATOM 530 OE1 GLU A 32 -3.914 11.708 5.999 1.00 70.41 O ATOM 531 OE2 GLU A 32 -4.100 10.566 7.858 1.00 15.53 O ATOM 0 H GLU A 32 -4.233 8.655 3.087 1.00 41.35 H new ATOM 0 HA GLU A 32 -4.667 6.713 5.089 1.00 31.25 H new ATOM 0 HB2 GLU A 32 -5.756 9.552 4.736 1.00 15.13 H new ATOM 0 HB3 GLU A 32 -5.918 8.627 6.215 1.00 15.13 H new ATOM 0 HG2 GLU A 32 -3.432 8.538 6.440 1.00 3.32 H new ATOM 0 HG3 GLU A 32 -3.260 9.445 4.951 1.00 3.32 H new ATOM 538 N LYS A 33 -7.326 7.359 3.232 1.00 15.31 N ATOM 539 CA LYS A 33 -8.663 6.852 2.838 1.00 35.34 C ATOM 540 C LYS A 33 -8.589 5.378 2.377 1.00 11.35 C ATOM 541 O LYS A 33 -9.287 4.512 2.914 1.00 15.53 O ATOM 542 CB LYS A 33 -9.268 7.718 1.699 1.00 33.22 C ATOM 543 CG LYS A 33 -10.663 7.242 1.221 1.00 34.01 C ATOM 544 CD LYS A 33 -11.190 8.030 0.006 1.00 61.01 C ATOM 545 CE LYS A 33 -12.545 7.495 -0.491 1.00 73.52 C ATOM 546 NZ LYS A 33 -13.030 8.218 -1.694 1.00 55.13 N ATOM 0 H LYS A 33 -6.968 8.094 2.622 1.00 15.31 H new ATOM 0 HA LYS A 33 -9.305 6.914 3.716 1.00 35.34 H new ATOM 0 HB2 LYS A 33 -9.345 8.750 2.042 1.00 33.22 H new ATOM 0 HB3 LYS A 33 -8.584 7.715 0.851 1.00 33.22 H new ATOM 0 HG2 LYS A 33 -10.610 6.184 0.965 1.00 34.01 H new ATOM 0 HG3 LYS A 33 -11.373 7.336 2.043 1.00 34.01 H new ATOM 0 HD2 LYS A 33 -11.293 9.082 0.274 1.00 61.01 H new ATOM 0 HD3 LYS A 33 -10.462 7.977 -0.803 1.00 61.01 H new ATOM 0 HE2 LYS A 33 -12.452 6.434 -0.721 1.00 73.52 H new ATOM 0 HE3 LYS A 33 -13.283 7.585 0.306 1.00 73.52 H new ATOM 0 HZ1 LYS A 33 -13.945 7.823 -1.991 1.00 55.13 H new ATOM 0 HZ2 LYS A 33 -13.145 9.227 -1.470 1.00 55.13 H new ATOM 0 HZ3 LYS A 33 -12.340 8.111 -2.465 1.00 55.13 H new ATOM 560 N LEU A 34 -7.711 5.110 1.389 1.00 24.32 N ATOM 561 CA LEU A 34 -7.556 3.764 0.785 1.00 3.23 C ATOM 562 C LEU A 34 -7.013 2.724 1.807 1.00 33.33 C ATOM 563 O LEU A 34 -7.318 1.531 1.710 1.00 64.33 O ATOM 564 CB LEU A 34 -6.642 3.853 -0.470 1.00 0.41 C ATOM 565 CG LEU A 34 -6.462 2.537 -1.305 1.00 21.35 C ATOM 566 CD1 LEU A 34 -7.815 1.967 -1.793 1.00 70.35 C ATOM 567 CD2 LEU A 34 -5.504 2.765 -2.496 1.00 13.31 C ATOM 0 H LEU A 34 -7.091 5.813 0.987 1.00 24.32 H new ATOM 0 HA LEU A 34 -8.542 3.413 0.481 1.00 3.23 H new ATOM 0 HB2 LEU A 34 -7.044 4.622 -1.130 1.00 0.41 H new ATOM 0 HB3 LEU A 34 -5.656 4.190 -0.150 1.00 0.41 H new ATOM 0 HG LEU A 34 -6.019 1.795 -0.640 1.00 21.35 H new ATOM 0 HD11 LEU A 34 -7.641 1.057 -2.366 1.00 70.35 H new ATOM 0 HD12 LEU A 34 -8.445 1.739 -0.933 1.00 70.35 H new ATOM 0 HD13 LEU A 34 -8.314 2.703 -2.424 1.00 70.35 H new ATOM 0 HD21 LEU A 34 -5.396 1.838 -3.059 1.00 13.31 H new ATOM 0 HD22 LEU A 34 -5.910 3.539 -3.147 1.00 13.31 H new ATOM 0 HD23 LEU A 34 -4.529 3.079 -2.124 1.00 13.31 H new ATOM 579 N ALA A 35 -6.239 3.208 2.800 1.00 13.22 N ATOM 580 CA ALA A 35 -5.710 2.375 3.909 1.00 70.13 C ATOM 581 C ALA A 35 -6.857 1.759 4.751 1.00 3.12 C ATOM 582 O ALA A 35 -6.767 0.607 5.195 1.00 64.12 O ATOM 583 CB ALA A 35 -4.773 3.211 4.803 1.00 71.22 C ATOM 0 H ALA A 35 -5.961 4.188 2.859 1.00 13.22 H new ATOM 0 HA ALA A 35 -5.142 1.554 3.472 1.00 70.13 H new ATOM 0 HB1 ALA A 35 -4.392 2.589 5.613 1.00 71.22 H new ATOM 0 HB2 ALA A 35 -3.939 3.584 4.208 1.00 71.22 H new ATOM 0 HB3 ALA A 35 -5.325 4.053 5.221 1.00 71.22 H new ATOM 589 N LYS A 36 -7.933 2.548 4.948 1.00 41.41 N ATOM 590 CA LYS A 36 -9.172 2.075 5.601 1.00 53.45 C ATOM 591 C LYS A 36 -9.863 0.989 4.737 1.00 51.21 C ATOM 592 O LYS A 36 -10.215 -0.069 5.244 1.00 55.03 O ATOM 593 CB LYS A 36 -10.150 3.257 5.850 1.00 24.01 C ATOM 594 CG LYS A 36 -11.487 2.845 6.516 1.00 50.41 C ATOM 595 CD LYS A 36 -12.487 4.013 6.640 1.00 55.53 C ATOM 596 CE LYS A 36 -13.849 3.558 7.194 1.00 53.14 C ATOM 597 NZ LYS A 36 -14.838 4.663 7.231 1.00 43.04 N ATOM 0 H LYS A 36 -7.968 3.526 4.661 1.00 41.41 H new ATOM 0 HA LYS A 36 -8.901 1.639 6.563 1.00 53.45 H new ATOM 0 HB2 LYS A 36 -9.656 3.996 6.480 1.00 24.01 H new ATOM 0 HB3 LYS A 36 -10.365 3.742 4.898 1.00 24.01 H new ATOM 0 HG2 LYS A 36 -11.944 2.044 5.935 1.00 50.41 H new ATOM 0 HG3 LYS A 36 -11.283 2.443 7.508 1.00 50.41 H new ATOM 0 HD2 LYS A 36 -12.069 4.779 7.293 1.00 55.53 H new ATOM 0 HD3 LYS A 36 -12.630 4.472 5.662 1.00 55.53 H new ATOM 0 HE2 LYS A 36 -14.237 2.747 6.578 1.00 53.14 H new ATOM 0 HE3 LYS A 36 -13.715 3.159 8.200 1.00 53.14 H new ATOM 0 HZ1 LYS A 36 -15.739 4.310 7.611 1.00 43.04 H new ATOM 0 HZ2 LYS A 36 -14.482 5.428 7.839 1.00 43.04 H new ATOM 0 HZ3 LYS A 36 -14.987 5.028 6.269 1.00 43.04 H new ATOM 611 N ASP A 37 -10.006 1.262 3.420 1.00 4.32 N ATOM 612 CA ASP A 37 -10.687 0.352 2.463 1.00 44.20 C ATOM 613 C ASP A 37 -10.008 -1.037 2.358 1.00 74.24 C ATOM 614 O ASP A 37 -10.685 -2.044 2.112 1.00 32.12 O ATOM 615 CB ASP A 37 -10.766 1.004 1.063 1.00 42.33 C ATOM 616 CG ASP A 37 -11.640 2.264 1.048 1.00 63.23 C ATOM 617 OD1 ASP A 37 -12.869 2.134 1.212 1.00 24.42 O ATOM 618 OD2 ASP A 37 -11.111 3.382 0.873 1.00 34.01 O ATOM 0 H ASP A 37 -9.654 2.117 2.989 1.00 4.32 H new ATOM 0 HA ASP A 37 -11.691 0.188 2.854 1.00 44.20 H new ATOM 0 HB2 ASP A 37 -9.761 1.260 0.728 1.00 42.33 H new ATOM 0 HB3 ASP A 37 -11.165 0.281 0.351 1.00 42.33 H new ATOM 623 N VAL A 38 -8.669 -1.084 2.519 1.00 14.25 N ATOM 624 CA VAL A 38 -7.921 -2.364 2.587 1.00 43.42 C ATOM 625 C VAL A 38 -8.374 -3.177 3.830 1.00 54.42 C ATOM 626 O VAL A 38 -8.593 -4.386 3.737 1.00 24.42 O ATOM 627 CB VAL A 38 -6.358 -2.146 2.617 1.00 43.32 C ATOM 628 CG1 VAL A 38 -5.585 -3.490 2.739 1.00 33.25 C ATOM 629 CG2 VAL A 38 -5.873 -1.354 1.373 1.00 4.54 C ATOM 0 H VAL A 38 -8.082 -0.254 2.604 1.00 14.25 H new ATOM 0 HA VAL A 38 -8.149 -2.923 1.680 1.00 43.42 H new ATOM 0 HB VAL A 38 -6.141 -1.556 3.507 1.00 43.32 H new ATOM 0 HG11 VAL A 38 -4.513 -3.293 2.756 1.00 33.25 H new ATOM 0 HG12 VAL A 38 -5.876 -3.995 3.660 1.00 33.25 H new ATOM 0 HG13 VAL A 38 -5.824 -4.126 1.886 1.00 33.25 H new ATOM 0 HG21 VAL A 38 -4.792 -1.221 1.425 1.00 4.54 H new ATOM 0 HG22 VAL A 38 -6.128 -1.906 0.468 1.00 4.54 H new ATOM 0 HG23 VAL A 38 -6.358 -0.378 1.351 1.00 4.54 H new ATOM 639 N LYS A 39 -8.557 -2.474 4.968 1.00 71.05 N ATOM 640 CA LYS A 39 -9.021 -3.074 6.247 1.00 41.00 C ATOM 641 C LYS A 39 -10.483 -3.587 6.159 1.00 21.13 C ATOM 642 O LYS A 39 -10.827 -4.581 6.808 1.00 63.45 O ATOM 643 CB LYS A 39 -8.882 -2.049 7.396 1.00 13.21 C ATOM 644 CG LYS A 39 -7.430 -1.622 7.701 1.00 54.21 C ATOM 645 CD LYS A 39 -7.360 -0.499 8.764 1.00 62.35 C ATOM 646 CE LYS A 39 -5.924 -0.162 9.187 1.00 31.10 C ATOM 647 NZ LYS A 39 -5.254 -1.315 9.850 1.00 2.45 N ATOM 0 H LYS A 39 -8.388 -1.470 5.030 1.00 71.05 H new ATOM 0 HA LYS A 39 -8.387 -3.937 6.451 1.00 41.00 H new ATOM 0 HB2 LYS A 39 -9.463 -1.161 7.146 1.00 13.21 H new ATOM 0 HB3 LYS A 39 -9.320 -2.473 8.299 1.00 13.21 H new ATOM 0 HG2 LYS A 39 -6.865 -2.486 8.051 1.00 54.21 H new ATOM 0 HG3 LYS A 39 -6.953 -1.280 6.782 1.00 54.21 H new ATOM 0 HD2 LYS A 39 -7.836 0.398 8.369 1.00 62.35 H new ATOM 0 HD3 LYS A 39 -7.930 -0.802 9.642 1.00 62.35 H new ATOM 0 HE2 LYS A 39 -5.349 0.137 8.311 1.00 31.10 H new ATOM 0 HE3 LYS A 39 -5.936 0.690 9.867 1.00 31.10 H new ATOM 0 HZ1 LYS A 39 -4.318 -1.021 10.196 1.00 2.45 H new ATOM 0 HZ2 LYS A 39 -5.833 -1.639 10.651 1.00 2.45 H new ATOM 0 HZ3 LYS A 39 -5.143 -2.091 9.167 1.00 2.45 H new ATOM 661 N ASP A 40 -11.335 -2.892 5.366 1.00 60.25 N ATOM 662 CA ASP A 40 -12.703 -3.375 5.021 1.00 63.11 C ATOM 663 C ASP A 40 -12.643 -4.777 4.364 1.00 20.21 C ATOM 664 O ASP A 40 -13.439 -5.665 4.673 1.00 34.50 O ATOM 665 CB ASP A 40 -13.417 -2.392 4.046 1.00 14.41 C ATOM 666 CG ASP A 40 -13.816 -1.043 4.667 1.00 10.20 C ATOM 667 OD1 ASP A 40 -13.001 -0.416 5.354 1.00 74.32 O ATOM 668 OD2 ASP A 40 -14.945 -0.577 4.440 1.00 12.42 O ATOM 0 H ASP A 40 -11.101 -1.991 4.950 1.00 60.25 H new ATOM 0 HA ASP A 40 -13.269 -3.432 5.951 1.00 63.11 H new ATOM 0 HB2 ASP A 40 -12.761 -2.205 3.196 1.00 14.41 H new ATOM 0 HB3 ASP A 40 -14.313 -2.876 3.656 1.00 14.41 H new ATOM 673 N GLU A 41 -11.688 -4.940 3.440 1.00 45.51 N ATOM 674 CA GLU A 41 -11.461 -6.206 2.724 1.00 31.32 C ATOM 675 C GLU A 41 -10.729 -7.258 3.593 1.00 54.03 C ATOM 676 O GLU A 41 -10.829 -8.463 3.332 1.00 22.52 O ATOM 677 CB GLU A 41 -10.742 -5.936 1.392 1.00 10.12 C ATOM 678 CG GLU A 41 -11.510 -4.970 0.459 1.00 22.11 C ATOM 679 CD GLU A 41 -12.936 -5.434 0.112 1.00 33.12 C ATOM 680 OE1 GLU A 41 -13.079 -6.427 -0.634 1.00 33.13 O ATOM 681 OE2 GLU A 41 -13.918 -4.807 0.573 1.00 12.21 O ATOM 0 H GLU A 41 -11.047 -4.196 3.165 1.00 45.51 H new ATOM 0 HA GLU A 41 -12.433 -6.646 2.500 1.00 31.32 H new ATOM 0 HB2 GLU A 41 -9.756 -5.521 1.599 1.00 10.12 H new ATOM 0 HB3 GLU A 41 -10.587 -6.882 0.874 1.00 10.12 H new ATOM 0 HG2 GLU A 41 -11.563 -3.990 0.933 1.00 22.11 H new ATOM 0 HG3 GLU A 41 -10.944 -4.847 -0.465 1.00 22.11 H new ATOM 688 N LEU A 42 -9.965 -6.793 4.608 1.00 33.12 N ATOM 689 CA LEU A 42 -9.393 -7.691 5.656 1.00 40.42 C ATOM 690 C LEU A 42 -10.516 -8.341 6.519 1.00 73.11 C ATOM 691 O LEU A 42 -10.296 -9.380 7.151 1.00 74.44 O ATOM 692 CB LEU A 42 -8.371 -6.956 6.577 1.00 23.22 C ATOM 693 CG LEU A 42 -7.129 -6.306 5.877 1.00 34.14 C ATOM 694 CD1 LEU A 42 -6.113 -5.753 6.907 1.00 44.25 C ATOM 695 CD2 LEU A 42 -6.452 -7.275 4.886 1.00 50.05 C ATOM 0 H LEU A 42 -9.727 -5.809 4.729 1.00 33.12 H new ATOM 0 HA LEU A 42 -8.855 -8.477 5.125 1.00 40.42 H new ATOM 0 HB2 LEU A 42 -8.903 -6.174 7.119 1.00 23.22 H new ATOM 0 HB3 LEU A 42 -8.009 -7.668 7.319 1.00 23.22 H new ATOM 0 HG LEU A 42 -7.501 -5.461 5.299 1.00 34.14 H new ATOM 0 HD11 LEU A 42 -5.267 -5.311 6.382 1.00 44.25 H new ATOM 0 HD12 LEU A 42 -6.595 -4.993 7.522 1.00 44.25 H new ATOM 0 HD13 LEU A 42 -5.761 -6.565 7.543 1.00 44.25 H new ATOM 0 HD21 LEU A 42 -5.596 -6.783 4.424 1.00 50.05 H new ATOM 0 HD22 LEU A 42 -6.115 -8.164 5.419 1.00 50.05 H new ATOM 0 HD23 LEU A 42 -7.165 -7.563 4.114 1.00 50.05 H new ATOM 707 N GLU A 43 -11.709 -7.701 6.551 1.00 12.41 N ATOM 708 CA GLU A 43 -12.929 -8.287 7.161 1.00 4.23 C ATOM 709 C GLU A 43 -13.503 -9.400 6.242 1.00 4.10 C ATOM 710 O GLU A 43 -13.683 -10.545 6.672 1.00 53.41 O ATOM 711 CB GLU A 43 -14.019 -7.196 7.397 1.00 60.34 C ATOM 712 CG GLU A 43 -13.564 -5.959 8.202 1.00 74.52 C ATOM 713 CD GLU A 43 -13.090 -6.278 9.630 1.00 4.34 C ATOM 714 OE1 GLU A 43 -13.944 -6.542 10.502 1.00 1.21 O ATOM 715 OE2 GLU A 43 -11.868 -6.259 9.890 1.00 75.32 O ATOM 0 H GLU A 43 -11.854 -6.771 6.158 1.00 12.41 H new ATOM 0 HA GLU A 43 -12.650 -8.714 8.124 1.00 4.23 H new ATOM 0 HB2 GLU A 43 -14.387 -6.861 6.427 1.00 60.34 H new ATOM 0 HB3 GLU A 43 -14.860 -7.655 7.916 1.00 60.34 H new ATOM 0 HG2 GLU A 43 -12.754 -5.466 7.664 1.00 74.52 H new ATOM 0 HG3 GLU A 43 -14.390 -5.249 8.255 1.00 74.52 H new ATOM 756 N ALA A 47 -8.994 -9.147 -0.459 1.00 10.13 N ATOM 757 CA ALA A 47 -7.864 -8.307 0.005 1.00 20.11 C ATOM 758 C ALA A 47 -6.662 -8.356 -0.972 1.00 74.15 C ATOM 759 O ALA A 47 -5.852 -7.426 -0.999 1.00 24.35 O ATOM 760 CB ALA A 47 -7.432 -8.732 1.414 1.00 73.30 C ATOM 0 HA ALA A 47 -8.212 -7.274 0.034 1.00 20.11 H new ATOM 0 HB1 ALA A 47 -6.601 -8.108 1.744 1.00 73.30 H new ATOM 0 HB2 ALA A 47 -8.269 -8.615 2.102 1.00 73.30 H new ATOM 0 HB3 ALA A 47 -7.118 -9.776 1.399 1.00 73.30 H new ATOM 766 N LYS A 48 -6.566 -9.443 -1.775 1.00 4.42 N ATOM 767 CA LYS A 48 -5.529 -9.585 -2.833 1.00 43.13 C ATOM 768 C LYS A 48 -5.705 -8.491 -3.916 1.00 24.42 C ATOM 769 O LYS A 48 -4.724 -7.933 -4.422 1.00 32.34 O ATOM 770 CB LYS A 48 -5.599 -11.000 -3.477 1.00 50.44 C ATOM 771 CG LYS A 48 -4.587 -11.254 -4.653 1.00 50.42 C ATOM 772 CD LYS A 48 -5.257 -11.808 -5.941 1.00 35.42 C ATOM 773 CE LYS A 48 -6.361 -10.875 -6.476 1.00 73.10 C ATOM 774 NZ LYS A 48 -6.957 -11.360 -7.738 1.00 14.20 N ATOM 0 H LYS A 48 -7.198 -10.241 -1.711 1.00 4.42 H new ATOM 0 HA LYS A 48 -4.549 -9.462 -2.372 1.00 43.13 H new ATOM 0 HB2 LYS A 48 -5.422 -11.744 -2.700 1.00 50.44 H new ATOM 0 HB3 LYS A 48 -6.611 -11.162 -3.849 1.00 50.44 H new ATOM 0 HG2 LYS A 48 -4.078 -10.320 -4.891 1.00 50.42 H new ATOM 0 HG3 LYS A 48 -3.824 -11.957 -4.319 1.00 50.42 H new ATOM 0 HD2 LYS A 48 -4.498 -11.948 -6.711 1.00 35.42 H new ATOM 0 HD3 LYS A 48 -5.684 -12.789 -5.732 1.00 35.42 H new ATOM 0 HE2 LYS A 48 -7.144 -10.777 -5.724 1.00 73.10 H new ATOM 0 HE3 LYS A 48 -5.945 -9.880 -6.635 1.00 73.10 H new ATOM 0 HZ1 LYS A 48 -7.693 -10.695 -8.052 1.00 14.20 H new ATOM 0 HZ2 LYS A 48 -6.218 -11.429 -8.467 1.00 14.20 H new ATOM 0 HZ3 LYS A 48 -7.380 -12.298 -7.584 1.00 14.20 H new ATOM 788 N ASN A 49 -6.979 -8.210 -4.248 1.00 35.33 N ATOM 789 CA ASN A 49 -7.382 -7.091 -5.126 1.00 61.12 C ATOM 790 C ASN A 49 -6.831 -5.748 -4.603 1.00 70.00 C ATOM 791 O ASN A 49 -6.365 -4.921 -5.377 1.00 11.53 O ATOM 792 CB ASN A 49 -8.936 -7.048 -5.244 1.00 40.33 C ATOM 793 CG ASN A 49 -9.491 -5.727 -5.813 1.00 50.22 C ATOM 794 OD1 ASN A 49 -9.581 -5.536 -7.021 1.00 11.24 O ATOM 795 ND2 ASN A 49 -9.864 -4.805 -4.941 1.00 22.31 N ATOM 0 H ASN A 49 -7.769 -8.760 -3.910 1.00 35.33 H new ATOM 0 HA ASN A 49 -6.958 -7.254 -6.117 1.00 61.12 H new ATOM 0 HB2 ASN A 49 -9.264 -7.870 -5.880 1.00 40.33 H new ATOM 0 HB3 ASN A 49 -9.369 -7.216 -4.258 1.00 40.33 H new ATOM 0 HD21 ASN A 49 -10.235 -3.913 -5.269 1.00 22.31 H new ATOM 0 HD22 ASN A 49 -9.780 -4.986 -3.941 1.00 22.31 H new ATOM 802 N MET A 50 -6.886 -5.573 -3.279 1.00 23.41 N ATOM 803 CA MET A 50 -6.426 -4.348 -2.599 1.00 44.33 C ATOM 804 C MET A 50 -4.899 -4.202 -2.632 1.00 53.24 C ATOM 805 O MET A 50 -4.404 -3.092 -2.586 1.00 60.13 O ATOM 806 CB MET A 50 -6.934 -4.320 -1.149 1.00 22.44 C ATOM 807 CG MET A 50 -8.438 -4.509 -1.046 1.00 52.23 C ATOM 808 SD MET A 50 -9.374 -3.306 -2.015 1.00 72.54 S ATOM 809 CE MET A 50 -9.053 -1.796 -1.104 1.00 11.40 C ATOM 0 H MET A 50 -7.253 -6.279 -2.641 1.00 23.41 H new ATOM 0 HA MET A 50 -6.843 -3.501 -3.144 1.00 44.33 H new ATOM 0 HB2 MET A 50 -6.435 -5.103 -0.579 1.00 22.44 H new ATOM 0 HB3 MET A 50 -6.660 -3.369 -0.692 1.00 22.44 H new ATOM 0 HG2 MET A 50 -8.695 -5.514 -1.380 1.00 52.23 H new ATOM 0 HG3 MET A 50 -8.736 -4.435 -0.000 1.00 52.23 H new ATOM 0 HE1 MET A 50 -9.977 -1.446 -0.643 1.00 11.40 H new ATOM 0 HE2 MET A 50 -8.311 -1.989 -0.329 1.00 11.40 H new ATOM 0 HE3 MET A 50 -8.675 -1.033 -1.785 1.00 11.40 H new ATOM 819 N ILE A 51 -4.163 -5.328 -2.685 1.00 41.14 N ATOM 820 CA ILE A 51 -2.692 -5.297 -2.860 1.00 62.15 C ATOM 821 C ILE A 51 -2.350 -4.716 -4.264 1.00 61.42 C ATOM 822 O ILE A 51 -1.445 -3.892 -4.407 1.00 61.41 O ATOM 823 CB ILE A 51 -2.032 -6.725 -2.715 1.00 41.12 C ATOM 824 CG1 ILE A 51 -2.595 -7.502 -1.488 1.00 44.11 C ATOM 825 CG2 ILE A 51 -0.488 -6.608 -2.613 1.00 2.41 C ATOM 826 CD1 ILE A 51 -2.116 -8.941 -1.377 1.00 33.21 C ATOM 0 H ILE A 51 -4.556 -6.266 -2.610 1.00 41.14 H new ATOM 0 HA ILE A 51 -2.286 -4.666 -2.069 1.00 62.15 H new ATOM 0 HB ILE A 51 -2.286 -7.291 -3.612 1.00 41.12 H new ATOM 0 HG12 ILE A 51 -2.318 -6.969 -0.578 1.00 44.11 H new ATOM 0 HG13 ILE A 51 -3.684 -7.498 -1.540 1.00 44.11 H new ATOM 0 HG21 ILE A 51 -0.054 -7.603 -2.514 1.00 2.41 H new ATOM 0 HG22 ILE A 51 -0.099 -6.130 -3.512 1.00 2.41 H new ATOM 0 HG23 ILE A 51 -0.225 -6.009 -1.741 1.00 2.41 H new ATOM 0 HD11 ILE A 51 -2.558 -9.404 -0.495 1.00 33.21 H new ATOM 0 HD12 ILE A 51 -2.417 -9.494 -2.267 1.00 33.21 H new ATOM 0 HD13 ILE A 51 -1.030 -8.957 -1.290 1.00 33.21 H new ATOM 838 N GLU A 52 -3.120 -5.156 -5.281 1.00 14.31 N ATOM 839 CA GLU A 52 -2.997 -4.670 -6.679 1.00 24.14 C ATOM 840 C GLU A 52 -3.391 -3.176 -6.804 1.00 25.44 C ATOM 841 O GLU A 52 -2.676 -2.386 -7.424 1.00 35.22 O ATOM 842 CB GLU A 52 -3.901 -5.510 -7.623 1.00 13.24 C ATOM 843 CG GLU A 52 -3.676 -7.030 -7.562 1.00 51.15 C ATOM 844 CD GLU A 52 -4.581 -7.815 -8.523 1.00 44.44 C ATOM 845 OE1 GLU A 52 -5.757 -8.066 -8.176 1.00 20.23 O ATOM 846 OE2 GLU A 52 -4.125 -8.172 -9.628 1.00 24.21 O ATOM 0 H GLU A 52 -3.848 -5.860 -5.160 1.00 14.31 H new ATOM 0 HA GLU A 52 -1.951 -4.779 -6.967 1.00 24.14 H new ATOM 0 HB2 GLU A 52 -4.943 -5.303 -7.381 1.00 13.24 H new ATOM 0 HB3 GLU A 52 -3.739 -5.176 -8.648 1.00 13.24 H new ATOM 0 HG2 GLU A 52 -2.634 -7.246 -7.797 1.00 51.15 H new ATOM 0 HG3 GLU A 52 -3.852 -7.376 -6.543 1.00 51.15 H new ATOM 853 N LYS A 53 -4.538 -2.817 -6.192 1.00 33.34 N ATOM 854 CA LYS A 53 -5.134 -1.456 -6.286 1.00 3.41 C ATOM 855 C LYS A 53 -4.322 -0.412 -5.494 1.00 61.52 C ATOM 856 O LYS A 53 -4.179 0.733 -5.928 1.00 72.41 O ATOM 857 CB LYS A 53 -6.612 -1.461 -5.792 1.00 5.04 C ATOM 858 CG LYS A 53 -7.595 -2.248 -6.690 1.00 24.04 C ATOM 859 CD LYS A 53 -7.691 -1.667 -8.125 1.00 44.22 C ATOM 860 CE LYS A 53 -8.700 -2.422 -9.011 1.00 12.34 C ATOM 861 NZ LYS A 53 -10.085 -2.343 -8.479 1.00 65.21 N ATOM 0 H LYS A 53 -5.083 -3.459 -5.616 1.00 33.34 H new ATOM 0 HA LYS A 53 -5.109 -1.173 -7.338 1.00 3.41 H new ATOM 0 HB2 LYS A 53 -6.643 -1.883 -4.787 1.00 5.04 H new ATOM 0 HB3 LYS A 53 -6.958 -0.430 -5.716 1.00 5.04 H new ATOM 0 HG2 LYS A 53 -7.277 -3.289 -6.744 1.00 24.04 H new ATOM 0 HG3 LYS A 53 -8.584 -2.240 -6.232 1.00 24.04 H new ATOM 0 HD2 LYS A 53 -7.979 -0.617 -8.068 1.00 44.22 H new ATOM 0 HD3 LYS A 53 -6.707 -1.702 -8.592 1.00 44.22 H new ATOM 0 HE2 LYS A 53 -8.676 -2.008 -10.019 1.00 12.34 H new ATOM 0 HE3 LYS A 53 -8.402 -3.468 -9.088 1.00 12.34 H new ATOM 0 HZ1 LYS A 53 -10.747 -2.746 -9.173 1.00 65.21 H new ATOM 0 HZ2 LYS A 53 -10.146 -2.879 -7.590 1.00 65.21 H new ATOM 0 HZ3 LYS A 53 -10.333 -1.349 -8.302 1.00 65.21 H new ATOM 875 N PHE A 54 -3.813 -0.824 -4.324 1.00 45.51 N ATOM 876 CA PHE A 54 -2.970 0.033 -3.470 1.00 74.33 C ATOM 877 C PHE A 54 -1.568 0.208 -4.104 1.00 5.20 C ATOM 878 O PHE A 54 -0.971 1.279 -3.989 1.00 31.43 O ATOM 879 CB PHE A 54 -2.871 -0.549 -2.032 1.00 62.13 C ATOM 880 CG PHE A 54 -2.177 0.376 -1.023 1.00 2.15 C ATOM 881 CD1 PHE A 54 -2.890 1.369 -0.348 1.00 1.40 C ATOM 882 CD2 PHE A 54 -0.809 0.277 -0.786 1.00 4.23 C ATOM 883 CE1 PHE A 54 -2.254 2.227 0.529 1.00 60.14 C ATOM 884 CE2 PHE A 54 -0.175 1.138 0.077 1.00 74.44 C ATOM 885 CZ PHE A 54 -0.896 2.112 0.738 1.00 21.24 C ATOM 0 H PHE A 54 -3.972 -1.756 -3.942 1.00 45.51 H new ATOM 0 HA PHE A 54 -3.434 1.017 -3.396 1.00 74.33 H new ATOM 0 HB2 PHE A 54 -3.876 -0.771 -1.672 1.00 62.13 H new ATOM 0 HB3 PHE A 54 -2.331 -1.495 -2.072 1.00 62.13 H new ATOM 0 HD1 PHE A 54 -3.953 1.468 -0.514 1.00 1.40 H new ATOM 0 HD2 PHE A 54 -0.237 -0.489 -1.288 1.00 4.23 H new ATOM 0 HE1 PHE A 54 -2.819 2.986 1.049 1.00 60.14 H new ATOM 0 HE2 PHE A 54 0.889 1.053 0.238 1.00 74.44 H new ATOM 0 HZ PHE A 54 -0.396 2.784 1.419 1.00 21.24 H new ATOM 895 N ARG A 55 -1.061 -0.854 -4.775 1.00 32.32 N ATOM 896 CA ARG A 55 0.205 -0.787 -5.551 1.00 62.52 C ATOM 897 C ARG A 55 0.061 0.188 -6.739 1.00 70.11 C ATOM 898 O ARG A 55 0.971 0.941 -7.030 1.00 20.52 O ATOM 899 CB ARG A 55 0.608 -2.188 -6.105 1.00 34.41 C ATOM 900 CG ARG A 55 2.006 -2.257 -6.823 1.00 50.51 C ATOM 901 CD ARG A 55 1.950 -2.847 -8.256 1.00 45.33 C ATOM 902 NE ARG A 55 1.331 -1.922 -9.237 1.00 52.51 N ATOM 903 CZ ARG A 55 0.223 -2.138 -9.926 1.00 24.51 C ATOM 904 NH1 ARG A 55 -0.551 -3.148 -9.673 1.00 63.01 N ATOM 905 NH2 ARG A 55 -0.121 -1.293 -10.843 1.00 13.12 N ATOM 0 H ARG A 55 -1.509 -1.770 -4.795 1.00 32.32 H new ATOM 0 HA ARG A 55 0.980 -0.435 -4.870 1.00 62.52 H new ATOM 0 HB2 ARG A 55 0.608 -2.899 -5.279 1.00 34.41 H new ATOM 0 HB3 ARG A 55 -0.158 -2.515 -6.808 1.00 34.41 H new ATOM 0 HG2 ARG A 55 2.429 -1.253 -6.871 1.00 50.51 H new ATOM 0 HG3 ARG A 55 2.684 -2.860 -6.219 1.00 50.51 H new ATOM 0 HD2 ARG A 55 2.961 -3.092 -8.583 1.00 45.33 H new ATOM 0 HD3 ARG A 55 1.386 -3.780 -8.238 1.00 45.33 H new ATOM 0 HE ARG A 55 1.806 -1.033 -9.395 1.00 52.51 H new ATOM 0 HH11 ARG A 55 -0.311 -3.800 -8.926 1.00 63.01 H new ATOM 0 HH12 ARG A 55 -1.400 -3.290 -10.221 1.00 63.01 H new ATOM 0 HH21 ARG A 55 0.459 -0.474 -11.026 1.00 13.12 H new ATOM 0 HH22 ARG A 55 -0.973 -1.445 -11.383 1.00 13.12 H new ATOM 919 N ASP A 56 -1.103 0.124 -7.412 1.00 40.12 N ATOM 920 CA ASP A 56 -1.426 0.945 -8.602 1.00 33.42 C ATOM 921 C ASP A 56 -1.569 2.440 -8.230 1.00 41.33 C ATOM 922 O ASP A 56 -1.098 3.328 -8.952 1.00 54.11 O ATOM 923 CB ASP A 56 -2.734 0.408 -9.249 1.00 61.51 C ATOM 924 CG ASP A 56 -3.069 1.071 -10.596 1.00 22.53 C ATOM 925 OD1 ASP A 56 -2.592 0.582 -11.640 1.00 64.25 O ATOM 926 OD2 ASP A 56 -3.808 2.081 -10.615 1.00 22.23 O ATOM 0 H ASP A 56 -1.858 -0.507 -7.144 1.00 40.12 H new ATOM 0 HA ASP A 56 -0.609 0.869 -9.319 1.00 33.42 H new ATOM 0 HB2 ASP A 56 -2.642 -0.668 -9.396 1.00 61.51 H new ATOM 0 HB3 ASP A 56 -3.563 0.566 -8.559 1.00 61.51 H new ATOM 931 N GLU A 57 -2.231 2.695 -7.094 1.00 13.24 N ATOM 932 CA GLU A 57 -2.415 4.054 -6.546 1.00 25.33 C ATOM 933 C GLU A 57 -1.063 4.648 -6.088 1.00 53.14 C ATOM 934 O GLU A 57 -0.720 5.783 -6.437 1.00 53.03 O ATOM 935 CB GLU A 57 -3.432 4.006 -5.373 1.00 61.35 C ATOM 936 CG GLU A 57 -3.806 5.379 -4.772 1.00 61.21 C ATOM 937 CD GLU A 57 -4.422 6.354 -5.794 1.00 14.21 C ATOM 938 OE1 GLU A 57 -5.517 6.048 -6.324 1.00 21.43 O ATOM 939 OE2 GLU A 57 -3.848 7.437 -6.042 1.00 72.10 O ATOM 0 H GLU A 57 -2.657 1.965 -6.524 1.00 13.24 H new ATOM 0 HA GLU A 57 -2.810 4.704 -7.326 1.00 25.33 H new ATOM 0 HB2 GLU A 57 -4.343 3.520 -5.722 1.00 61.35 H new ATOM 0 HB3 GLU A 57 -3.020 3.380 -4.581 1.00 61.35 H new ATOM 0 HG2 GLU A 57 -4.512 5.228 -3.955 1.00 61.21 H new ATOM 0 HG3 GLU A 57 -2.913 5.833 -4.342 1.00 61.21 H new ATOM 946 N MET A 58 -0.306 3.855 -5.301 1.00 32.22 N ATOM 947 CA MET A 58 1.076 4.190 -4.893 1.00 0.45 C ATOM 948 C MET A 58 2.019 4.393 -6.100 1.00 52.14 C ATOM 949 O MET A 58 2.905 5.234 -6.039 1.00 64.32 O ATOM 950 CB MET A 58 1.673 3.104 -3.953 1.00 63.43 C ATOM 951 CG MET A 58 1.489 3.342 -2.447 1.00 52.54 C ATOM 952 SD MET A 58 2.917 2.743 -1.514 1.00 43.11 S ATOM 953 CE MET A 58 4.234 3.753 -2.208 1.00 3.23 C ATOM 0 H MET A 58 -0.635 2.964 -4.930 1.00 32.22 H new ATOM 0 HA MET A 58 1.005 5.135 -4.354 1.00 0.45 H new ATOM 0 HB2 MET A 58 1.222 2.145 -4.207 1.00 63.43 H new ATOM 0 HB3 MET A 58 2.740 3.020 -4.160 1.00 63.43 H new ATOM 0 HG2 MET A 58 1.348 4.406 -2.258 1.00 52.54 H new ATOM 0 HG3 MET A 58 0.587 2.835 -2.103 1.00 52.54 H new ATOM 0 HE1 MET A 58 4.960 3.111 -2.708 1.00 3.23 H new ATOM 0 HE2 MET A 58 3.813 4.455 -2.928 1.00 3.23 H new ATOM 0 HE3 MET A 58 4.728 4.306 -1.409 1.00 3.23 H new ATOM 963 N GLU A 59 1.833 3.588 -7.160 1.00 54.21 N ATOM 964 CA GLU A 59 2.633 3.671 -8.403 1.00 11.21 C ATOM 965 C GLU A 59 2.476 5.066 -9.040 1.00 35.15 C ATOM 966 O GLU A 59 3.461 5.719 -9.366 1.00 35.00 O ATOM 967 CB GLU A 59 2.183 2.564 -9.395 1.00 33.14 C ATOM 968 CG GLU A 59 3.042 2.403 -10.666 1.00 42.25 C ATOM 969 CD GLU A 59 2.416 1.416 -11.670 1.00 40.01 C ATOM 970 OE1 GLU A 59 2.398 0.195 -11.385 1.00 23.54 O ATOM 971 OE2 GLU A 59 1.901 1.858 -12.724 1.00 1.34 O ATOM 0 H GLU A 59 1.122 2.857 -7.183 1.00 54.21 H new ATOM 0 HA GLU A 59 3.685 3.517 -8.163 1.00 11.21 H new ATOM 0 HB2 GLU A 59 2.173 1.612 -8.865 1.00 33.14 H new ATOM 0 HB3 GLU A 59 1.157 2.771 -9.698 1.00 33.14 H new ATOM 0 HG2 GLU A 59 3.167 3.375 -11.144 1.00 42.25 H new ATOM 0 HG3 GLU A 59 4.037 2.054 -10.388 1.00 42.25 H new ATOM 978 N GLN A 60 1.212 5.503 -9.162 1.00 71.31 N ATOM 979 CA GLN A 60 0.839 6.853 -9.643 1.00 34.13 C ATOM 980 C GLN A 60 1.505 7.976 -8.803 1.00 2.10 C ATOM 981 O GLN A 60 2.218 8.823 -9.346 1.00 64.23 O ATOM 982 CB GLN A 60 -0.710 6.988 -9.609 1.00 2.42 C ATOM 983 CG GLN A 60 -1.257 8.407 -9.878 1.00 50.42 C ATOM 984 CD GLN A 60 -2.785 8.478 -9.833 1.00 25.12 C ATOM 985 OE1 GLN A 60 -3.457 8.351 -10.847 1.00 61.31 O ATOM 986 NE2 GLN A 60 -3.347 8.641 -8.651 1.00 52.42 N ATOM 0 H GLN A 60 0.406 4.924 -8.927 1.00 71.31 H new ATOM 0 HA GLN A 60 1.202 6.970 -10.664 1.00 34.13 H new ATOM 0 HB2 GLN A 60 -1.133 6.308 -10.348 1.00 2.42 H new ATOM 0 HB3 GLN A 60 -1.065 6.659 -8.632 1.00 2.42 H new ATOM 0 HG2 GLN A 60 -0.845 9.095 -9.140 1.00 50.42 H new ATOM 0 HG3 GLN A 60 -0.912 8.744 -10.855 1.00 50.42 H new ATOM 0 HE21 GLN A 60 -2.765 8.745 -7.820 1.00 52.42 H new ATOM 0 HE22 GLN A 60 -4.363 8.663 -8.568 1.00 52.42 H new ATOM 995 N MET A 61 1.294 7.934 -7.472 1.00 71.31 N ATOM 996 CA MET A 61 1.803 8.965 -6.530 1.00 73.10 C ATOM 997 C MET A 61 3.352 8.948 -6.404 1.00 40.22 C ATOM 998 O MET A 61 3.961 9.947 -6.001 1.00 35.25 O ATOM 999 CB MET A 61 1.141 8.786 -5.142 1.00 23.23 C ATOM 1000 CG MET A 61 -0.390 8.947 -5.137 1.00 20.11 C ATOM 1001 SD MET A 61 -1.112 8.654 -3.504 1.00 51.41 S ATOM 1002 CE MET A 61 -0.654 6.945 -3.205 1.00 13.52 C ATOM 0 H MET A 61 0.768 7.189 -7.016 1.00 71.31 H new ATOM 0 HA MET A 61 1.534 9.939 -6.938 1.00 73.10 H new ATOM 0 HB2 MET A 61 1.390 7.796 -4.760 1.00 23.23 H new ATOM 0 HB3 MET A 61 1.572 9.512 -4.452 1.00 23.23 H new ATOM 0 HG2 MET A 61 -0.647 9.953 -5.469 1.00 20.11 H new ATOM 0 HG3 MET A 61 -0.828 8.252 -5.854 1.00 20.11 H new ATOM 0 HE1 MET A 61 -1.465 6.437 -2.683 1.00 13.52 H new ATOM 0 HE2 MET A 61 -0.467 6.447 -4.156 1.00 13.52 H new ATOM 0 HE3 MET A 61 0.248 6.912 -2.594 1.00 13.52 H new ATOM 1012 N TYR A 62 3.962 7.795 -6.731 1.00 23.30 N ATOM 1013 CA TYR A 62 5.428 7.644 -6.841 1.00 22.31 C ATOM 1014 C TYR A 62 5.953 8.357 -8.111 1.00 75.42 C ATOM 1015 O TYR A 62 7.022 8.963 -8.094 1.00 11.35 O ATOM 1016 CB TYR A 62 5.808 6.130 -6.847 1.00 44.42 C ATOM 1017 CG TYR A 62 7.284 5.840 -7.179 1.00 3.44 C ATOM 1018 CD1 TYR A 62 8.295 6.101 -6.253 1.00 23.41 C ATOM 1019 CD2 TYR A 62 7.662 5.335 -8.432 1.00 53.43 C ATOM 1020 CE1 TYR A 62 9.621 5.871 -6.563 1.00 54.30 C ATOM 1021 CE2 TYR A 62 8.987 5.099 -8.737 1.00 40.25 C ATOM 1022 CZ TYR A 62 9.958 5.374 -7.803 1.00 24.22 C ATOM 1023 OH TYR A 62 11.276 5.148 -8.111 1.00 23.34 O ATOM 0 H TYR A 62 3.450 6.935 -6.928 1.00 23.30 H new ATOM 0 HA TYR A 62 5.900 8.113 -5.977 1.00 22.31 H new ATOM 0 HB2 TYR A 62 5.580 5.708 -5.868 1.00 44.42 H new ATOM 0 HB3 TYR A 62 5.178 5.614 -7.572 1.00 44.42 H new ATOM 0 HD1 TYR A 62 8.036 6.489 -5.279 1.00 23.41 H new ATOM 0 HD2 TYR A 62 6.902 5.127 -9.171 1.00 53.43 H new ATOM 0 HE1 TYR A 62 10.391 6.080 -5.836 1.00 54.30 H new ATOM 0 HE2 TYR A 62 9.260 4.701 -9.703 1.00 40.25 H new ATOM 0 HH TYR A 62 11.660 4.520 -7.464 1.00 23.34 H new ATOM 1033 N LYS A 63 5.196 8.262 -9.216 1.00 22.20 N ATOM 1034 CA LYS A 63 5.542 8.957 -10.482 1.00 40.32 C ATOM 1035 C LYS A 63 5.331 10.489 -10.367 1.00 30.21 C ATOM 1036 O LYS A 63 5.969 11.265 -11.091 1.00 44.22 O ATOM 1037 CB LYS A 63 4.718 8.394 -11.669 1.00 24.34 C ATOM 1038 CG LYS A 63 4.853 6.872 -11.893 1.00 25.03 C ATOM 1039 CD LYS A 63 6.301 6.403 -12.168 1.00 73.35 C ATOM 1040 CE LYS A 63 6.404 4.871 -12.288 1.00 12.21 C ATOM 1041 NZ LYS A 63 7.783 4.432 -12.632 1.00 74.15 N ATOM 0 H LYS A 63 4.338 7.712 -9.266 1.00 22.20 H new ATOM 0 HA LYS A 63 6.599 8.773 -10.671 1.00 40.32 H new ATOM 0 HB2 LYS A 63 3.666 8.630 -11.506 1.00 24.34 H new ATOM 0 HB3 LYS A 63 5.023 8.909 -12.580 1.00 24.34 H new ATOM 0 HG2 LYS A 63 4.474 6.351 -11.014 1.00 25.03 H new ATOM 0 HG3 LYS A 63 4.222 6.581 -12.733 1.00 25.03 H new ATOM 0 HD2 LYS A 63 6.661 6.863 -13.088 1.00 73.35 H new ATOM 0 HD3 LYS A 63 6.951 6.747 -11.364 1.00 73.35 H new ATOM 0 HE2 LYS A 63 6.101 4.412 -11.347 1.00 12.21 H new ATOM 0 HE3 LYS A 63 5.710 4.519 -13.052 1.00 12.21 H new ATOM 0 HZ1 LYS A 63 7.809 3.395 -12.703 1.00 74.15 H new ATOM 0 HZ2 LYS A 63 8.063 4.849 -13.543 1.00 74.15 H new ATOM 0 HZ3 LYS A 63 8.442 4.745 -11.891 1.00 74.15 H new ATOM 1055 N ASP A 64 4.403 10.907 -9.481 1.00 23.11 N ATOM 1056 CA ASP A 64 4.176 12.337 -9.165 1.00 71.50 C ATOM 1057 C ASP A 64 5.336 12.895 -8.299 1.00 44.44 C ATOM 1058 O ASP A 64 5.982 13.883 -8.670 1.00 72.13 O ATOM 1059 CB ASP A 64 2.810 12.527 -8.446 1.00 12.13 C ATOM 1060 CG ASP A 64 1.599 12.059 -9.285 1.00 71.32 C ATOM 1061 OD1 ASP A 64 1.537 12.378 -10.492 1.00 44.12 O ATOM 1062 OD2 ASP A 64 0.701 11.384 -8.741 1.00 70.42 O ATOM 0 H ASP A 64 3.794 10.271 -8.967 1.00 23.11 H new ATOM 0 HA ASP A 64 4.150 12.897 -10.100 1.00 71.50 H new ATOM 0 HB2 ASP A 64 2.824 11.976 -7.505 1.00 12.13 H new ATOM 0 HB3 ASP A 64 2.683 13.581 -8.197 1.00 12.13 H new ATOM 1067 N ALA A 65 5.603 12.232 -7.154 1.00 71.15 N ATOM 1068 CA ALA A 65 6.688 12.610 -6.219 1.00 24.40 C ATOM 1069 C ALA A 65 7.484 11.349 -5.751 1.00 44.41 C ATOM 1070 O ALA A 65 7.082 10.682 -4.791 1.00 51.25 O ATOM 1071 CB ALA A 65 6.106 13.389 -5.014 1.00 32.44 C ATOM 0 H ALA A 65 5.071 11.417 -6.850 1.00 71.15 H new ATOM 0 HA ALA A 65 7.388 13.263 -6.741 1.00 24.40 H new ATOM 0 HB1 ALA A 65 6.912 13.662 -4.333 1.00 32.44 H new ATOM 0 HB2 ALA A 65 5.610 14.292 -5.370 1.00 32.44 H new ATOM 0 HB3 ALA A 65 5.385 12.762 -4.489 1.00 32.44 H new ATOM 1077 N PRO A 66 8.602 10.972 -6.467 1.00 3.44 N ATOM 1078 CA PRO A 66 9.485 9.844 -6.060 1.00 4.12 C ATOM 1079 C PRO A 66 10.471 10.241 -4.918 1.00 30.43 C ATOM 1080 O PRO A 66 11.684 10.384 -5.129 1.00 21.21 O ATOM 1081 CB PRO A 66 10.213 9.493 -7.387 1.00 63.23 C ATOM 1082 CG PRO A 66 10.307 10.798 -8.123 1.00 74.23 C ATOM 1083 CD PRO A 66 9.061 11.586 -7.749 1.00 22.03 C ATOM 0 HA PRO A 66 8.940 9.001 -5.636 1.00 4.12 H new ATOM 0 HB2 PRO A 66 11.201 9.072 -7.198 1.00 63.23 H new ATOM 0 HB3 PRO A 66 9.656 8.753 -7.961 1.00 63.23 H new ATOM 0 HG2 PRO A 66 11.210 11.340 -7.841 1.00 74.23 H new ATOM 0 HG3 PRO A 66 10.356 10.635 -9.200 1.00 74.23 H new ATOM 0 HD2 PRO A 66 9.284 12.646 -7.624 1.00 22.03 H new ATOM 0 HD3 PRO A 66 8.296 11.510 -8.522 1.00 22.03 H new ATOM 1091 N ASN A 67 9.923 10.403 -3.696 1.00 63.54 N ATOM 1092 CA ASN A 67 10.685 10.884 -2.515 1.00 34.23 C ATOM 1093 C ASN A 67 11.395 9.725 -1.744 1.00 72.30 C ATOM 1094 O ASN A 67 11.139 9.505 -0.558 1.00 64.44 O ATOM 1095 CB ASN A 67 9.761 11.737 -1.572 1.00 23.42 C ATOM 1096 CG ASN A 67 8.497 11.008 -1.072 1.00 21.01 C ATOM 1097 OD1 ASN A 67 7.852 10.277 -1.798 1.00 2.43 O ATOM 1098 ND2 ASN A 67 8.147 11.189 0.187 1.00 40.33 N ATOM 0 H ASN A 67 8.942 10.206 -3.496 1.00 63.54 H new ATOM 0 HA ASN A 67 11.483 11.529 -2.883 1.00 34.23 H new ATOM 0 HB2 ASN A 67 10.344 12.057 -0.708 1.00 23.42 H new ATOM 0 HB3 ASN A 67 9.457 12.639 -2.104 1.00 23.42 H new ATOM 0 HD21 ASN A 67 7.327 10.713 0.562 1.00 40.33 H new ATOM 0 HD22 ASN A 67 8.697 11.805 0.786 1.00 40.33 H new ATOM 1105 N ALA A 68 12.295 9.001 -2.456 1.00 45.32 N ATOM 1106 CA ALA A 68 13.203 7.955 -1.886 1.00 35.41 C ATOM 1107 C ALA A 68 12.463 6.771 -1.205 1.00 24.42 C ATOM 1108 O ALA A 68 12.346 5.688 -1.796 1.00 34.20 O ATOM 1109 CB ALA A 68 14.249 8.591 -0.949 1.00 4.51 C ATOM 0 H ALA A 68 12.418 9.125 -3.461 1.00 45.32 H new ATOM 0 HA ALA A 68 13.719 7.509 -2.736 1.00 35.41 H new ATOM 0 HB1 ALA A 68 14.898 7.813 -0.546 1.00 4.51 H new ATOM 0 HB2 ALA A 68 14.848 9.310 -1.507 1.00 4.51 H new ATOM 0 HB3 ALA A 68 13.742 9.100 -0.130 1.00 4.51 H new ATOM 1115 N VAL A 69 11.973 6.992 0.040 1.00 15.12 N ATOM 1116 CA VAL A 69 11.227 5.982 0.825 1.00 45.42 C ATOM 1117 C VAL A 69 10.009 5.420 0.045 1.00 52.12 C ATOM 1118 O VAL A 69 9.699 4.244 0.154 1.00 44.10 O ATOM 1119 CB VAL A 69 10.764 6.578 2.217 1.00 3.33 C ATOM 1120 CG1 VAL A 69 9.806 7.787 2.045 1.00 23.41 C ATOM 1121 CG2 VAL A 69 10.131 5.492 3.126 1.00 20.22 C ATOM 0 H VAL A 69 12.086 7.880 0.528 1.00 15.12 H new ATOM 0 HA VAL A 69 11.910 5.153 1.008 1.00 45.42 H new ATOM 0 HB VAL A 69 11.663 6.943 2.713 1.00 3.33 H new ATOM 0 HG11 VAL A 69 9.515 8.163 3.026 1.00 23.41 H new ATOM 0 HG12 VAL A 69 10.312 8.576 1.490 1.00 23.41 H new ATOM 0 HG13 VAL A 69 8.917 7.472 1.498 1.00 23.41 H new ATOM 0 HG21 VAL A 69 9.827 5.941 4.071 1.00 20.22 H new ATOM 0 HG22 VAL A 69 9.260 5.065 2.630 1.00 20.22 H new ATOM 0 HG23 VAL A 69 10.862 4.706 3.316 1.00 20.22 H new ATOM 1131 N MET A 70 9.387 6.274 -0.797 1.00 55.23 N ATOM 1132 CA MET A 70 8.201 5.924 -1.621 1.00 53.22 C ATOM 1133 C MET A 70 8.462 4.692 -2.549 1.00 31.22 C ATOM 1134 O MET A 70 7.545 3.921 -2.848 1.00 51.51 O ATOM 1135 CB MET A 70 7.788 7.167 -2.453 1.00 23.22 C ATOM 1136 CG MET A 70 6.349 7.158 -2.989 1.00 74.33 C ATOM 1137 SD MET A 70 5.120 7.240 -1.661 1.00 61.22 S ATOM 1138 CE MET A 70 3.588 7.459 -2.574 1.00 5.43 C ATOM 0 H MET A 70 9.695 7.238 -0.928 1.00 55.23 H new ATOM 0 HA MET A 70 7.389 5.635 -0.953 1.00 53.22 H new ATOM 0 HB2 MET A 70 7.921 8.056 -1.836 1.00 23.22 H new ATOM 0 HB3 MET A 70 8.471 7.260 -3.298 1.00 23.22 H new ATOM 0 HG2 MET A 70 6.209 8.003 -3.663 1.00 74.33 H new ATOM 0 HG3 MET A 70 6.188 6.253 -3.575 1.00 74.33 H new ATOM 0 HE1 MET A 70 2.741 7.311 -1.904 1.00 5.43 H new ATOM 0 HE2 MET A 70 3.552 8.467 -2.988 1.00 5.43 H new ATOM 0 HE3 MET A 70 3.540 6.732 -3.385 1.00 5.43 H new ATOM 1148 N GLU A 71 9.732 4.518 -2.982 1.00 72.21 N ATOM 1149 CA GLU A 71 10.160 3.349 -3.794 1.00 33.12 C ATOM 1150 C GLU A 71 10.280 2.072 -2.927 1.00 34.55 C ATOM 1151 O GLU A 71 9.902 0.981 -3.363 1.00 52.23 O ATOM 1152 CB GLU A 71 11.519 3.630 -4.485 1.00 55.03 C ATOM 1153 CG GLU A 71 11.975 2.527 -5.474 1.00 43.14 C ATOM 1154 CD GLU A 71 13.377 2.769 -6.061 1.00 53.22 C ATOM 1155 OE1 GLU A 71 13.494 3.487 -7.075 1.00 32.12 O ATOM 1156 OE2 GLU A 71 14.369 2.266 -5.494 1.00 62.33 O ATOM 0 H GLU A 71 10.485 5.176 -2.782 1.00 72.21 H new ATOM 0 HA GLU A 71 9.395 3.185 -4.553 1.00 33.12 H new ATOM 0 HB2 GLU A 71 11.451 4.576 -5.021 1.00 55.03 H new ATOM 0 HB3 GLU A 71 12.284 3.752 -3.718 1.00 55.03 H new ATOM 0 HG2 GLU A 71 11.965 1.565 -4.962 1.00 43.14 H new ATOM 0 HG3 GLU A 71 11.255 2.461 -6.290 1.00 43.14 H new ATOM 1163 N GLN A 72 10.825 2.235 -1.703 1.00 72.24 N ATOM 1164 CA GLN A 72 10.961 1.136 -0.710 1.00 25.03 C ATOM 1165 C GLN A 72 9.555 0.595 -0.340 1.00 64.04 C ATOM 1166 O GLN A 72 9.347 -0.606 -0.226 1.00 32.22 O ATOM 1167 CB GLN A 72 11.714 1.655 0.571 1.00 74.25 C ATOM 1168 CG GLN A 72 12.566 0.619 1.349 1.00 21.44 C ATOM 1169 CD GLN A 72 11.812 -0.635 1.826 1.00 32.31 C ATOM 1170 OE1 GLN A 72 11.768 -1.646 1.137 1.00 51.15 O ATOM 1171 NE2 GLN A 72 11.215 -0.586 2.999 1.00 22.25 N ATOM 0 H GLN A 72 11.184 3.130 -1.371 1.00 72.24 H new ATOM 0 HA GLN A 72 11.546 0.325 -1.144 1.00 25.03 H new ATOM 0 HB2 GLN A 72 12.366 2.476 0.272 1.00 74.25 H new ATOM 0 HB3 GLN A 72 10.974 2.069 1.256 1.00 74.25 H new ATOM 0 HG2 GLN A 72 13.393 0.304 0.713 1.00 21.44 H new ATOM 0 HG3 GLN A 72 13.002 1.112 2.218 1.00 21.44 H new ATOM 0 HE21 GLN A 72 11.262 0.265 3.560 1.00 22.25 H new ATOM 0 HE22 GLN A 72 10.706 -1.399 3.346 1.00 22.25 H new ATOM 1180 N LEU A 73 8.603 1.529 -0.194 1.00 64.42 N ATOM 1181 CA LEU A 73 7.190 1.241 0.119 1.00 51.51 C ATOM 1182 C LEU A 73 6.488 0.496 -1.042 1.00 13.11 C ATOM 1183 O LEU A 73 5.680 -0.403 -0.806 1.00 1.31 O ATOM 1184 CB LEU A 73 6.468 2.573 0.432 1.00 72.35 C ATOM 1185 CG LEU A 73 7.066 3.397 1.612 1.00 10.51 C ATOM 1186 CD1 LEU A 73 6.430 4.799 1.719 1.00 73.24 C ATOM 1187 CD2 LEU A 73 6.968 2.621 2.941 1.00 61.11 C ATOM 0 H LEU A 73 8.795 2.526 -0.292 1.00 64.42 H new ATOM 0 HA LEU A 73 7.147 0.584 0.988 1.00 51.51 H new ATOM 0 HB2 LEU A 73 6.481 3.193 -0.465 1.00 72.35 H new ATOM 0 HB3 LEU A 73 5.423 2.357 0.655 1.00 72.35 H new ATOM 0 HG LEU A 73 8.124 3.549 1.398 1.00 10.51 H new ATOM 0 HD11 LEU A 73 6.876 5.338 2.555 1.00 73.24 H new ATOM 0 HD12 LEU A 73 6.607 5.350 0.795 1.00 73.24 H new ATOM 0 HD13 LEU A 73 5.357 4.700 1.883 1.00 73.24 H new ATOM 0 HD21 LEU A 73 7.393 3.222 3.745 1.00 61.11 H new ATOM 0 HD22 LEU A 73 5.922 2.408 3.161 1.00 61.11 H new ATOM 0 HD23 LEU A 73 7.519 1.685 2.857 1.00 61.11 H new ATOM 1199 N LEU A 74 6.818 0.878 -2.295 1.00 32.33 N ATOM 1200 CA LEU A 74 6.304 0.196 -3.510 1.00 40.03 C ATOM 1201 C LEU A 74 6.880 -1.249 -3.582 1.00 21.12 C ATOM 1202 O LEU A 74 6.181 -2.185 -3.976 1.00 41.13 O ATOM 1203 CB LEU A 74 6.666 1.040 -4.789 1.00 34.01 C ATOM 1204 CG LEU A 74 5.733 0.911 -6.054 1.00 71.54 C ATOM 1205 CD1 LEU A 74 5.831 -0.460 -6.751 1.00 14.32 C ATOM 1206 CD2 LEU A 74 4.270 1.238 -5.695 1.00 12.15 C ATOM 0 H LEU A 74 7.442 1.660 -2.495 1.00 32.33 H new ATOM 0 HA LEU A 74 5.218 0.119 -3.464 1.00 40.03 H new ATOM 0 HB2 LEU A 74 6.691 2.090 -4.499 1.00 34.01 H new ATOM 0 HB3 LEU A 74 7.677 0.769 -5.092 1.00 34.01 H new ATOM 0 HG LEU A 74 6.096 1.646 -6.773 1.00 71.54 H new ATOM 0 HD11 LEU A 74 5.163 -0.479 -7.612 1.00 14.32 H new ATOM 0 HD12 LEU A 74 6.856 -0.627 -7.083 1.00 14.32 H new ATOM 0 HD13 LEU A 74 5.543 -1.245 -6.052 1.00 14.32 H new ATOM 0 HD21 LEU A 74 3.647 1.142 -6.584 1.00 12.15 H new ATOM 0 HD22 LEU A 74 3.920 0.545 -4.930 1.00 12.15 H new ATOM 0 HD23 LEU A 74 4.208 2.258 -5.317 1.00 12.15 H new ATOM 1218 N GLU A 75 8.158 -1.406 -3.170 1.00 20.52 N ATOM 1219 CA GLU A 75 8.835 -2.723 -3.068 1.00 23.11 C ATOM 1220 C GLU A 75 8.201 -3.607 -1.960 1.00 55.23 C ATOM 1221 O GLU A 75 8.051 -4.825 -2.137 1.00 3.35 O ATOM 1222 CB GLU A 75 10.353 -2.528 -2.802 1.00 40.43 C ATOM 1223 CG GLU A 75 11.150 -3.835 -2.577 1.00 42.53 C ATOM 1224 CD GLU A 75 12.651 -3.608 -2.314 1.00 13.05 C ATOM 1225 OE1 GLU A 75 12.991 -2.925 -1.322 1.00 71.13 O ATOM 1226 OE2 GLU A 75 13.496 -4.122 -3.077 1.00 33.53 O ATOM 0 H GLU A 75 8.752 -0.623 -2.898 1.00 20.52 H new ATOM 0 HA GLU A 75 8.704 -3.240 -4.019 1.00 23.11 H new ATOM 0 HB2 GLU A 75 10.789 -1.995 -3.647 1.00 40.43 H new ATOM 0 HB3 GLU A 75 10.474 -1.891 -1.926 1.00 40.43 H new ATOM 0 HG2 GLU A 75 10.719 -4.372 -1.732 1.00 42.53 H new ATOM 0 HG3 GLU A 75 11.036 -4.475 -3.452 1.00 42.53 H new ATOM 1233 N GLU A 76 7.822 -2.969 -0.830 1.00 22.20 N ATOM 1234 CA GLU A 76 7.119 -3.632 0.292 1.00 20.02 C ATOM 1235 C GLU A 76 5.813 -4.315 -0.181 1.00 13.11 C ATOM 1236 O GLU A 76 5.503 -5.438 0.231 1.00 21.30 O ATOM 1237 CB GLU A 76 6.802 -2.608 1.425 1.00 4.23 C ATOM 1238 CG GLU A 76 8.001 -2.164 2.295 1.00 3.33 C ATOM 1239 CD GLU A 76 8.625 -3.307 3.125 1.00 43.41 C ATOM 1240 OE1 GLU A 76 7.886 -4.004 3.856 1.00 21.14 O ATOM 1241 OE2 GLU A 76 9.856 -3.504 3.081 1.00 14.14 O ATOM 0 H GLU A 76 7.996 -1.977 -0.670 1.00 22.20 H new ATOM 0 HA GLU A 76 7.784 -4.402 0.683 1.00 20.02 H new ATOM 0 HB2 GLU A 76 6.360 -1.721 0.972 1.00 4.23 H new ATOM 0 HB3 GLU A 76 6.046 -3.043 2.079 1.00 4.23 H new ATOM 0 HG2 GLU A 76 8.768 -1.736 1.649 1.00 3.33 H new ATOM 0 HG3 GLU A 76 7.675 -1.373 2.970 1.00 3.33 H new ATOM 1248 N ILE A 77 5.070 -3.624 -1.062 1.00 10.23 N ATOM 1249 CA ILE A 77 3.832 -4.156 -1.676 1.00 4.54 C ATOM 1250 C ILE A 77 4.157 -5.237 -2.738 1.00 52.31 C ATOM 1251 O ILE A 77 3.521 -6.290 -2.778 1.00 10.00 O ATOM 1252 CB ILE A 77 3.008 -3.009 -2.376 1.00 22.24 C ATOM 1253 CG1 ILE A 77 2.832 -1.777 -1.433 1.00 14.54 C ATOM 1254 CG2 ILE A 77 1.624 -3.525 -2.855 1.00 31.52 C ATOM 1255 CD1 ILE A 77 2.350 -0.521 -2.140 1.00 11.14 C ATOM 0 H ILE A 77 5.307 -2.681 -1.371 1.00 10.23 H new ATOM 0 HA ILE A 77 3.243 -4.595 -0.871 1.00 4.54 H new ATOM 0 HB ILE A 77 3.576 -2.689 -3.249 1.00 22.24 H new ATOM 0 HG12 ILE A 77 2.123 -2.033 -0.646 1.00 14.54 H new ATOM 0 HG13 ILE A 77 3.785 -1.565 -0.947 1.00 14.54 H new ATOM 0 HG21 ILE A 77 1.078 -2.712 -3.334 1.00 31.52 H new ATOM 0 HG22 ILE A 77 1.765 -4.337 -3.569 1.00 31.52 H new ATOM 0 HG23 ILE A 77 1.055 -3.889 -1.999 1.00 31.52 H new ATOM 0 HD11 ILE A 77 2.253 0.289 -1.417 1.00 11.14 H new ATOM 0 HD12 ILE A 77 3.069 -0.237 -2.908 1.00 11.14 H new ATOM 0 HD13 ILE A 77 1.382 -0.713 -2.602 1.00 11.14 H new ATOM 1267 N GLU A 78 5.165 -4.936 -3.586 1.00 3.24 N ATOM 1268 CA GLU A 78 5.536 -5.749 -4.773 1.00 1.34 C ATOM 1269 C GLU A 78 5.878 -7.216 -4.415 1.00 13.32 C ATOM 1270 O GLU A 78 5.385 -8.153 -5.057 1.00 55.03 O ATOM 1271 CB GLU A 78 6.742 -5.087 -5.500 1.00 23.21 C ATOM 1272 CG GLU A 78 7.261 -5.852 -6.741 1.00 54.33 C ATOM 1273 CD GLU A 78 8.465 -5.173 -7.423 1.00 11.11 C ATOM 1274 OE1 GLU A 78 9.616 -5.403 -6.997 1.00 73.33 O ATOM 1275 OE2 GLU A 78 8.261 -4.402 -8.388 1.00 71.34 O ATOM 0 H GLU A 78 5.754 -4.111 -3.467 1.00 3.24 H new ATOM 0 HA GLU A 78 4.666 -5.778 -5.429 1.00 1.34 H new ATOM 0 HB2 GLU A 78 6.454 -4.081 -5.807 1.00 23.21 H new ATOM 0 HB3 GLU A 78 7.561 -4.981 -4.789 1.00 23.21 H new ATOM 0 HG2 GLU A 78 7.544 -6.862 -6.443 1.00 54.33 H new ATOM 0 HG3 GLU A 78 6.451 -5.948 -7.464 1.00 54.33 H new ATOM 1282 N LYS A 79 6.723 -7.397 -3.382 1.00 0.53 N ATOM 1283 CA LYS A 79 7.161 -8.735 -2.923 1.00 5.14 C ATOM 1284 C LYS A 79 5.977 -9.583 -2.382 1.00 31.40 C ATOM 1285 O LYS A 79 5.937 -10.796 -2.582 1.00 3.31 O ATOM 1286 CB LYS A 79 8.293 -8.601 -1.861 1.00 24.34 C ATOM 1287 CG LYS A 79 7.913 -7.798 -0.596 1.00 40.53 C ATOM 1288 CD LYS A 79 9.115 -7.594 0.358 1.00 73.30 C ATOM 1289 CE LYS A 79 8.760 -6.737 1.586 1.00 72.23 C ATOM 1290 NZ LYS A 79 9.941 -6.462 2.452 1.00 4.42 N ATOM 0 H LYS A 79 7.121 -6.627 -2.843 1.00 0.53 H new ATOM 0 HA LYS A 79 7.559 -9.268 -3.787 1.00 5.14 H new ATOM 0 HB2 LYS A 79 8.606 -9.600 -1.558 1.00 24.34 H new ATOM 0 HB3 LYS A 79 9.155 -8.125 -2.329 1.00 24.34 H new ATOM 0 HG2 LYS A 79 7.518 -6.826 -0.891 1.00 40.53 H new ATOM 0 HG3 LYS A 79 7.116 -8.318 -0.065 1.00 40.53 H new ATOM 0 HD2 LYS A 79 9.478 -8.566 0.691 1.00 73.30 H new ATOM 0 HD3 LYS A 79 9.930 -7.119 -0.188 1.00 73.30 H new ATOM 0 HE2 LYS A 79 8.330 -5.792 1.253 1.00 72.23 H new ATOM 0 HE3 LYS A 79 7.995 -7.247 2.172 1.00 72.23 H new ATOM 0 HZ1 LYS A 79 9.814 -6.931 3.371 1.00 4.42 H new ATOM 0 HZ2 LYS A 79 10.800 -6.826 1.993 1.00 4.42 H new ATOM 0 HZ3 LYS A 79 10.034 -5.436 2.597 1.00 4.42 H new ATOM 1304 N LEU A 80 5.000 -8.916 -1.728 1.00 24.41 N ATOM 1305 CA LEU A 80 3.782 -9.574 -1.186 1.00 4.22 C ATOM 1306 C LEU A 80 2.740 -9.872 -2.285 1.00 61.11 C ATOM 1307 O LEU A 80 1.970 -10.829 -2.180 1.00 11.33 O ATOM 1308 CB LEU A 80 3.133 -8.690 -0.105 1.00 22.12 C ATOM 1309 CG LEU A 80 4.050 -8.269 1.073 1.00 4.00 C ATOM 1310 CD1 LEU A 80 3.255 -7.441 2.089 1.00 41.35 C ATOM 1311 CD2 LEU A 80 4.734 -9.484 1.750 1.00 54.22 C ATOM 0 H LEU A 80 5.030 -7.910 -1.560 1.00 24.41 H new ATOM 0 HA LEU A 80 4.101 -10.523 -0.755 1.00 4.22 H new ATOM 0 HB2 LEU A 80 2.752 -7.787 -0.583 1.00 22.12 H new ATOM 0 HB3 LEU A 80 2.273 -9.222 0.303 1.00 22.12 H new ATOM 0 HG LEU A 80 4.851 -7.652 0.666 1.00 4.00 H new ATOM 0 HD11 LEU A 80 3.908 -7.150 2.912 1.00 41.35 H new ATOM 0 HD12 LEU A 80 2.864 -6.547 1.603 1.00 41.35 H new ATOM 0 HD13 LEU A 80 2.427 -8.036 2.475 1.00 41.35 H new ATOM 0 HD21 LEU A 80 5.365 -9.137 2.568 1.00 54.22 H new ATOM 0 HD22 LEU A 80 3.973 -10.159 2.140 1.00 54.22 H new ATOM 0 HD23 LEU A 80 5.346 -10.011 1.018 1.00 54.22 H new ATOM 1323 N LEU A 81 2.705 -9.010 -3.309 1.00 20.52 N ATOM 1324 CA LEU A 81 1.803 -9.156 -4.464 1.00 34.05 C ATOM 1325 C LEU A 81 2.237 -10.354 -5.339 1.00 33.31 C ATOM 1326 O LEU A 81 1.404 -11.097 -5.864 1.00 65.35 O ATOM 1327 CB LEU A 81 1.782 -7.835 -5.285 1.00 70.12 C ATOM 1328 CG LEU A 81 0.792 -7.783 -6.492 1.00 61.41 C ATOM 1329 CD1 LEU A 81 -0.644 -8.137 -6.053 1.00 4.20 C ATOM 1330 CD2 LEU A 81 0.835 -6.403 -7.195 1.00 3.42 C ATOM 0 H LEU A 81 3.304 -8.186 -3.362 1.00 20.52 H new ATOM 0 HA LEU A 81 0.792 -9.355 -4.108 1.00 34.05 H new ATOM 0 HB2 LEU A 81 1.539 -7.016 -4.608 1.00 70.12 H new ATOM 0 HB3 LEU A 81 2.788 -7.650 -5.660 1.00 70.12 H new ATOM 0 HG LEU A 81 1.114 -8.534 -7.214 1.00 61.41 H new ATOM 0 HD11 LEU A 81 -1.310 -8.092 -6.915 1.00 4.20 H new ATOM 0 HD12 LEU A 81 -0.659 -9.144 -5.635 1.00 4.20 H new ATOM 0 HD13 LEU A 81 -0.979 -7.426 -5.298 1.00 4.20 H new ATOM 0 HD21 LEU A 81 0.135 -6.398 -8.031 1.00 3.42 H new ATOM 0 HD22 LEU A 81 0.557 -5.624 -6.485 1.00 3.42 H new ATOM 0 HD23 LEU A 81 1.843 -6.214 -7.565 1.00 3.42 H new ATOM 1342 N LYS A 82 3.561 -10.514 -5.471 1.00 72.33 N ATOM 1343 CA LYS A 82 4.192 -11.682 -6.121 1.00 53.01 C ATOM 1344 C LYS A 82 3.956 -12.970 -5.280 1.00 61.51 C ATOM 1345 O LYS A 82 3.667 -14.040 -5.822 1.00 41.44 O ATOM 1346 CB LYS A 82 5.714 -11.416 -6.271 1.00 34.25 C ATOM 1347 CG LYS A 82 6.493 -12.466 -7.106 1.00 64.11 C ATOM 1348 CD LYS A 82 8.031 -12.315 -6.956 1.00 3.10 C ATOM 1349 CE LYS A 82 8.545 -10.906 -7.322 1.00 41.43 C ATOM 1350 NZ LYS A 82 8.339 -10.574 -8.755 1.00 53.44 N ATOM 0 H LYS A 82 4.236 -9.831 -5.127 1.00 72.33 H new ATOM 0 HA LYS A 82 3.745 -11.831 -7.104 1.00 53.01 H new ATOM 0 HB2 LYS A 82 5.851 -10.437 -6.730 1.00 34.25 H new ATOM 0 HB3 LYS A 82 6.157 -11.366 -5.276 1.00 34.25 H new ATOM 0 HG2 LYS A 82 6.196 -13.467 -6.794 1.00 64.11 H new ATOM 0 HG3 LYS A 82 6.221 -12.366 -8.157 1.00 64.11 H new ATOM 0 HD2 LYS A 82 8.313 -12.541 -5.928 1.00 3.10 H new ATOM 0 HD3 LYS A 82 8.525 -13.051 -7.591 1.00 3.10 H new ATOM 0 HE2 LYS A 82 8.035 -10.166 -6.705 1.00 41.43 H new ATOM 0 HE3 LYS A 82 9.607 -10.839 -7.087 1.00 41.43 H new ATOM 0 HZ1 LYS A 82 8.702 -9.618 -8.946 1.00 53.44 H new ATOM 0 HZ2 LYS A 82 8.847 -11.262 -9.347 1.00 53.44 H new ATOM 0 HZ3 LYS A 82 7.324 -10.610 -8.977 1.00 53.44 H new ATOM 1364 N LYS A 83 4.088 -12.814 -3.944 1.00 24.35 N ATOM 1365 CA LYS A 83 3.891 -13.897 -2.940 1.00 53.40 C ATOM 1366 C LYS A 83 2.435 -14.452 -2.993 1.00 52.24 C ATOM 1367 O LYS A 83 2.213 -15.666 -2.891 1.00 42.34 O ATOM 1368 CB LYS A 83 4.238 -13.345 -1.504 1.00 45.24 C ATOM 1369 CG LYS A 83 5.142 -14.245 -0.620 1.00 31.42 C ATOM 1370 CD LYS A 83 4.475 -15.572 -0.189 1.00 31.44 C ATOM 1371 CE LYS A 83 5.396 -16.436 0.696 1.00 25.30 C ATOM 1372 NZ LYS A 83 4.772 -17.740 1.039 1.00 43.03 N ATOM 0 H LYS A 83 4.338 -11.920 -3.521 1.00 24.35 H new ATOM 0 HA LYS A 83 4.560 -14.726 -3.173 1.00 53.40 H new ATOM 0 HB2 LYS A 83 4.726 -12.377 -1.619 1.00 45.24 H new ATOM 0 HB3 LYS A 83 3.304 -13.169 -0.970 1.00 45.24 H new ATOM 0 HG2 LYS A 83 6.058 -14.471 -1.166 1.00 31.42 H new ATOM 0 HG3 LYS A 83 5.431 -13.689 0.272 1.00 31.42 H new ATOM 0 HD2 LYS A 83 3.556 -15.353 0.354 1.00 31.44 H new ATOM 0 HD3 LYS A 83 4.194 -16.139 -1.077 1.00 31.44 H new ATOM 0 HE2 LYS A 83 6.339 -16.610 0.177 1.00 25.30 H new ATOM 0 HE3 LYS A 83 5.632 -15.894 1.612 1.00 25.30 H new ATOM 0 HZ1 LYS A 83 5.423 -18.290 1.635 1.00 43.03 H new ATOM 0 HZ2 LYS A 83 3.885 -17.575 1.556 1.00 43.03 H new ATOM 0 HZ3 LYS A 83 4.570 -18.269 0.166 1.00 43.03 H new ATOM 1386 N ALA A 84 1.461 -13.534 -3.162 1.00 61.42 N ATOM 1387 CA ALA A 84 0.023 -13.872 -3.285 1.00 73.11 C ATOM 1388 C ALA A 84 -0.306 -14.441 -4.689 1.00 55.05 C ATOM 1389 O ALA A 84 -1.045 -15.427 -4.816 1.00 5.53 O ATOM 1390 CB ALA A 84 -0.838 -12.626 -2.992 1.00 44.30 C ATOM 0 H ALA A 84 1.648 -12.533 -3.218 1.00 61.42 H new ATOM 0 HA ALA A 84 -0.208 -14.646 -2.553 1.00 73.11 H new ATOM 0 HB1 ALA A 84 -1.893 -12.883 -3.085 1.00 44.30 H new ATOM 0 HB2 ALA A 84 -0.637 -12.275 -1.980 1.00 44.30 H new ATOM 0 HB3 ALA A 84 -0.593 -11.838 -3.704 1.00 44.30 H new