USER MOD reduce.3.24.130724 H: found=0, std=0, add=953, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 957 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 36 MET CE :methyl 143:sc= -2.39 (180deg=-5.05!) USER MOD Set 1.2: A 72 MET CE :methyl 140:sc= -0.763 (180deg=-0.76) USER MOD Set 2.1: A 26 THR OG1 : rot 151:sc= 1.24 USER MOD Set 2.2: A 62 THR OG1 : rot -170:sc= 1.08 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0398) USER MOD Single : A 17 SER OG : rot 106:sc= 0.472 USER MOD Single : A 28 THR OG1 : rot -105:sc= 0.504 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.00878 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.0605 USER MOD Single : A 38 SER OG : rot -28:sc= 0.233 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 ASN : amide:sc= -0.0646 X(o=-0.065,f=-0.033) USER MOD Single : A 44 THR OG1 : rot 171:sc= 1.21 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 MET CE :methyl -125:sc= -1.87 (180deg=-4.1!) USER MOD Single : A 53 ASN : amide:sc=-0.00505 X(o=-0.005,f=-0.027) USER MOD Single : A 70 THR OG1 : rot 6:sc= 0.484 USER MOD Single : A 71 MET CE :methyl 176:sc= -1.1 (180deg=-1.14) USER MOD Single : A 81 SER OG : rot -29:sc= 0.125 USER MOD Single : A 94 LYS NZ :NH3+ 174:sc= 1.23 (180deg=0.997) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= -0.105 USER MOD Single : A 107 HIS : no HD1:sc= -0.181 X(o=-0.18,f=0.037) USER MOD Single : A 109 MET CE :methyl -117:sc= -2.34! (180deg=-4.64!) USER MOD Single : A 110 THR OG1 : rot 89:sc= 0.953 USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0.00182 USER MOD Single : A 124 MET CE :methyl 138:sc= -7.45! (180deg=-11.3!) USER MOD Single : A 135 GLN : amide:sc= -0.733 K(o=-0.73,f=0) USER MOD Single : A 137 ASN : amide:sc= -0.224 K(o=-0.22,f=-0.9) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= -0.472 K(o=-0.47,f=-1) USER MOD Single : A 144 MET CE :methyl -128:sc= -2.01 (180deg=-4.51!) USER MOD Single : A 145 MET CE :methyl 158:sc= -0.535 (180deg=-1.5) USER MOD Single : A 146 THR OG1 : rot -28:sc= 0.223 USER MOD Single : A 148 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 90 N GLU A 7 2.826 13.707 -11.716 1.00 3.51 N ATOM 91 CA GLU A 7 1.581 14.316 -12.201 1.00 3.59 C ATOM 92 C GLU A 7 0.402 14.096 -11.257 1.00 3.35 C ATOM 93 O GLU A 7 -0.597 14.814 -11.351 1.00 3.38 O ATOM 94 CB GLU A 7 1.235 13.799 -13.601 1.00 3.93 C ATOM 95 CG GLU A 7 2.133 14.347 -14.700 1.00 4.45 C ATOM 96 CD GLU A 7 1.771 13.812 -16.071 1.00 5.14 C ATOM 97 OE1 GLU A 7 0.935 14.442 -16.753 1.00 5.54 O ATOM 98 OE2 GLU A 7 2.322 12.763 -16.464 1.00 5.58 O ATOM 0 HA GLU A 7 1.761 15.390 -12.243 1.00 3.59 H new ATOM 0 HB2 GLU A 7 1.299 12.711 -13.602 1.00 3.93 H new ATOM 0 HB3 GLU A 7 0.201 14.058 -13.828 1.00 3.93 H new ATOM 0 HG2 GLU A 7 2.066 15.435 -14.710 1.00 4.45 H new ATOM 0 HG3 GLU A 7 3.169 14.093 -14.477 1.00 4.45 H new ATOM 105 N GLN A 8 0.500 13.099 -10.359 1.00 3.16 N ATOM 106 CA GLN A 8 -0.562 12.848 -9.381 1.00 2.96 C ATOM 107 C GLN A 8 -0.727 14.059 -8.494 1.00 2.69 C ATOM 108 O GLN A 8 -1.835 14.387 -8.083 1.00 2.63 O ATOM 109 CB GLN A 8 -0.291 11.587 -8.554 1.00 2.87 C ATOM 110 CG GLN A 8 -0.488 10.292 -9.327 1.00 3.23 C ATOM 111 CD GLN A 8 -0.237 9.062 -8.477 1.00 3.13 C ATOM 112 OE1 GLN A 8 -1.148 8.538 -7.837 1.00 3.27 O ATOM 113 NE2 GLN A 8 1.006 8.595 -8.467 1.00 3.29 N ATOM 0 H GLN A 8 1.295 12.464 -10.294 1.00 3.16 H new ATOM 0 HA GLN A 8 -1.492 12.672 -9.921 1.00 2.96 H new ATOM 0 HB2 GLN A 8 0.732 11.623 -8.178 1.00 2.87 H new ATOM 0 HB3 GLN A 8 -0.950 11.585 -7.686 1.00 2.87 H new ATOM 0 HG2 GLN A 8 -1.505 10.258 -9.718 1.00 3.23 H new ATOM 0 HG3 GLN A 8 0.184 10.280 -10.185 1.00 3.23 H new ATOM 0 HE21 GLN A 8 1.730 9.061 -9.013 1.00 3.29 H new ATOM 0 HE22 GLN A 8 1.236 7.770 -7.913 1.00 3.29 H new ATOM 122 N ILE A 9 0.401 14.707 -8.210 1.00 2.59 N ATOM 123 CA ILE A 9 0.433 15.954 -7.474 1.00 2.41 C ATOM 124 C ILE A 9 -0.440 16.974 -8.203 1.00 2.64 C ATOM 125 O ILE A 9 -1.223 17.685 -7.574 1.00 2.55 O ATOM 126 CB ILE A 9 1.894 16.433 -7.342 1.00 2.42 C ATOM 127 CG1 ILE A 9 2.577 15.607 -6.253 1.00 2.20 C ATOM 128 CG2 ILE A 9 1.992 17.933 -7.084 1.00 2.45 C ATOM 129 CD1 ILE A 9 3.260 14.372 -6.793 1.00 2.35 C ATOM 0 H ILE A 9 1.323 14.372 -8.490 1.00 2.59 H new ATOM 0 HA ILE A 9 0.038 15.823 -6.467 1.00 2.41 H new ATOM 0 HB ILE A 9 2.412 16.276 -8.288 1.00 2.42 H new ATOM 0 HG12 ILE A 9 3.312 16.228 -5.740 1.00 2.20 H new ATOM 0 HG13 ILE A 9 1.836 15.311 -5.510 1.00 2.20 H new ATOM 0 HG21 ILE A 9 3.040 18.220 -6.999 1.00 2.45 H new ATOM 0 HG22 ILE A 9 1.533 18.475 -7.911 1.00 2.45 H new ATOM 0 HG23 ILE A 9 1.473 18.178 -6.157 1.00 2.45 H new ATOM 0 HD11 ILE A 9 3.727 13.826 -5.973 1.00 2.35 H new ATOM 0 HD12 ILE A 9 2.524 13.733 -7.281 1.00 2.35 H new ATOM 0 HD13 ILE A 9 4.023 14.664 -7.515 1.00 2.35 H new ATOM 141 N ALA A 10 -0.285 17.029 -9.543 1.00 2.97 N ATOM 142 CA ALA A 10 -1.122 17.890 -10.390 1.00 3.26 C ATOM 143 C ALA A 10 -2.598 17.553 -10.198 1.00 3.27 C ATOM 144 O ALA A 10 -3.468 18.413 -10.364 1.00 3.43 O ATOM 145 CB ALA A 10 -0.719 17.781 -11.853 1.00 3.61 C ATOM 0 H ALA A 10 0.411 16.487 -10.055 1.00 2.97 H new ATOM 0 HA ALA A 10 -0.966 18.925 -10.084 1.00 3.26 H new ATOM 0 HB1 ALA A 10 -1.356 18.429 -12.455 1.00 3.61 H new ATOM 0 HB2 ALA A 10 0.321 18.086 -11.968 1.00 3.61 H new ATOM 0 HB3 ALA A 10 -0.833 16.749 -12.186 1.00 3.61 H new ATOM 151 N GLU A 11 -2.861 16.285 -9.847 1.00 3.14 N ATOM 152 CA GLU A 11 -4.220 15.827 -9.544 1.00 3.18 C ATOM 153 C GLU A 11 -4.547 16.147 -8.095 1.00 2.87 C ATOM 154 O GLU A 11 -5.709 16.350 -7.732 1.00 2.94 O ATOM 155 CB GLU A 11 -4.358 14.323 -9.760 1.00 3.24 C ATOM 156 CG GLU A 11 -4.174 13.875 -11.205 1.00 3.63 C ATOM 157 CD GLU A 11 -4.328 12.376 -11.374 1.00 3.78 C ATOM 158 OE1 GLU A 11 -3.309 11.660 -11.274 1.00 4.13 O ATOM 159 OE2 GLU A 11 -5.466 11.918 -11.606 1.00 3.90 O ATOM 0 H GLU A 11 -2.148 15.560 -9.767 1.00 3.14 H new ATOM 0 HA GLU A 11 -4.909 16.340 -10.215 1.00 3.18 H new ATOM 0 HB2 GLU A 11 -3.625 13.810 -9.137 1.00 3.24 H new ATOM 0 HB3 GLU A 11 -5.344 14.008 -9.417 1.00 3.24 H new ATOM 0 HG2 GLU A 11 -4.903 14.385 -11.835 1.00 3.63 H new ATOM 0 HG3 GLU A 11 -3.186 14.177 -11.552 1.00 3.63 H new ATOM 166 N PHE A 12 -3.489 16.186 -7.282 1.00 2.56 N ATOM 167 CA PHE A 12 -3.591 16.490 -5.860 1.00 2.24 C ATOM 168 C PHE A 12 -3.934 17.968 -5.626 1.00 2.30 C ATOM 169 O PHE A 12 -4.709 18.282 -4.719 1.00 2.22 O ATOM 170 CB PHE A 12 -2.278 16.136 -5.143 1.00 1.94 C ATOM 171 CG PHE A 12 -2.034 14.650 -4.911 1.00 1.85 C ATOM 172 CD1 PHE A 12 -2.841 13.668 -5.485 1.00 2.28 C ATOM 173 CD2 PHE A 12 -0.998 14.238 -4.080 1.00 2.07 C ATOM 174 CE1 PHE A 12 -2.620 12.334 -5.227 1.00 2.34 C ATOM 175 CE2 PHE A 12 -0.775 12.896 -3.829 1.00 2.03 C ATOM 176 CZ PHE A 12 -1.599 11.944 -4.405 1.00 1.90 C ATOM 0 H PHE A 12 -2.535 16.006 -7.596 1.00 2.56 H new ATOM 0 HA PHE A 12 -4.399 15.886 -5.448 1.00 2.24 H new ATOM 0 HB2 PHE A 12 -1.448 16.536 -5.725 1.00 1.94 H new ATOM 0 HB3 PHE A 12 -2.264 16.643 -4.178 1.00 1.94 H new ATOM 0 HD1 PHE A 12 -3.649 13.958 -6.140 1.00 2.28 H new ATOM 0 HD2 PHE A 12 -0.357 14.978 -3.623 1.00 2.07 H new ATOM 0 HE1 PHE A 12 -3.259 11.589 -5.678 1.00 2.34 H new ATOM 0 HE2 PHE A 12 0.038 12.592 -3.187 1.00 2.03 H new ATOM 0 HZ PHE A 12 -1.436 10.895 -4.205 1.00 1.90 H new ATOM 186 N LYS A 13 -3.354 18.878 -6.448 1.00 2.51 N ATOM 187 CA LYS A 13 -3.632 20.322 -6.314 1.00 2.67 C ATOM 188 C LYS A 13 -4.991 20.693 -6.895 1.00 2.96 C ATOM 189 O LYS A 13 -5.538 21.742 -6.559 1.00 3.07 O ATOM 190 CB LYS A 13 -2.528 21.213 -6.919 1.00 2.86 C ATOM 191 CG LYS A 13 -1.877 20.689 -8.203 1.00 3.04 C ATOM 192 CD LYS A 13 -0.366 20.491 -8.033 1.00 2.93 C ATOM 193 CE LYS A 13 0.418 21.802 -8.121 1.00 3.15 C ATOM 194 NZ LYS A 13 0.475 22.330 -9.513 1.00 3.58 N ATOM 0 H LYS A 13 -2.703 18.640 -7.196 1.00 2.51 H new ATOM 0 HA LYS A 13 -3.647 20.516 -5.242 1.00 2.67 H new ATOM 0 HB2 LYS A 13 -2.952 22.196 -7.124 1.00 2.86 H new ATOM 0 HB3 LYS A 13 -1.749 21.352 -6.170 1.00 2.86 H new ATOM 0 HG2 LYS A 13 -2.339 19.743 -8.485 1.00 3.04 H new ATOM 0 HG3 LYS A 13 -2.063 21.389 -9.017 1.00 3.04 H new ATOM 0 HD2 LYS A 13 -0.172 20.021 -7.069 1.00 2.93 H new ATOM 0 HD3 LYS A 13 -0.006 19.805 -8.800 1.00 2.93 H new ATOM 0 HE2 LYS A 13 -0.045 22.545 -7.471 1.00 3.15 H new ATOM 0 HE3 LYS A 13 1.431 21.643 -7.753 1.00 3.15 H new ATOM 0 HZ1 LYS A 13 1.099 23.162 -9.544 1.00 3.58 H new ATOM 0 HZ2 LYS A 13 0.846 21.595 -10.148 1.00 3.58 H new ATOM 0 HZ3 LYS A 13 -0.480 22.603 -9.820 1.00 3.58 H new ATOM 208 N GLU A 14 -5.533 19.836 -7.774 1.00 3.12 N ATOM 209 CA GLU A 14 -6.860 20.071 -8.352 1.00 3.43 C ATOM 210 C GLU A 14 -7.950 19.850 -7.292 1.00 3.34 C ATOM 211 O GLU A 14 -9.006 20.488 -7.330 1.00 3.56 O ATOM 212 CB GLU A 14 -7.101 19.146 -9.550 1.00 3.67 C ATOM 213 CG GLU A 14 -6.309 19.527 -10.793 1.00 4.07 C ATOM 214 CD GLU A 14 -6.583 18.605 -11.964 1.00 4.36 C ATOM 215 OE1 GLU A 14 -5.832 17.621 -12.133 1.00 4.71 O ATOM 216 OE2 GLU A 14 -7.549 18.865 -12.712 1.00 4.52 O ATOM 0 H GLU A 14 -5.076 18.983 -8.096 1.00 3.12 H new ATOM 0 HA GLU A 14 -6.904 21.104 -8.696 1.00 3.43 H new ATOM 0 HB2 GLU A 14 -6.844 18.126 -9.266 1.00 3.67 H new ATOM 0 HB3 GLU A 14 -8.164 19.151 -9.793 1.00 3.67 H new ATOM 0 HG2 GLU A 14 -6.554 20.551 -11.076 1.00 4.07 H new ATOM 0 HG3 GLU A 14 -5.244 19.507 -10.561 1.00 4.07 H new ATOM 223 N ALA A 15 -7.665 18.933 -6.352 1.00 3.04 N ATOM 224 CA ALA A 15 -8.588 18.592 -5.265 1.00 2.97 C ATOM 225 C ALA A 15 -8.415 19.475 -4.032 1.00 2.76 C ATOM 226 O ALA A 15 -9.362 20.138 -3.614 1.00 2.91 O ATOM 227 CB ALA A 15 -8.427 17.117 -4.885 1.00 2.84 C ATOM 0 H ALA A 15 -6.789 18.410 -6.327 1.00 3.04 H new ATOM 0 HA ALA A 15 -9.596 18.773 -5.639 1.00 2.97 H new ATOM 0 HB1 ALA A 15 -9.116 16.872 -4.077 1.00 2.84 H new ATOM 0 HB2 ALA A 15 -8.646 16.492 -5.751 1.00 2.84 H new ATOM 0 HB3 ALA A 15 -7.404 16.936 -4.557 1.00 2.84 H new ATOM 233 N PHE A 16 -7.209 19.467 -3.440 1.00 2.45 N ATOM 234 CA PHE A 16 -6.903 20.267 -2.240 1.00 2.28 C ATOM 235 C PHE A 16 -7.358 21.713 -2.409 1.00 2.56 C ATOM 236 O PHE A 16 -7.910 22.316 -1.488 1.00 2.60 O ATOM 237 CB PHE A 16 -5.395 20.235 -1.980 1.00 2.02 C ATOM 238 CG PHE A 16 -4.932 20.802 -0.651 1.00 1.86 C ATOM 239 CD1 PHE A 16 -4.354 19.965 0.293 1.00 2.18 C ATOM 240 CD2 PHE A 16 -5.034 22.165 -0.363 1.00 2.17 C ATOM 241 CE1 PHE A 16 -3.891 20.456 1.488 1.00 2.21 C ATOM 242 CE2 PHE A 16 -4.574 22.658 0.848 1.00 2.07 C ATOM 243 CZ PHE A 16 -4.001 21.795 1.770 1.00 1.79 C ATOM 0 H PHE A 16 -6.423 18.910 -3.776 1.00 2.45 H new ATOM 0 HA PHE A 16 -7.440 19.836 -1.395 1.00 2.28 H new ATOM 0 HB2 PHE A 16 -5.058 19.201 -2.047 1.00 2.02 H new ATOM 0 HB3 PHE A 16 -4.898 20.785 -2.779 1.00 2.02 H new ATOM 0 HD1 PHE A 16 -4.267 18.909 0.084 1.00 2.18 H new ATOM 0 HD2 PHE A 16 -5.473 22.837 -1.086 1.00 2.17 H new ATOM 0 HE1 PHE A 16 -3.440 19.788 2.207 1.00 2.21 H new ATOM 0 HE2 PHE A 16 -4.662 23.711 1.073 1.00 2.07 H new ATOM 0 HZ PHE A 16 -3.640 22.178 2.713 1.00 1.79 H new ATOM 253 N SER A 17 -7.126 22.242 -3.606 1.00 2.80 N ATOM 254 CA SER A 17 -7.473 23.605 -3.926 1.00 3.11 C ATOM 255 C SER A 17 -8.975 23.827 -4.034 1.00 3.36 C ATOM 256 O SER A 17 -9.433 24.971 -3.961 1.00 3.59 O ATOM 257 CB SER A 17 -6.784 24.049 -5.211 1.00 3.33 C ATOM 258 OG SER A 17 -5.379 24.119 -5.041 1.00 3.30 O ATOM 0 H SER A 17 -6.692 21.731 -4.375 1.00 2.80 H new ATOM 0 HA SER A 17 -7.120 24.215 -3.095 1.00 3.11 H new ATOM 0 HB2 SER A 17 -7.022 23.351 -6.014 1.00 3.33 H new ATOM 0 HB3 SER A 17 -7.166 25.024 -5.513 1.00 3.33 H new ATOM 0 HG SER A 17 -4.956 23.363 -5.499 1.00 3.30 H new ATOM 264 N LEU A 18 -9.748 22.745 -4.222 1.00 3.35 N ATOM 265 CA LEU A 18 -11.191 22.872 -4.324 1.00 3.63 C ATOM 266 C LEU A 18 -11.777 23.238 -2.963 1.00 3.56 C ATOM 267 O LEU A 18 -12.904 23.727 -2.845 1.00 3.81 O ATOM 268 CB LEU A 18 -11.808 21.599 -4.918 1.00 3.72 C ATOM 269 CG LEU A 18 -12.248 20.548 -3.911 1.00 3.54 C ATOM 270 CD1 LEU A 18 -13.710 20.738 -3.519 1.00 3.79 C ATOM 271 CD2 LEU A 18 -12.015 19.137 -4.431 1.00 3.53 C ATOM 0 H LEU A 18 -9.395 21.792 -4.304 1.00 3.35 H new ATOM 0 HA LEU A 18 -11.439 23.681 -5.011 1.00 3.63 H new ATOM 0 HB2 LEU A 18 -12.671 21.882 -5.520 1.00 3.72 H new ATOM 0 HB3 LEU A 18 -11.082 21.147 -5.594 1.00 3.72 H new ATOM 0 HG LEU A 18 -11.633 20.681 -3.021 1.00 3.54 H new ATOM 0 HD11 LEU A 18 -13.996 19.972 -2.798 1.00 3.79 H new ATOM 0 HD12 LEU A 18 -13.842 21.724 -3.073 1.00 3.79 H new ATOM 0 HD13 LEU A 18 -14.338 20.654 -4.406 1.00 3.79 H new ATOM 0 HD21 LEU A 18 -12.342 18.415 -3.683 1.00 3.53 H new ATOM 0 HD22 LEU A 18 -12.582 18.990 -5.350 1.00 3.53 H new ATOM 0 HD23 LEU A 18 -10.953 18.994 -4.633 1.00 3.53 H new ATOM 283 N PHE A 19 -10.958 22.975 -1.967 1.00 3.24 N ATOM 284 CA PHE A 19 -11.265 23.258 -0.572 1.00 3.16 C ATOM 285 C PHE A 19 -10.290 24.312 -0.048 1.00 3.11 C ATOM 286 O PHE A 19 -10.286 24.637 1.143 1.00 3.07 O ATOM 287 CB PHE A 19 -11.126 21.987 0.273 1.00 2.89 C ATOM 288 CG PHE A 19 -12.025 20.840 -0.123 1.00 3.01 C ATOM 289 CD1 PHE A 19 -13.389 20.876 0.133 1.00 3.31 C ATOM 290 CD2 PHE A 19 -11.495 19.714 -0.733 1.00 3.27 C ATOM 291 CE1 PHE A 19 -14.203 19.813 -0.213 1.00 3.50 C ATOM 292 CE2 PHE A 19 -12.304 18.651 -1.084 1.00 3.41 C ATOM 293 CZ PHE A 19 -13.659 18.699 -0.823 1.00 3.37 C ATOM 0 H PHE A 19 -10.041 22.550 -2.102 1.00 3.24 H new ATOM 0 HA PHE A 19 -12.290 23.622 -0.502 1.00 3.16 H new ATOM 0 HB2 PHE A 19 -10.091 21.649 0.221 1.00 2.89 H new ATOM 0 HB3 PHE A 19 -11.327 22.240 1.314 1.00 2.89 H new ATOM 0 HD1 PHE A 19 -13.820 21.745 0.608 1.00 3.31 H new ATOM 0 HD2 PHE A 19 -10.435 19.667 -0.937 1.00 3.27 H new ATOM 0 HE1 PHE A 19 -15.262 19.854 -0.007 1.00 3.50 H new ATOM 0 HE2 PHE A 19 -11.877 17.782 -1.563 1.00 3.41 H new ATOM 0 HZ PHE A 19 -14.292 17.868 -1.095 1.00 3.37 H new ATOM 303 N ALA A 20 -9.466 24.844 -0.969 1.00 3.18 N ATOM 304 CA ALA A 20 -8.422 25.848 -0.636 1.00 3.22 C ATOM 305 C ALA A 20 -8.927 27.033 0.202 1.00 3.51 C ATOM 306 O ALA A 20 -9.954 27.642 -0.112 1.00 3.80 O ATOM 307 CB ALA A 20 -7.762 26.373 -1.903 1.00 3.38 C ATOM 0 H ALA A 20 -9.499 24.597 -1.958 1.00 3.18 H new ATOM 0 HA ALA A 20 -7.699 25.315 -0.018 1.00 3.22 H new ATOM 0 HB1 ALA A 20 -7.000 27.107 -1.639 1.00 3.38 H new ATOM 0 HB2 ALA A 20 -7.298 25.546 -2.441 1.00 3.38 H new ATOM 0 HB3 ALA A 20 -8.514 26.842 -2.537 1.00 3.38 H new ATOM 354 N ASP A 24 -2.999 30.455 4.815 1.00 3.98 N ATOM 355 CA ASP A 24 -1.748 29.841 4.326 1.00 3.89 C ATOM 356 C ASP A 24 -2.001 28.953 3.098 1.00 3.62 C ATOM 357 O ASP A 24 -1.063 28.542 2.409 1.00 3.56 O ATOM 358 CB ASP A 24 -1.089 29.016 5.437 1.00 3.77 C ATOM 359 CG ASP A 24 -0.524 29.880 6.549 1.00 4.13 C ATOM 360 OD1 ASP A 24 0.658 30.273 6.453 1.00 4.50 O ATOM 361 OD2 ASP A 24 -1.263 30.165 7.515 1.00 4.32 O ATOM 0 HA ASP A 24 -1.078 30.648 4.030 1.00 3.89 H new ATOM 0 HB2 ASP A 24 -1.822 28.326 5.855 1.00 3.77 H new ATOM 0 HB3 ASP A 24 -0.289 28.411 5.010 1.00 3.77 H new ATOM 366 N GLY A 25 -3.287 28.677 2.850 1.00 3.50 N ATOM 367 CA GLY A 25 -3.708 27.865 1.717 1.00 3.30 C ATOM 368 C GLY A 25 -3.799 26.428 2.129 1.00 2.90 C ATOM 369 O GLY A 25 -3.165 25.545 1.543 1.00 2.69 O ATOM 0 H GLY A 25 -4.057 29.011 3.430 1.00 3.50 H new ATOM 0 HA2 GLY A 25 -4.675 28.210 1.350 1.00 3.30 H new ATOM 0 HA3 GLY A 25 -2.999 27.973 0.897 1.00 3.30 H new ATOM 373 N THR A 26 -4.613 26.222 3.161 1.00 2.85 N ATOM 374 CA THR A 26 -4.798 24.919 3.757 1.00 2.53 C ATOM 375 C THR A 26 -6.213 24.372 3.569 1.00 2.45 C ATOM 376 O THR A 26 -7.070 25.031 2.974 1.00 2.66 O ATOM 377 CB THR A 26 -4.487 24.965 5.259 1.00 2.59 C ATOM 378 OG1 THR A 26 -5.396 25.829 5.954 1.00 2.84 O ATOM 379 CG2 THR A 26 -3.077 25.419 5.477 1.00 2.74 C ATOM 0 H THR A 26 -5.160 26.961 3.602 1.00 2.85 H new ATOM 0 HA THR A 26 -4.107 24.252 3.242 1.00 2.53 H new ATOM 0 HB THR A 26 -4.608 23.958 5.659 1.00 2.59 H new ATOM 0 HG1 THR A 26 -5.510 25.511 6.874 1.00 2.84 H new ATOM 0 HG21 THR A 26 -2.865 25.449 6.546 1.00 2.74 H new ATOM 0 HG22 THR A 26 -2.392 24.725 4.991 1.00 2.74 H new ATOM 0 HG23 THR A 26 -2.946 26.415 5.054 1.00 2.74 H new ATOM 387 N ILE A 27 -6.440 23.153 4.093 1.00 2.21 N ATOM 388 CA ILE A 27 -7.755 22.488 4.021 1.00 2.22 C ATOM 389 C ILE A 27 -7.951 21.632 5.273 1.00 2.15 C ATOM 390 O ILE A 27 -7.135 21.684 6.184 1.00 2.13 O ATOM 391 CB ILE A 27 -7.967 21.626 2.730 1.00 2.13 C ATOM 392 CG1 ILE A 27 -6.992 20.439 2.689 1.00 1.82 C ATOM 393 CG2 ILE A 27 -7.870 22.493 1.475 1.00 2.31 C ATOM 394 CD1 ILE A 27 -7.351 19.386 1.659 1.00 1.79 C ATOM 0 H ILE A 27 -5.726 22.606 4.573 1.00 2.21 H new ATOM 0 HA ILE A 27 -8.506 23.276 3.969 1.00 2.22 H new ATOM 0 HB ILE A 27 -8.974 21.209 2.759 1.00 2.13 H new ATOM 0 HG12 ILE A 27 -5.989 20.812 2.479 1.00 1.82 H new ATOM 0 HG13 ILE A 27 -6.959 19.974 3.674 1.00 1.82 H new ATOM 0 HG21 ILE A 27 -8.020 21.872 0.592 1.00 2.31 H new ATOM 0 HG22 ILE A 27 -8.635 23.268 1.508 1.00 2.31 H new ATOM 0 HG23 ILE A 27 -6.885 22.957 1.429 1.00 2.31 H new ATOM 0 HD11 ILE A 27 -6.617 18.581 1.690 1.00 1.79 H new ATOM 0 HD12 ILE A 27 -8.340 18.984 1.879 1.00 1.79 H new ATOM 0 HD13 ILE A 27 -7.355 19.835 0.666 1.00 1.79 H new ATOM 406 N THR A 28 -9.039 20.879 5.328 1.00 2.23 N ATOM 407 CA THR A 28 -9.312 20.017 6.480 1.00 2.29 C ATOM 408 C THR A 28 -8.992 18.564 6.124 1.00 2.17 C ATOM 409 O THR A 28 -8.465 18.290 5.040 1.00 2.04 O ATOM 410 CB THR A 28 -10.770 20.165 6.999 1.00 2.57 C ATOM 411 OG1 THR A 28 -11.704 19.635 6.047 1.00 2.86 O ATOM 412 CG2 THR A 28 -11.120 21.622 7.292 1.00 3.10 C ATOM 0 H THR A 28 -9.747 20.843 4.595 1.00 2.23 H new ATOM 0 HA THR A 28 -8.665 20.334 7.298 1.00 2.29 H new ATOM 0 HB THR A 28 -10.837 19.600 7.929 1.00 2.57 H new ATOM 0 HG1 THR A 28 -12.160 20.373 5.591 1.00 2.86 H new ATOM 0 HG21 THR A 28 -12.147 21.684 7.652 1.00 3.10 H new ATOM 0 HG22 THR A 28 -10.444 22.013 8.053 1.00 3.10 H new ATOM 0 HG23 THR A 28 -11.019 22.211 6.380 1.00 3.10 H new ATOM 420 N THR A 29 -9.308 17.640 7.031 1.00 2.30 N ATOM 421 CA THR A 29 -8.983 16.230 6.834 1.00 2.30 C ATOM 422 C THR A 29 -10.038 15.426 6.081 1.00 2.50 C ATOM 423 O THR A 29 -9.701 14.685 5.154 1.00 2.44 O ATOM 424 CB THR A 29 -8.680 15.551 8.156 1.00 2.48 C ATOM 425 OG1 THR A 29 -9.668 15.886 9.141 1.00 2.75 O ATOM 426 CG2 THR A 29 -7.300 15.976 8.611 1.00 2.32 C ATOM 0 H THR A 29 -9.788 17.843 7.908 1.00 2.30 H new ATOM 0 HA THR A 29 -8.098 16.241 6.198 1.00 2.30 H new ATOM 0 HB THR A 29 -8.706 14.469 8.026 1.00 2.48 H new ATOM 0 HG1 THR A 29 -9.454 15.436 9.985 1.00 2.75 H new ATOM 0 HG21 THR A 29 -7.066 15.496 9.561 1.00 2.32 H new ATOM 0 HG22 THR A 29 -6.563 15.680 7.864 1.00 2.32 H new ATOM 0 HG23 THR A 29 -7.275 17.059 8.736 1.00 2.32 H new ATOM 434 N LYS A 30 -11.306 15.550 6.489 1.00 2.77 N ATOM 435 CA LYS A 30 -12.417 14.821 5.844 1.00 3.04 C ATOM 436 C LYS A 30 -12.464 15.066 4.328 1.00 2.98 C ATOM 437 O LYS A 30 -12.773 14.158 3.552 1.00 3.14 O ATOM 438 CB LYS A 30 -13.759 15.226 6.473 1.00 3.33 C ATOM 439 CG LYS A 30 -13.989 14.680 7.881 1.00 3.42 C ATOM 440 CD LYS A 30 -13.384 15.583 8.949 1.00 3.38 C ATOM 441 CE LYS A 30 -13.655 15.049 10.346 1.00 3.68 C ATOM 442 NZ LYS A 30 -13.056 15.915 11.399 1.00 3.70 N ATOM 0 H LYS A 30 -11.594 16.148 7.264 1.00 2.77 H new ATOM 0 HA LYS A 30 -12.241 13.758 6.007 1.00 3.04 H new ATOM 0 HB2 LYS A 30 -13.817 16.314 6.505 1.00 3.33 H new ATOM 0 HB3 LYS A 30 -14.567 14.882 5.827 1.00 3.33 H new ATOM 0 HG2 LYS A 30 -15.059 14.575 8.059 1.00 3.42 H new ATOM 0 HG3 LYS A 30 -13.554 13.684 7.959 1.00 3.42 H new ATOM 0 HD2 LYS A 30 -12.309 15.665 8.792 1.00 3.38 H new ATOM 0 HD3 LYS A 30 -13.797 16.587 8.855 1.00 3.38 H new ATOM 0 HE2 LYS A 30 -14.731 14.977 10.504 1.00 3.68 H new ATOM 0 HE3 LYS A 30 -13.252 14.040 10.433 1.00 3.68 H new ATOM 0 HZ1 LYS A 30 -13.264 15.516 12.337 1.00 3.70 H new ATOM 0 HZ2 LYS A 30 -12.026 15.964 11.264 1.00 3.70 H new ATOM 0 HZ3 LYS A 30 -13.459 16.871 11.333 1.00 3.70 H new ATOM 456 N GLU A 31 -12.152 16.304 3.933 1.00 2.81 N ATOM 457 CA GLU A 31 -12.150 16.716 2.524 1.00 2.81 C ATOM 458 C GLU A 31 -10.794 16.496 1.837 1.00 2.52 C ATOM 459 O GLU A 31 -10.723 16.575 0.605 1.00 2.57 O ATOM 460 CB GLU A 31 -12.567 18.191 2.410 1.00 2.89 C ATOM 461 CG GLU A 31 -13.976 18.475 2.928 1.00 3.24 C ATOM 462 CD GLU A 31 -14.214 19.944 3.232 1.00 3.22 C ATOM 463 OE1 GLU A 31 -13.544 20.481 4.140 1.00 3.26 O ATOM 464 OE2 GLU A 31 -15.078 20.555 2.568 1.00 3.60 O ATOM 0 H GLU A 31 -11.894 17.049 4.580 1.00 2.81 H new ATOM 0 HA GLU A 31 -12.871 16.083 2.006 1.00 2.81 H new ATOM 0 HB2 GLU A 31 -11.856 18.804 2.964 1.00 2.89 H new ATOM 0 HB3 GLU A 31 -12.505 18.497 1.366 1.00 2.89 H new ATOM 0 HG2 GLU A 31 -14.703 18.141 2.188 1.00 3.24 H new ATOM 0 HG3 GLU A 31 -14.149 17.890 3.831 1.00 3.24 H new ATOM 471 N LEU A 32 -9.716 16.218 2.607 1.00 2.26 N ATOM 472 CA LEU A 32 -8.394 16.002 1.990 1.00 1.98 C ATOM 473 C LEU A 32 -8.269 14.629 1.374 1.00 2.07 C ATOM 474 O LEU A 32 -7.598 14.459 0.362 1.00 1.98 O ATOM 475 CB LEU A 32 -7.225 16.272 2.934 1.00 1.69 C ATOM 476 CG LEU A 32 -7.045 15.438 4.205 1.00 1.74 C ATOM 477 CD1 LEU A 32 -6.412 14.072 3.956 1.00 1.76 C ATOM 478 CD2 LEU A 32 -6.140 16.227 5.083 1.00 1.59 C ATOM 0 H LEU A 32 -9.735 16.140 3.624 1.00 2.26 H new ATOM 0 HA LEU A 32 -8.333 16.744 1.194 1.00 1.98 H new ATOM 0 HB2 LEU A 32 -6.310 16.171 2.350 1.00 1.69 H new ATOM 0 HB3 LEU A 32 -7.294 17.316 3.241 1.00 1.69 H new ATOM 0 HG LEU A 32 -8.025 15.243 4.641 1.00 1.74 H new ATOM 0 HD11 LEU A 32 -6.316 13.538 4.901 1.00 1.76 H new ATOM 0 HD12 LEU A 32 -7.042 13.497 3.277 1.00 1.76 H new ATOM 0 HD13 LEU A 32 -5.425 14.204 3.512 1.00 1.76 H new ATOM 0 HD21 LEU A 32 -5.970 15.684 6.013 1.00 1.59 H new ATOM 0 HD22 LEU A 32 -5.188 16.385 4.576 1.00 1.59 H new ATOM 0 HD23 LEU A 32 -6.598 17.191 5.305 1.00 1.59 H new ATOM 490 N GLY A 33 -8.875 13.641 2.020 1.00 2.31 N ATOM 491 CA GLY A 33 -8.886 12.296 1.466 1.00 2.52 C ATOM 492 C GLY A 33 -9.647 12.273 0.172 1.00 2.75 C ATOM 493 O GLY A 33 -9.527 11.340 -0.611 1.00 2.91 O ATOM 0 H GLY A 33 -9.357 13.743 2.913 1.00 2.31 H new ATOM 0 HA2 GLY A 33 -7.864 11.955 1.301 1.00 2.52 H new ATOM 0 HA3 GLY A 33 -9.342 11.606 2.176 1.00 2.52 H new ATOM 497 N THR A 34 -10.469 13.318 -0.015 1.00 2.81 N ATOM 498 CA THR A 34 -11.223 13.511 -1.238 1.00 3.07 C ATOM 499 C THR A 34 -10.250 13.871 -2.344 1.00 2.93 C ATOM 500 O THR A 34 -10.543 13.783 -3.540 1.00 3.16 O ATOM 501 CB THR A 34 -12.360 14.557 -1.090 1.00 3.23 C ATOM 502 OG1 THR A 34 -13.008 14.395 0.178 1.00 3.30 O ATOM 503 CG2 THR A 34 -13.402 14.418 -2.199 1.00 3.60 C ATOM 0 H THR A 34 -10.621 14.045 0.684 1.00 2.81 H new ATOM 0 HA THR A 34 -11.735 12.582 -1.488 1.00 3.07 H new ATOM 0 HB THR A 34 -11.908 15.546 -1.162 1.00 3.23 H new ATOM 0 HG1 THR A 34 -13.724 15.059 0.267 1.00 3.30 H new ATOM 0 HG21 THR A 34 -14.182 15.167 -2.062 1.00 3.60 H new ATOM 0 HG22 THR A 34 -12.924 14.565 -3.168 1.00 3.60 H new ATOM 0 HG23 THR A 34 -13.844 13.423 -2.160 1.00 3.60 H new ATOM 511 N VAL A 35 -9.089 14.278 -1.867 1.00 2.56 N ATOM 512 CA VAL A 35 -7.930 14.569 -2.703 1.00 2.39 C ATOM 513 C VAL A 35 -7.311 13.228 -3.012 1.00 2.44 C ATOM 514 O VAL A 35 -6.826 13.011 -4.115 1.00 2.53 O ATOM 515 CB VAL A 35 -6.800 15.436 -2.036 1.00 2.01 C ATOM 516 CG1 VAL A 35 -5.576 15.550 -2.946 1.00 1.92 C ATOM 517 CG2 VAL A 35 -7.252 16.830 -1.669 1.00 2.02 C ATOM 0 H VAL A 35 -8.917 14.419 -0.872 1.00 2.56 H new ATOM 0 HA VAL A 35 -8.289 15.146 -3.555 1.00 2.39 H new ATOM 0 HB VAL A 35 -6.543 14.908 -1.118 1.00 2.01 H new ATOM 0 HG11 VAL A 35 -4.813 16.155 -2.456 1.00 1.92 H new ATOM 0 HG12 VAL A 35 -5.177 14.555 -3.146 1.00 1.92 H new ATOM 0 HG13 VAL A 35 -5.864 16.021 -3.886 1.00 1.92 H new ATOM 0 HG21 VAL A 35 -6.424 17.373 -1.214 1.00 2.02 H new ATOM 0 HG22 VAL A 35 -7.580 17.354 -2.567 1.00 2.02 H new ATOM 0 HG23 VAL A 35 -8.079 16.770 -0.961 1.00 2.02 H new ATOM 527 N MET A 36 -7.341 12.326 -2.006 1.00 2.44 N ATOM 528 CA MET A 36 -6.750 11.021 -2.172 1.00 2.55 C ATOM 529 C MET A 36 -7.683 10.038 -2.891 1.00 2.97 C ATOM 530 O MET A 36 -7.237 9.293 -3.769 1.00 3.11 O ATOM 531 CB MET A 36 -6.340 10.454 -0.814 1.00 2.49 C ATOM 532 CG MET A 36 -5.068 9.615 -0.842 1.00 2.24 C ATOM 533 SD MET A 36 -4.687 8.861 0.757 1.00 2.48 S ATOM 534 CE MET A 36 -4.029 10.257 1.672 1.00 1.96 C ATOM 0 H MET A 36 -7.765 12.493 -1.093 1.00 2.44 H new ATOM 0 HA MET A 36 -5.869 11.147 -2.801 1.00 2.55 H new ATOM 0 HB2 MET A 36 -6.201 11.279 -0.116 1.00 2.49 H new ATOM 0 HB3 MET A 36 -7.156 9.843 -0.427 1.00 2.49 H new ATOM 0 HG2 MET A 36 -5.172 8.831 -1.592 1.00 2.24 H new ATOM 0 HG3 MET A 36 -4.232 10.242 -1.151 1.00 2.24 H new ATOM 0 HE1 MET A 36 -4.350 10.195 2.712 1.00 1.96 H new ATOM 0 HE2 MET A 36 -2.940 10.241 1.627 1.00 1.96 H new ATOM 0 HE3 MET A 36 -4.396 11.185 1.234 1.00 1.96 H new ATOM 544 N ARG A 37 -8.985 10.067 -2.540 1.00 3.18 N ATOM 545 CA ARG A 37 -9.968 9.142 -3.070 1.00 3.60 C ATOM 546 C ARG A 37 -10.295 9.418 -4.553 1.00 3.77 C ATOM 547 O ARG A 37 -10.824 8.549 -5.254 1.00 4.10 O ATOM 548 CB ARG A 37 -11.215 9.227 -2.155 1.00 3.78 C ATOM 549 CG ARG A 37 -12.565 9.206 -2.856 1.00 4.18 C ATOM 550 CD ARG A 37 -12.989 7.790 -3.225 1.00 4.52 C ATOM 551 NE ARG A 37 -13.529 7.056 -2.074 1.00 4.90 N ATOM 552 CZ ARG A 37 -13.988 5.797 -2.117 1.00 5.36 C ATOM 553 NH1 ARG A 37 -13.985 5.101 -3.253 1.00 5.45 N ATOM 554 NH2 ARG A 37 -14.454 5.231 -1.012 1.00 5.91 N ATOM 0 H ARG A 37 -9.370 10.740 -1.878 1.00 3.18 H new ATOM 0 HA ARG A 37 -9.573 8.126 -3.065 1.00 3.60 H new ATOM 0 HB2 ARG A 37 -11.181 8.395 -1.452 1.00 3.78 H new ATOM 0 HB3 ARG A 37 -11.148 10.143 -1.568 1.00 3.78 H new ATOM 0 HG2 ARG A 37 -13.318 9.654 -2.208 1.00 4.18 H new ATOM 0 HG3 ARG A 37 -12.516 9.817 -3.757 1.00 4.18 H new ATOM 0 HD2 ARG A 37 -13.741 7.831 -4.013 1.00 4.52 H new ATOM 0 HD3 ARG A 37 -12.133 7.250 -3.629 1.00 4.52 H new ATOM 0 HE ARG A 37 -13.557 7.539 -1.176 1.00 4.90 H new ATOM 0 HH11 ARG A 37 -13.629 5.525 -4.110 1.00 5.45 H new ATOM 0 HH12 ARG A 37 -14.338 4.144 -3.266 1.00 5.45 H new ATOM 0 HH21 ARG A 37 -14.462 5.753 -0.136 1.00 5.91 H new ATOM 0 HH22 ARG A 37 -14.805 4.274 -1.038 1.00 5.91 H new ATOM 568 N SER A 38 -9.953 10.624 -5.008 1.00 3.57 N ATOM 569 CA SER A 38 -10.214 11.061 -6.387 1.00 3.76 C ATOM 570 C SER A 38 -9.273 10.406 -7.414 1.00 3.81 C ATOM 571 O SER A 38 -9.508 10.517 -8.622 1.00 4.08 O ATOM 572 CB SER A 38 -10.097 12.587 -6.474 1.00 3.59 C ATOM 573 OG SER A 38 -10.577 13.072 -7.718 1.00 3.89 O ATOM 0 H SER A 38 -9.488 11.327 -4.434 1.00 3.57 H new ATOM 0 HA SER A 38 -11.226 10.742 -6.637 1.00 3.76 H new ATOM 0 HB2 SER A 38 -10.662 13.044 -5.661 1.00 3.59 H new ATOM 0 HB3 SER A 38 -9.056 12.882 -6.344 1.00 3.59 H new ATOM 0 HG SER A 38 -10.464 12.381 -8.404 1.00 3.89 H new ATOM 579 N LEU A 39 -8.221 9.726 -6.937 1.00 3.59 N ATOM 580 CA LEU A 39 -7.262 9.070 -7.837 1.00 3.65 C ATOM 581 C LEU A 39 -7.412 7.545 -7.827 1.00 3.91 C ATOM 582 O LEU A 39 -6.840 6.855 -8.677 1.00 4.06 O ATOM 583 CB LEU A 39 -5.821 9.463 -7.493 1.00 3.29 C ATOM 584 CG LEU A 39 -5.570 10.967 -7.426 1.00 3.06 C ATOM 585 CD1 LEU A 39 -5.668 11.442 -5.997 1.00 2.78 C ATOM 586 CD2 LEU A 39 -4.228 11.333 -8.019 1.00 3.19 C ATOM 0 H LEU A 39 -8.014 9.616 -5.944 1.00 3.59 H new ATOM 0 HA LEU A 39 -7.489 9.419 -8.844 1.00 3.65 H new ATOM 0 HB2 LEU A 39 -5.558 9.021 -6.532 1.00 3.29 H new ATOM 0 HB3 LEU A 39 -5.153 9.029 -8.237 1.00 3.29 H new ATOM 0 HG LEU A 39 -6.336 11.466 -8.020 1.00 3.06 H new ATOM 0 HD11 LEU A 39 -5.488 12.516 -5.957 1.00 2.78 H new ATOM 0 HD12 LEU A 39 -6.664 11.227 -5.610 1.00 2.78 H new ATOM 0 HD13 LEU A 39 -4.923 10.927 -5.390 1.00 2.78 H new ATOM 0 HD21 LEU A 39 -4.083 12.411 -7.954 1.00 3.19 H new ATOM 0 HD22 LEU A 39 -3.436 10.827 -7.467 1.00 3.19 H new ATOM 0 HD23 LEU A 39 -4.196 11.025 -9.064 1.00 3.19 H new ATOM 598 N GLY A 40 -8.187 7.035 -6.865 1.00 4.01 N ATOM 599 CA GLY A 40 -8.413 5.599 -6.746 1.00 4.30 C ATOM 600 C GLY A 40 -7.780 4.993 -5.502 1.00 4.16 C ATOM 601 O GLY A 40 -7.530 3.784 -5.460 1.00 4.36 O ATOM 0 H GLY A 40 -8.666 7.597 -6.161 1.00 4.01 H new ATOM 0 HA2 GLY A 40 -9.486 5.407 -6.730 1.00 4.30 H new ATOM 0 HA3 GLY A 40 -8.013 5.100 -7.629 1.00 4.30 H new ATOM 605 N GLN A 41 -7.521 5.835 -4.489 1.00 3.86 N ATOM 606 CA GLN A 41 -6.916 5.398 -3.227 1.00 3.74 C ATOM 607 C GLN A 41 -7.448 6.275 -2.094 1.00 3.60 C ATOM 608 O GLN A 41 -7.204 7.477 -2.074 1.00 3.46 O ATOM 609 CB GLN A 41 -5.374 5.506 -3.326 1.00 3.47 C ATOM 610 CG GLN A 41 -4.594 4.818 -2.204 1.00 3.68 C ATOM 611 CD GLN A 41 -4.514 3.311 -2.374 1.00 3.94 C ATOM 612 OE1 GLN A 41 -3.588 2.793 -2.998 1.00 4.34 O ATOM 613 NE2 GLN A 41 -5.488 2.600 -1.817 1.00 4.15 N ATOM 0 H GLN A 41 -7.725 6.834 -4.524 1.00 3.86 H new ATOM 0 HA GLN A 41 -7.175 4.359 -3.025 1.00 3.74 H new ATOM 0 HB2 GLN A 41 -5.058 5.081 -4.279 1.00 3.47 H new ATOM 0 HB3 GLN A 41 -5.101 6.561 -3.341 1.00 3.47 H new ATOM 0 HG2 GLN A 41 -3.585 5.228 -2.167 1.00 3.68 H new ATOM 0 HG3 GLN A 41 -5.066 5.046 -1.248 1.00 3.68 H new ATOM 0 HE21 GLN A 41 -6.236 3.071 -1.309 1.00 4.15 H new ATOM 0 HE22 GLN A 41 -5.487 1.583 -1.898 1.00 4.15 H new ATOM 622 N ASN A 42 -8.141 5.667 -1.134 1.00 3.76 N ATOM 623 CA ASN A 42 -8.709 6.416 -0.027 1.00 3.68 C ATOM 624 C ASN A 42 -7.882 6.226 1.267 1.00 3.53 C ATOM 625 O ASN A 42 -7.310 5.150 1.464 1.00 3.67 O ATOM 626 CB ASN A 42 -10.182 6.017 0.206 1.00 4.06 C ATOM 627 CG ASN A 42 -10.390 4.522 0.423 1.00 4.60 C ATOM 628 OD1 ASN A 42 -10.355 4.036 1.553 1.00 4.82 O ATOM 629 ND2 ASN A 42 -10.605 3.790 -0.664 1.00 5.19 N ATOM 0 H ASN A 42 -8.320 4.663 -1.104 1.00 3.76 H new ATOM 0 HA ASN A 42 -8.675 7.473 -0.292 1.00 3.68 H new ATOM 0 HB2 ASN A 42 -10.561 6.556 1.074 1.00 4.06 H new ATOM 0 HB3 ASN A 42 -10.775 6.336 -0.652 1.00 4.06 H new ATOM 0 HD21 ASN A 42 -10.749 2.784 -0.581 1.00 5.19 H new ATOM 0 HD22 ASN A 42 -10.626 4.234 -1.582 1.00 5.19 H new ATOM 636 N PRO A 43 -7.800 7.256 2.170 1.00 3.30 N ATOM 637 CA PRO A 43 -7.043 7.159 3.431 1.00 3.22 C ATOM 638 C PRO A 43 -7.882 6.603 4.593 1.00 3.54 C ATOM 639 O PRO A 43 -9.093 6.406 4.449 1.00 3.81 O ATOM 640 CB PRO A 43 -6.641 8.620 3.712 1.00 2.89 C ATOM 641 CG PRO A 43 -7.339 9.466 2.684 1.00 2.92 C ATOM 642 CD PRO A 43 -8.397 8.602 2.055 1.00 3.17 C ATOM 0 HA PRO A 43 -6.201 6.472 3.344 1.00 3.22 H new ATOM 0 HB2 PRO A 43 -6.934 8.915 4.720 1.00 2.89 H new ATOM 0 HB3 PRO A 43 -5.560 8.744 3.645 1.00 2.89 H new ATOM 0 HG2 PRO A 43 -7.784 10.347 3.146 1.00 2.92 H new ATOM 0 HG3 PRO A 43 -6.634 9.822 1.933 1.00 2.92 H new ATOM 0 HD2 PRO A 43 -9.349 8.673 2.582 1.00 3.17 H new ATOM 0 HD3 PRO A 43 -8.586 8.878 1.017 1.00 3.17 H new ATOM 650 N THR A 44 -7.225 6.355 5.742 1.00 3.56 N ATOM 651 CA THR A 44 -7.901 5.835 6.943 1.00 3.90 C ATOM 652 C THR A 44 -8.694 6.950 7.648 1.00 3.85 C ATOM 653 O THR A 44 -8.525 8.127 7.328 1.00 3.54 O ATOM 654 CB THR A 44 -6.895 5.204 7.941 1.00 4.01 C ATOM 655 OG1 THR A 44 -5.700 4.798 7.260 1.00 3.86 O ATOM 656 CG2 THR A 44 -7.506 3.995 8.640 1.00 4.50 C ATOM 0 H THR A 44 -6.224 6.507 5.862 1.00 3.56 H new ATOM 0 HA THR A 44 -8.588 5.057 6.611 1.00 3.90 H new ATOM 0 HB THR A 44 -6.651 5.961 8.687 1.00 4.01 H new ATOM 0 HG1 THR A 44 -5.021 4.537 7.917 1.00 3.86 H new ATOM 0 HG21 THR A 44 -6.781 3.571 9.334 1.00 4.50 H new ATOM 0 HG22 THR A 44 -8.396 4.303 9.189 1.00 4.50 H new ATOM 0 HG23 THR A 44 -7.779 3.245 7.898 1.00 4.50 H new ATOM 664 N GLU A 45 -9.554 6.565 8.601 1.00 4.21 N ATOM 665 CA GLU A 45 -10.402 7.519 9.337 1.00 4.27 C ATOM 666 C GLU A 45 -9.665 8.250 10.470 1.00 4.16 C ATOM 667 O GLU A 45 -9.887 9.447 10.678 1.00 4.02 O ATOM 668 CB GLU A 45 -11.630 6.801 9.907 1.00 4.73 C ATOM 669 CG GLU A 45 -12.667 6.429 8.857 1.00 4.87 C ATOM 670 CD GLU A 45 -13.856 5.694 9.446 1.00 5.41 C ATOM 671 OE1 GLU A 45 -13.794 4.451 9.548 1.00 5.67 O ATOM 672 OE2 GLU A 45 -14.848 6.363 9.806 1.00 5.89 O ATOM 0 H GLU A 45 -9.683 5.593 8.883 1.00 4.21 H new ATOM 0 HA GLU A 45 -10.703 8.278 8.614 1.00 4.27 H new ATOM 0 HB2 GLU A 45 -11.305 5.896 10.419 1.00 4.73 H new ATOM 0 HB3 GLU A 45 -12.098 7.440 10.656 1.00 4.73 H new ATOM 0 HG2 GLU A 45 -13.015 7.334 8.358 1.00 4.87 H new ATOM 0 HG3 GLU A 45 -12.200 5.805 8.095 1.00 4.87 H new ATOM 679 N ALA A 46 -8.795 7.533 11.193 1.00 4.29 N ATOM 680 CA ALA A 46 -8.060 8.113 12.328 1.00 4.30 C ATOM 681 C ALA A 46 -6.705 8.707 11.937 1.00 3.96 C ATOM 682 O ALA A 46 -6.277 9.706 12.521 1.00 3.93 O ATOM 683 CB ALA A 46 -7.859 7.063 13.409 1.00 4.70 C ATOM 0 H ALA A 46 -8.582 6.552 11.014 1.00 4.29 H new ATOM 0 HA ALA A 46 -8.671 8.935 12.701 1.00 4.30 H new ATOM 0 HB1 ALA A 46 -7.314 7.501 14.245 1.00 4.70 H new ATOM 0 HB2 ALA A 46 -8.829 6.707 13.755 1.00 4.70 H new ATOM 0 HB3 ALA A 46 -7.289 6.227 13.003 1.00 4.70 H new ATOM 689 N GLU A 47 -6.037 8.094 10.950 1.00 3.76 N ATOM 690 CA GLU A 47 -4.709 8.536 10.498 1.00 3.47 C ATOM 691 C GLU A 47 -4.700 9.942 9.901 1.00 3.09 C ATOM 692 O GLU A 47 -3.652 10.592 9.887 1.00 2.91 O ATOM 693 CB GLU A 47 -4.110 7.523 9.517 1.00 3.43 C ATOM 694 CG GLU A 47 -3.655 6.227 10.175 1.00 3.78 C ATOM 695 CD GLU A 47 -2.973 5.286 9.202 1.00 3.77 C ATOM 696 OE1 GLU A 47 -1.820 5.568 8.812 1.00 3.72 O ATOM 697 OE2 GLU A 47 -3.588 4.264 8.833 1.00 4.19 O ATOM 0 H GLU A 47 -6.398 7.284 10.446 1.00 3.76 H new ATOM 0 HA GLU A 47 -4.085 8.587 11.390 1.00 3.47 H new ATOM 0 HB2 GLU A 47 -4.850 7.291 8.751 1.00 3.43 H new ATOM 0 HB3 GLU A 47 -3.260 7.980 9.010 1.00 3.43 H new ATOM 0 HG2 GLU A 47 -2.970 6.459 10.990 1.00 3.78 H new ATOM 0 HG3 GLU A 47 -4.517 5.726 10.616 1.00 3.78 H new ATOM 704 N LEU A 48 -5.852 10.413 9.408 1.00 3.03 N ATOM 705 CA LEU A 48 -5.960 11.780 8.865 1.00 2.71 C ATOM 706 C LEU A 48 -5.661 12.806 9.952 1.00 2.75 C ATOM 707 O LEU A 48 -5.281 13.934 9.668 1.00 2.53 O ATOM 708 CB LEU A 48 -7.355 12.088 8.335 1.00 2.77 C ATOM 709 CG LEU A 48 -8.003 11.034 7.452 1.00 2.90 C ATOM 710 CD1 LEU A 48 -9.507 10.994 7.682 1.00 3.19 C ATOM 711 CD2 LEU A 48 -7.694 11.350 6.010 1.00 2.63 C ATOM 0 H LEU A 48 -6.718 9.876 9.372 1.00 3.03 H new ATOM 0 HA LEU A 48 -5.240 11.838 8.048 1.00 2.71 H new ATOM 0 HB2 LEU A 48 -8.010 12.266 9.188 1.00 2.77 H new ATOM 0 HB3 LEU A 48 -7.306 13.019 7.771 1.00 2.77 H new ATOM 0 HG LEU A 48 -7.603 10.052 7.703 1.00 2.90 H new ATOM 0 HD11 LEU A 48 -9.953 10.234 7.041 1.00 3.19 H new ATOM 0 HD12 LEU A 48 -9.709 10.753 8.726 1.00 3.19 H new ATOM 0 HD13 LEU A 48 -9.937 11.967 7.444 1.00 3.19 H new ATOM 0 HD21 LEU A 48 -8.154 10.600 5.367 1.00 2.63 H new ATOM 0 HD22 LEU A 48 -8.090 12.334 5.760 1.00 2.63 H new ATOM 0 HD23 LEU A 48 -6.614 11.344 5.860 1.00 2.63 H new ATOM 723 N GLN A 49 -5.894 12.396 11.197 1.00 3.08 N ATOM 724 CA GLN A 49 -5.648 13.237 12.365 1.00 3.22 C ATOM 725 C GLN A 49 -4.172 13.225 12.775 1.00 3.25 C ATOM 726 O GLN A 49 -3.646 14.263 13.175 1.00 3.25 O ATOM 727 CB GLN A 49 -6.512 12.777 13.544 1.00 3.61 C ATOM 728 CG GLN A 49 -7.988 13.121 13.398 1.00 3.67 C ATOM 729 CD GLN A 49 -8.814 12.651 14.580 1.00 4.10 C ATOM 730 OE1 GLN A 49 -8.992 13.379 15.557 1.00 4.58 O ATOM 731 NE2 GLN A 49 -9.323 11.427 14.496 1.00 4.30 N ATOM 0 H GLN A 49 -6.259 11.471 11.424 1.00 3.08 H new ATOM 0 HA GLN A 49 -5.915 14.258 12.091 1.00 3.22 H new ATOM 0 HB2 GLN A 49 -6.410 11.698 13.657 1.00 3.61 H new ATOM 0 HB3 GLN A 49 -6.132 13.231 14.459 1.00 3.61 H new ATOM 0 HG2 GLN A 49 -8.097 14.200 13.289 1.00 3.67 H new ATOM 0 HG3 GLN A 49 -8.375 12.668 12.485 1.00 3.67 H new ATOM 0 HE21 GLN A 49 -9.150 10.858 13.667 1.00 4.30 H new ATOM 0 HE22 GLN A 49 -9.887 11.056 15.260 1.00 4.30 H new ATOM 740 N ASP A 50 -3.512 12.053 12.682 1.00 3.34 N ATOM 741 CA ASP A 50 -2.099 11.933 13.075 1.00 3.43 C ATOM 742 C ASP A 50 -1.106 12.243 11.943 1.00 3.13 C ATOM 743 O ASP A 50 -0.165 13.012 12.146 1.00 3.13 O ATOM 744 CB ASP A 50 -1.807 10.556 13.646 1.00 3.76 C ATOM 745 CG ASP A 50 -2.520 10.297 14.962 1.00 4.11 C ATOM 746 OD1 ASP A 50 -3.661 9.788 14.929 1.00 4.38 O ATOM 747 OD2 ASP A 50 -1.937 10.603 16.023 1.00 4.38 O ATOM 0 H ASP A 50 -3.931 11.187 12.342 1.00 3.34 H new ATOM 0 HA ASP A 50 -1.950 12.694 13.841 1.00 3.43 H new ATOM 0 HB2 ASP A 50 -2.105 9.798 12.922 1.00 3.76 H new ATOM 0 HB3 ASP A 50 -0.732 10.450 13.794 1.00 3.76 H new ATOM 752 N MET A 51 -1.288 11.622 10.760 1.00 2.93 N ATOM 753 CA MET A 51 -0.383 11.848 9.603 1.00 2.66 C ATOM 754 C MET A 51 -0.427 13.294 9.172 1.00 2.39 C ATOM 755 O MET A 51 0.585 13.877 8.772 1.00 2.30 O ATOM 756 CB MET A 51 -0.739 10.941 8.419 1.00 2.59 C ATOM 757 CG MET A 51 -1.020 9.485 8.789 1.00 2.35 C ATOM 758 SD MET A 51 -1.696 8.500 7.423 1.00 2.18 S ATOM 759 CE MET A 51 -3.122 9.462 6.898 1.00 2.48 C ATOM 0 H MET A 51 -2.046 10.964 10.576 1.00 2.93 H new ATOM 0 HA MET A 51 0.627 11.599 9.927 1.00 2.66 H new ATOM 0 HB2 MET A 51 -1.616 11.350 7.917 1.00 2.59 H new ATOM 0 HB3 MET A 51 0.080 10.967 7.700 1.00 2.59 H new ATOM 0 HG2 MET A 51 -0.095 9.023 9.135 1.00 2.35 H new ATOM 0 HG3 MET A 51 -1.721 9.461 9.624 1.00 2.35 H new ATOM 0 HE1 MET A 51 -4.013 8.834 6.920 1.00 2.48 H new ATOM 0 HE2 MET A 51 -3.258 10.308 7.571 1.00 2.48 H new ATOM 0 HE3 MET A 51 -2.961 9.828 5.884 1.00 2.48 H new ATOM 769 N ILE A 52 -1.620 13.846 9.256 1.00 2.33 N ATOM 770 CA ILE A 52 -1.873 15.234 8.957 1.00 2.15 C ATOM 771 C ILE A 52 -1.331 16.101 10.084 1.00 2.40 C ATOM 772 O ILE A 52 -1.068 17.276 9.902 1.00 2.36 O ATOM 773 CB ILE A 52 -3.385 15.431 8.709 1.00 2.10 C ATOM 774 CG1 ILE A 52 -3.645 15.356 7.217 1.00 1.78 C ATOM 775 CG2 ILE A 52 -3.958 16.713 9.307 1.00 2.22 C ATOM 776 CD1 ILE A 52 -4.253 14.045 6.771 1.00 1.85 C ATOM 0 H ILE A 52 -2.453 13.331 9.539 1.00 2.33 H new ATOM 0 HA ILE A 52 -1.356 15.540 8.047 1.00 2.15 H new ATOM 0 HB ILE A 52 -3.907 14.629 9.231 1.00 2.10 H new ATOM 0 HG12 ILE A 52 -4.311 16.171 6.932 1.00 1.78 H new ATOM 0 HG13 ILE A 52 -2.706 15.510 6.685 1.00 1.78 H new ATOM 0 HG21 ILE A 52 -5.024 16.773 9.087 1.00 2.22 H new ATOM 0 HG22 ILE A 52 -3.810 16.708 10.387 1.00 2.22 H new ATOM 0 HG23 ILE A 52 -3.450 17.575 8.875 1.00 2.22 H new ATOM 0 HD11 ILE A 52 -4.410 14.065 5.693 1.00 1.85 H new ATOM 0 HD12 ILE A 52 -3.579 13.227 7.024 1.00 1.85 H new ATOM 0 HD13 ILE A 52 -5.208 13.897 7.274 1.00 1.85 H new ATOM 788 N ASN A 53 -1.155 15.477 11.243 1.00 2.72 N ATOM 789 CA ASN A 53 -0.607 16.136 12.417 1.00 3.03 C ATOM 790 C ASN A 53 0.885 16.284 12.281 1.00 3.09 C ATOM 791 O ASN A 53 1.557 16.949 13.065 1.00 3.36 O ATOM 792 CB ASN A 53 -0.964 15.335 13.670 1.00 3.37 C ATOM 793 CG ASN A 53 -0.696 16.073 14.974 1.00 3.66 C ATOM 794 OD1 ASN A 53 0.392 15.978 15.541 1.00 3.89 O ATOM 795 ND2 ASN A 53 -1.691 16.811 15.452 1.00 3.98 N ATOM 0 H ASN A 53 -1.390 14.496 11.393 1.00 2.72 H new ATOM 0 HA ASN A 53 -1.039 17.133 12.506 1.00 3.03 H new ATOM 0 HB2 ASN A 53 -2.019 15.065 13.628 1.00 3.37 H new ATOM 0 HB3 ASN A 53 -0.396 14.404 13.668 1.00 3.37 H new ATOM 0 HD21 ASN A 53 -1.570 17.328 16.323 1.00 3.98 H new ATOM 0 HD22 ASN A 53 -2.577 16.861 14.948 1.00 3.98 H new ATOM 802 N GLU A 54 1.359 15.576 11.314 1.00 2.90 N ATOM 803 CA GLU A 54 2.760 15.602 10.927 1.00 2.96 C ATOM 804 C GLU A 54 3.002 16.712 9.901 1.00 2.77 C ATOM 805 O GLU A 54 4.143 17.130 9.683 1.00 2.93 O ATOM 806 CB GLU A 54 3.179 14.247 10.343 1.00 2.91 C ATOM 807 CG GLU A 54 3.216 13.121 11.369 1.00 3.22 C ATOM 808 CD GLU A 54 3.587 11.785 10.756 1.00 3.25 C ATOM 809 OE1 GLU A 54 4.797 11.486 10.674 1.00 3.56 O ATOM 810 OE2 GLU A 54 2.668 11.038 10.358 1.00 3.40 O ATOM 0 H GLU A 54 0.788 14.946 10.750 1.00 2.90 H new ATOM 0 HA GLU A 54 3.362 15.801 11.814 1.00 2.96 H new ATOM 0 HB2 GLU A 54 2.488 13.976 9.545 1.00 2.91 H new ATOM 0 HB3 GLU A 54 4.166 14.346 9.890 1.00 2.91 H new ATOM 0 HG2 GLU A 54 3.934 13.370 12.150 1.00 3.22 H new ATOM 0 HG3 GLU A 54 2.240 13.038 11.848 1.00 3.22 H new ATOM 817 N VAL A 55 1.908 17.177 9.281 1.00 2.49 N ATOM 818 CA VAL A 55 1.977 18.228 8.261 1.00 2.36 C ATOM 819 C VAL A 55 1.044 19.411 8.535 1.00 2.40 C ATOM 820 O VAL A 55 1.313 20.524 8.070 1.00 2.49 O ATOM 821 CB VAL A 55 1.731 17.628 6.838 1.00 1.99 C ATOM 822 CG1 VAL A 55 1.484 18.697 5.770 1.00 2.37 C ATOM 823 CG2 VAL A 55 2.904 16.744 6.426 1.00 2.07 C ATOM 0 H VAL A 55 0.964 16.840 9.470 1.00 2.49 H new ATOM 0 HA VAL A 55 2.987 18.635 8.305 1.00 2.36 H new ATOM 0 HB VAL A 55 0.822 17.031 6.907 1.00 1.99 H new ATOM 0 HG11 VAL A 55 1.320 18.217 4.805 1.00 2.37 H new ATOM 0 HG12 VAL A 55 0.604 19.282 6.038 1.00 2.37 H new ATOM 0 HG13 VAL A 55 2.351 19.354 5.706 1.00 2.37 H new ATOM 0 HG21 VAL A 55 2.719 16.333 5.433 1.00 2.07 H new ATOM 0 HG22 VAL A 55 3.818 17.337 6.408 1.00 2.07 H new ATOM 0 HG23 VAL A 55 3.014 15.929 7.141 1.00 2.07 H new ATOM 833 N ALA A 56 -0.016 19.193 9.297 1.00 2.43 N ATOM 834 CA ALA A 56 -0.963 20.264 9.576 1.00 2.53 C ATOM 835 C ALA A 56 -0.754 20.746 10.996 1.00 2.90 C ATOM 836 O ALA A 56 -1.604 21.417 11.596 1.00 3.05 O ATOM 837 CB ALA A 56 -2.382 19.788 9.321 1.00 2.36 C ATOM 0 H ALA A 56 -0.242 18.297 9.729 1.00 2.43 H new ATOM 0 HA ALA A 56 -0.794 21.108 8.908 1.00 2.53 H new ATOM 0 HB1 ALA A 56 -3.081 20.597 9.533 1.00 2.36 H new ATOM 0 HB2 ALA A 56 -2.483 19.485 8.279 1.00 2.36 H new ATOM 0 HB3 ALA A 56 -2.603 18.939 9.968 1.00 2.36 H new ATOM 843 N ALA A 57 0.427 20.398 11.504 1.00 3.08 N ATOM 844 CA ALA A 57 0.842 20.760 12.840 1.00 3.45 C ATOM 845 C ALA A 57 1.589 22.073 12.846 1.00 3.67 C ATOM 846 O ALA A 57 2.322 22.394 11.906 1.00 3.69 O ATOM 847 CB ALA A 57 1.668 19.647 13.462 1.00 3.64 C ATOM 0 H ALA A 57 1.120 19.854 10.990 1.00 3.08 H new ATOM 0 HA ALA A 57 -0.052 20.896 13.449 1.00 3.45 H new ATOM 0 HB1 ALA A 57 1.971 19.938 14.468 1.00 3.64 H new ATOM 0 HB2 ALA A 57 1.072 18.736 13.512 1.00 3.64 H new ATOM 0 HB3 ALA A 57 2.554 19.468 12.853 1.00 3.64 H new ATOM 886 N GLY A 61 -4.688 25.127 12.394 1.00 3.52 N ATOM 887 CA GLY A 61 -5.691 24.125 12.738 1.00 3.44 C ATOM 888 C GLY A 61 -6.107 23.258 11.558 1.00 3.11 C ATOM 889 O GLY A 61 -6.947 22.366 11.714 1.00 3.10 O ATOM 0 HA2 GLY A 61 -5.299 23.486 13.529 1.00 3.44 H new ATOM 0 HA3 GLY A 61 -6.572 24.626 13.140 1.00 3.44 H new ATOM 893 N THR A 62 -5.522 23.518 10.382 1.00 2.91 N ATOM 894 CA THR A 62 -5.822 22.748 9.175 1.00 2.61 C ATOM 895 C THR A 62 -4.541 22.319 8.446 1.00 2.41 C ATOM 896 O THR A 62 -3.429 22.573 8.918 1.00 2.55 O ATOM 897 CB THR A 62 -6.770 23.504 8.216 1.00 2.62 C ATOM 898 OG1 THR A 62 -6.451 24.900 8.192 1.00 2.84 O ATOM 899 CG2 THR A 62 -8.218 23.309 8.645 1.00 2.75 C ATOM 0 H THR A 62 -4.836 24.260 10.244 1.00 2.91 H new ATOM 0 HA THR A 62 -6.343 21.849 9.505 1.00 2.61 H new ATOM 0 HB THR A 62 -6.640 23.099 7.213 1.00 2.62 H new ATOM 0 HG1 THR A 62 -7.151 25.387 7.709 1.00 2.84 H new ATOM 0 HG21 THR A 62 -8.875 23.846 7.962 1.00 2.75 H new ATOM 0 HG22 THR A 62 -8.464 22.247 8.625 1.00 2.75 H new ATOM 0 HG23 THR A 62 -8.353 23.694 9.656 1.00 2.75 H new ATOM 907 N ILE A 63 -4.725 21.690 7.283 1.00 2.14 N ATOM 908 CA ILE A 63 -3.647 21.140 6.477 1.00 1.93 C ATOM 909 C ILE A 63 -3.263 22.029 5.333 1.00 1.95 C ATOM 910 O ILE A 63 -4.115 22.495 4.601 1.00 1.99 O ATOM 911 CB ILE A 63 -4.035 19.860 5.726 1.00 1.63 C ATOM 912 CG1 ILE A 63 -5.504 19.441 5.940 1.00 1.70 C ATOM 913 CG2 ILE A 63 -3.081 18.678 5.949 1.00 1.51 C ATOM 914 CD1 ILE A 63 -5.809 18.842 7.299 1.00 1.95 C ATOM 0 H ILE A 63 -5.648 21.549 6.872 1.00 2.14 H new ATOM 0 HA ILE A 63 -2.862 20.994 7.220 1.00 1.93 H new ATOM 0 HB ILE A 63 -3.929 20.141 4.678 1.00 1.63 H new ATOM 0 HG12 ILE A 63 -6.140 20.314 5.794 1.00 1.70 H new ATOM 0 HG13 ILE A 63 -5.775 18.717 5.172 1.00 1.70 H new ATOM 0 HG21 ILE A 63 -3.431 17.816 5.381 1.00 1.51 H new ATOM 0 HG22 ILE A 63 -2.080 18.950 5.615 1.00 1.51 H new ATOM 0 HG23 ILE A 63 -3.054 18.427 7.009 1.00 1.51 H new ATOM 0 HD11 ILE A 63 -6.866 18.580 7.352 1.00 1.95 H new ATOM 0 HD12 ILE A 63 -5.205 17.947 7.446 1.00 1.95 H new ATOM 0 HD13 ILE A 63 -5.576 19.568 8.077 1.00 1.95 H new ATOM 926 N ASP A 64 -1.980 22.147 5.122 1.00 2.01 N ATOM 927 CA ASP A 64 -1.444 22.899 4.013 1.00 2.12 C ATOM 928 C ASP A 64 -1.048 21.911 2.911 1.00 1.86 C ATOM 929 O ASP A 64 -0.796 20.739 3.200 1.00 1.62 O ATOM 930 CB ASP A 64 -0.262 23.799 4.406 1.00 2.46 C ATOM 931 CG ASP A 64 0.748 23.133 5.332 1.00 2.46 C ATOM 932 OD1 ASP A 64 1.725 22.547 4.822 1.00 2.68 O ATOM 933 OD2 ASP A 64 0.557 23.199 6.565 1.00 2.74 O ATOM 0 H ASP A 64 -1.269 21.722 5.718 1.00 2.01 H new ATOM 0 HA ASP A 64 -2.215 23.581 3.655 1.00 2.12 H new ATOM 0 HB2 ASP A 64 0.251 24.123 3.500 1.00 2.46 H new ATOM 0 HB3 ASP A 64 -0.648 24.695 4.892 1.00 2.46 H new ATOM 938 N PHE A 65 -0.981 22.378 1.664 1.00 1.97 N ATOM 939 CA PHE A 65 -0.682 21.496 0.526 1.00 1.80 C ATOM 940 C PHE A 65 0.804 21.023 0.435 1.00 1.83 C ATOM 941 O PHE A 65 1.030 19.824 0.256 1.00 1.60 O ATOM 942 CB PHE A 65 -1.089 22.180 -0.793 1.00 2.04 C ATOM 943 CG PHE A 65 -1.189 21.243 -1.979 1.00 1.95 C ATOM 944 CD1 PHE A 65 -2.179 20.282 -2.025 1.00 2.40 C ATOM 945 CD2 PHE A 65 -0.305 21.334 -3.040 1.00 2.11 C ATOM 946 CE1 PHE A 65 -2.304 19.422 -3.090 1.00 2.45 C ATOM 947 CE2 PHE A 65 -0.414 20.476 -4.118 1.00 2.08 C ATOM 948 CZ PHE A 65 -1.415 19.518 -4.142 1.00 1.96 C ATOM 0 H PHE A 65 -1.128 23.356 1.413 1.00 1.97 H new ATOM 0 HA PHE A 65 -1.270 20.595 0.697 1.00 1.80 H new ATOM 0 HB2 PHE A 65 -2.052 22.671 -0.651 1.00 2.04 H new ATOM 0 HB3 PHE A 65 -0.364 22.961 -1.022 1.00 2.04 H new ATOM 0 HD1 PHE A 65 -2.874 20.204 -1.202 1.00 2.40 H new ATOM 0 HD2 PHE A 65 0.475 22.081 -3.025 1.00 2.11 H new ATOM 0 HE1 PHE A 65 -3.088 18.680 -3.104 1.00 2.45 H new ATOM 0 HE2 PHE A 65 0.281 20.552 -4.941 1.00 2.08 H new ATOM 0 HZ PHE A 65 -1.500 18.846 -4.984 1.00 1.96 H new ATOM 958 N PRO A 66 1.831 21.940 0.550 1.00 2.16 N ATOM 959 CA PRO A 66 3.281 21.609 0.414 1.00 2.30 C ATOM 960 C PRO A 66 3.763 20.254 0.989 1.00 2.09 C ATOM 961 O PRO A 66 4.323 19.446 0.244 1.00 2.04 O ATOM 962 CB PRO A 66 3.984 22.777 1.142 1.00 2.67 C ATOM 963 CG PRO A 66 2.898 23.670 1.657 1.00 2.78 C ATOM 964 CD PRO A 66 1.694 23.385 0.813 1.00 2.48 C ATOM 0 HA PRO A 66 3.513 21.493 -0.645 1.00 2.30 H new ATOM 0 HB2 PRO A 66 4.604 22.408 1.959 1.00 2.67 H new ATOM 0 HB3 PRO A 66 4.642 23.318 0.462 1.00 2.67 H new ATOM 0 HG2 PRO A 66 2.694 23.469 2.709 1.00 2.78 H new ATOM 0 HG3 PRO A 66 3.187 24.718 1.583 1.00 2.78 H new ATOM 0 HD2 PRO A 66 0.766 23.617 1.336 1.00 2.48 H new ATOM 0 HD3 PRO A 66 1.695 23.968 -0.108 1.00 2.48 H new ATOM 972 N GLU A 67 3.572 20.014 2.294 1.00 2.04 N ATOM 973 CA GLU A 67 4.031 18.768 2.925 1.00 1.95 C ATOM 974 C GLU A 67 3.012 17.646 2.920 1.00 1.60 C ATOM 975 O GLU A 67 3.335 16.487 3.200 1.00 1.59 O ATOM 976 CB GLU A 67 4.594 19.019 4.328 1.00 2.24 C ATOM 977 CG GLU A 67 5.937 19.735 4.333 1.00 2.61 C ATOM 978 CD GLU A 67 6.462 19.978 5.735 1.00 3.15 C ATOM 979 OE1 GLU A 67 6.144 21.038 6.313 1.00 3.47 O ATOM 980 OE2 GLU A 67 7.191 19.107 6.255 1.00 3.66 O ATOM 0 H GLU A 67 3.106 20.661 2.930 1.00 2.04 H new ATOM 0 HA GLU A 67 4.842 18.412 2.290 1.00 1.95 H new ATOM 0 HB2 GLU A 67 3.876 19.610 4.897 1.00 2.24 H new ATOM 0 HB3 GLU A 67 4.700 18.064 4.843 1.00 2.24 H new ATOM 0 HG2 GLU A 67 6.662 19.143 3.775 1.00 2.61 H new ATOM 0 HG3 GLU A 67 5.838 20.689 3.815 1.00 2.61 H new ATOM 987 N PHE A 68 1.797 18.006 2.610 1.00 1.40 N ATOM 988 CA PHE A 68 0.670 17.058 2.552 1.00 1.10 C ATOM 989 C PHE A 68 0.931 15.992 1.458 1.00 0.99 C ATOM 990 O PHE A 68 0.490 14.848 1.594 1.00 0.94 O ATOM 991 CB PHE A 68 -0.646 17.855 2.372 1.00 1.04 C ATOM 992 CG PHE A 68 -1.895 17.105 1.962 1.00 0.89 C ATOM 993 CD1 PHE A 68 -2.602 16.307 2.861 1.00 1.36 C ATOM 994 CD2 PHE A 68 -2.411 17.280 0.686 1.00 1.60 C ATOM 995 CE1 PHE A 68 -3.784 15.716 2.485 1.00 1.57 C ATOM 996 CE2 PHE A 68 -3.589 16.670 0.304 1.00 1.57 C ATOM 997 CZ PHE A 68 -4.282 15.890 1.203 1.00 1.15 C ATOM 0 H PHE A 68 1.538 18.967 2.386 1.00 1.40 H new ATOM 0 HA PHE A 68 0.571 16.499 3.483 1.00 1.10 H new ATOM 0 HB2 PHE A 68 -0.858 18.362 3.313 1.00 1.04 H new ATOM 0 HB3 PHE A 68 -0.465 18.630 1.627 1.00 1.04 H new ATOM 0 HD1 PHE A 68 -2.218 16.153 3.859 1.00 1.36 H new ATOM 0 HD2 PHE A 68 -1.882 17.904 -0.020 1.00 1.60 H new ATOM 0 HE1 PHE A 68 -4.330 15.111 3.194 1.00 1.57 H new ATOM 0 HE2 PHE A 68 -3.967 16.804 -0.699 1.00 1.57 H new ATOM 0 HZ PHE A 68 -5.208 15.417 0.911 1.00 1.15 H new ATOM 1007 N LEU A 69 1.652 16.385 0.379 1.00 1.15 N ATOM 1008 CA LEU A 69 2.033 15.445 -0.702 1.00 1.24 C ATOM 1009 C LEU A 69 3.291 14.659 -0.343 1.00 1.42 C ATOM 1010 O LEU A 69 3.436 13.498 -0.734 1.00 1.53 O ATOM 1011 CB LEU A 69 2.286 16.121 -2.056 1.00 1.51 C ATOM 1012 CG LEU A 69 1.626 17.468 -2.301 1.00 1.59 C ATOM 1013 CD1 LEU A 69 2.624 18.569 -2.038 1.00 1.82 C ATOM 1014 CD2 LEU A 69 1.129 17.548 -3.725 1.00 1.76 C ATOM 0 H LEU A 69 1.979 17.340 0.235 1.00 1.15 H new ATOM 0 HA LEU A 69 1.170 14.786 -0.799 1.00 1.24 H new ATOM 0 HB2 LEU A 69 3.362 16.247 -2.173 1.00 1.51 H new ATOM 0 HB3 LEU A 69 1.958 15.438 -2.840 1.00 1.51 H new ATOM 0 HG LEU A 69 0.776 17.583 -1.628 1.00 1.59 H new ATOM 0 HD11 LEU A 69 2.153 19.536 -2.213 1.00 1.82 H new ATOM 0 HD12 LEU A 69 2.964 18.513 -1.004 1.00 1.82 H new ATOM 0 HD13 LEU A 69 3.477 18.454 -2.707 1.00 1.82 H new ATOM 0 HD21 LEU A 69 0.657 18.516 -3.892 1.00 1.76 H new ATOM 0 HD22 LEU A 69 1.968 17.430 -4.410 1.00 1.76 H new ATOM 0 HD23 LEU A 69 0.402 16.755 -3.902 1.00 1.76 H new ATOM 1026 N THR A 70 4.215 15.309 0.384 1.00 1.58 N ATOM 1027 CA THR A 70 5.487 14.670 0.783 1.00 1.88 C ATOM 1028 C THR A 70 5.239 13.491 1.721 1.00 1.87 C ATOM 1029 O THR A 70 5.962 12.491 1.682 1.00 2.04 O ATOM 1030 CB THR A 70 6.470 15.658 1.454 1.00 2.19 C ATOM 1031 OG1 THR A 70 5.827 16.353 2.525 1.00 2.14 O ATOM 1032 CG2 THR A 70 7.016 16.661 0.445 1.00 2.80 C ATOM 0 H THR A 70 4.109 16.271 0.707 1.00 1.58 H new ATOM 0 HA THR A 70 5.946 14.316 -0.140 1.00 1.88 H new ATOM 0 HB THR A 70 7.303 15.078 1.851 1.00 2.19 H new ATOM 0 HG1 THR A 70 4.929 15.986 2.661 1.00 2.14 H new ATOM 0 HG21 THR A 70 7.704 17.343 0.945 1.00 2.80 H new ATOM 0 HG22 THR A 70 7.543 16.130 -0.347 1.00 2.80 H new ATOM 0 HG23 THR A 70 6.192 17.229 0.014 1.00 2.80 H new ATOM 1040 N MET A 71 4.208 13.631 2.559 1.00 1.77 N ATOM 1041 CA MET A 71 3.803 12.581 3.493 1.00 1.91 C ATOM 1042 C MET A 71 2.925 11.533 2.781 1.00 1.83 C ATOM 1043 O MET A 71 2.841 10.387 3.222 1.00 2.06 O ATOM 1044 CB MET A 71 3.087 13.185 4.722 1.00 2.01 C ATOM 1045 CG MET A 71 1.829 13.999 4.410 1.00 2.31 C ATOM 1046 SD MET A 71 0.363 12.966 4.277 1.00 2.07 S ATOM 1047 CE MET A 71 -0.427 13.307 5.847 1.00 1.57 C ATOM 0 H MET A 71 3.634 14.473 2.608 1.00 1.77 H new ATOM 0 HA MET A 71 4.697 12.073 3.854 1.00 1.91 H new ATOM 0 HB2 MET A 71 2.817 12.375 5.399 1.00 2.01 H new ATOM 0 HB3 MET A 71 3.791 13.824 5.254 1.00 2.01 H new ATOM 0 HG2 MET A 71 1.677 14.743 5.192 1.00 2.31 H new ATOM 0 HG3 MET A 71 1.973 14.543 3.477 1.00 2.31 H new ATOM 0 HE1 MET A 71 -1.388 12.795 5.889 1.00 1.57 H new ATOM 0 HE2 MET A 71 0.209 12.953 6.659 1.00 1.57 H new ATOM 0 HE3 MET A 71 -0.583 14.381 5.950 1.00 1.57 H new ATOM 1057 N MET A 72 2.301 11.954 1.658 1.00 1.61 N ATOM 1058 CA MET A 72 1.415 11.103 0.836 1.00 1.69 C ATOM 1059 C MET A 72 2.051 9.755 0.457 1.00 1.97 C ATOM 1060 O MET A 72 1.343 8.753 0.324 1.00 2.17 O ATOM 1061 CB MET A 72 1.007 11.858 -0.435 1.00 1.60 C ATOM 1062 CG MET A 72 -0.307 12.611 -0.306 1.00 1.46 C ATOM 1063 SD MET A 72 -1.742 11.525 -0.338 1.00 1.69 S ATOM 1064 CE MET A 72 -3.045 12.720 -0.629 1.00 1.53 C ATOM 0 H MET A 72 2.400 12.902 1.295 1.00 1.61 H new ATOM 0 HA MET A 72 0.539 10.878 1.445 1.00 1.69 H new ATOM 0 HB2 MET A 72 1.795 12.564 -0.696 1.00 1.60 H new ATOM 0 HB3 MET A 72 0.929 11.148 -1.259 1.00 1.60 H new ATOM 0 HG2 MET A 72 -0.306 13.176 0.626 1.00 1.46 H new ATOM 0 HG3 MET A 72 -0.387 13.334 -1.118 1.00 1.46 H new ATOM 0 HE1 MET A 72 -3.769 12.305 -1.331 1.00 1.53 H new ATOM 0 HE2 MET A 72 -3.543 12.951 0.312 1.00 1.53 H new ATOM 0 HE3 MET A 72 -2.616 13.631 -1.046 1.00 1.53 H new ATOM 1207 N SER A 81 0.910 -3.592 -0.201 1.00 3.49 N ATOM 1208 CA SER A 81 0.825 -5.021 0.096 1.00 3.36 C ATOM 1209 C SER A 81 2.117 -5.774 -0.240 1.00 2.88 C ATOM 1210 O SER A 81 2.351 -6.873 0.272 1.00 2.79 O ATOM 1211 CB SER A 81 -0.355 -5.648 -0.652 1.00 3.71 C ATOM 1212 OG SER A 81 -0.278 -5.387 -2.044 1.00 4.35 O ATOM 0 HA SER A 81 0.671 -5.112 1.171 1.00 3.36 H new ATOM 0 HB2 SER A 81 -0.366 -6.725 -0.481 1.00 3.71 H new ATOM 0 HB3 SER A 81 -1.291 -5.253 -0.257 1.00 3.71 H new ATOM 0 HG SER A 81 0.187 -4.537 -2.192 1.00 4.35 H new ATOM 1218 N GLU A 82 2.941 -5.171 -1.099 1.00 2.97 N ATOM 1219 CA GLU A 82 4.217 -5.768 -1.531 1.00 3.25 C ATOM 1220 C GLU A 82 5.339 -5.495 -0.538 1.00 3.85 C ATOM 1221 O GLU A 82 6.313 -6.243 -0.457 1.00 4.27 O ATOM 1222 CB GLU A 82 4.617 -5.232 -2.903 1.00 3.94 C ATOM 1223 CG GLU A 82 3.747 -5.736 -4.046 1.00 4.12 C ATOM 1224 CD GLU A 82 4.196 -5.212 -5.396 1.00 4.93 C ATOM 1225 OE1 GLU A 82 5.051 -5.863 -6.032 1.00 5.51 O ATOM 1226 OE2 GLU A 82 3.692 -4.150 -5.818 1.00 5.25 O ATOM 0 H GLU A 82 2.749 -4.260 -1.516 1.00 2.97 H new ATOM 0 HA GLU A 82 4.064 -6.846 -1.584 1.00 3.25 H new ATOM 0 HB2 GLU A 82 4.575 -4.143 -2.882 1.00 3.94 H new ATOM 0 HB3 GLU A 82 5.653 -5.507 -3.101 1.00 3.94 H new ATOM 0 HG2 GLU A 82 3.766 -6.826 -4.059 1.00 4.12 H new ATOM 0 HG3 GLU A 82 2.714 -5.437 -3.870 1.00 4.12 H new ATOM 1233 N GLU A 83 5.199 -4.396 0.184 1.00 4.18 N ATOM 1234 CA GLU A 83 6.164 -4.003 1.217 1.00 5.12 C ATOM 1235 C GLU A 83 5.906 -4.799 2.507 1.00 5.33 C ATOM 1236 O GLU A 83 6.799 -4.951 3.345 1.00 6.21 O ATOM 1237 CB GLU A 83 6.065 -2.497 1.490 1.00 5.53 C ATOM 1238 CG GLU A 83 7.368 -1.866 1.963 1.00 5.74 C ATOM 1239 CD GLU A 83 7.230 -0.382 2.242 1.00 6.48 C ATOM 1240 OE1 GLU A 83 7.448 0.420 1.310 1.00 6.88 O ATOM 1241 OE2 GLU A 83 6.903 -0.023 3.393 1.00 6.89 O ATOM 0 H GLU A 83 4.419 -3.748 0.077 1.00 4.18 H new ATOM 0 HA GLU A 83 7.171 -4.225 0.863 1.00 5.12 H new ATOM 0 HB2 GLU A 83 5.739 -1.994 0.580 1.00 5.53 H new ATOM 0 HB3 GLU A 83 5.296 -2.324 2.242 1.00 5.53 H new ATOM 0 HG2 GLU A 83 7.705 -2.372 2.868 1.00 5.74 H new ATOM 0 HG3 GLU A 83 8.137 -2.020 1.206 1.00 5.74 H new ATOM 1248 N GLU A 84 4.666 -5.296 2.637 1.00 4.72 N ATOM 1249 CA GLU A 84 4.233 -6.075 3.801 1.00 5.16 C ATOM 1250 C GLU A 84 4.590 -7.567 3.688 1.00 4.87 C ATOM 1251 O GLU A 84 4.881 -8.204 4.704 1.00 5.53 O ATOM 1252 CB GLU A 84 2.723 -5.919 4.004 1.00 5.11 C ATOM 1253 CG GLU A 84 2.305 -4.541 4.501 1.00 5.77 C ATOM 1254 CD GLU A 84 0.807 -4.426 4.709 1.00 6.38 C ATOM 1255 OE1 GLU A 84 0.340 -4.709 5.832 1.00 6.86 O ATOM 1256 OE2 GLU A 84 0.102 -4.051 3.749 1.00 6.68 O ATOM 0 H GLU A 84 3.937 -5.167 1.936 1.00 4.72 H new ATOM 0 HA GLU A 84 4.771 -5.680 4.663 1.00 5.16 H new ATOM 0 HB2 GLU A 84 2.217 -6.123 3.060 1.00 5.11 H new ATOM 0 HB3 GLU A 84 2.383 -6.670 4.717 1.00 5.11 H new ATOM 0 HG2 GLU A 84 2.816 -4.327 5.440 1.00 5.77 H new ATOM 0 HG3 GLU A 84 2.627 -3.787 3.783 1.00 5.77 H new ATOM 1263 N ILE A 85 4.563 -8.126 2.455 1.00 3.98 N ATOM 1264 CA ILE A 85 4.877 -9.557 2.224 1.00 3.69 C ATOM 1265 C ILE A 85 6.247 -9.952 2.718 1.00 4.63 C ATOM 1266 O ILE A 85 6.386 -10.939 3.441 1.00 5.03 O ATOM 1267 CB ILE A 85 4.669 -10.012 0.756 1.00 2.77 C ATOM 1268 CG1 ILE A 85 5.168 -8.984 -0.277 1.00 3.16 C ATOM 1269 CG2 ILE A 85 3.195 -10.304 0.536 1.00 1.99 C ATOM 1270 CD1 ILE A 85 6.591 -9.216 -0.741 1.00 3.97 C ATOM 0 H ILE A 85 4.328 -7.610 1.607 1.00 3.98 H new ATOM 0 HA ILE A 85 4.144 -10.091 2.828 1.00 3.69 H new ATOM 0 HB ILE A 85 5.268 -10.910 0.603 1.00 2.77 H new ATOM 0 HG12 ILE A 85 4.507 -9.005 -1.143 1.00 3.16 H new ATOM 0 HG13 ILE A 85 5.096 -7.986 0.155 1.00 3.16 H new ATOM 0 HG21 ILE A 85 3.037 -10.625 -0.494 1.00 1.99 H new ATOM 0 HG22 ILE A 85 2.875 -11.094 1.215 1.00 1.99 H new ATOM 0 HG23 ILE A 85 2.613 -9.403 0.728 1.00 1.99 H new ATOM 0 HD11 ILE A 85 6.866 -8.451 -1.467 1.00 3.97 H new ATOM 0 HD12 ILE A 85 7.265 -9.165 0.114 1.00 3.97 H new ATOM 0 HD13 ILE A 85 6.667 -10.200 -1.205 1.00 3.97 H new ATOM 1282 N ARG A 86 7.241 -9.162 2.370 1.00 5.19 N ATOM 1283 CA ARG A 86 8.615 -9.397 2.827 1.00 6.32 C ATOM 1284 C ARG A 86 8.678 -9.444 4.343 1.00 7.11 C ATOM 1285 O ARG A 86 9.587 -10.044 4.925 1.00 7.98 O ATOM 1286 CB ARG A 86 9.523 -8.262 2.406 1.00 6.99 C ATOM 1287 CG ARG A 86 10.223 -8.488 1.076 1.00 7.36 C ATOM 1288 CD ARG A 86 11.215 -7.377 0.772 1.00 8.25 C ATOM 1289 NE ARG A 86 11.919 -7.600 -0.497 1.00 8.76 N ATOM 1290 CZ ARG A 86 12.894 -6.815 -0.978 1.00 9.65 C ATOM 1291 NH1 ARG A 86 13.304 -5.738 -0.310 1.00 10.08 N ATOM 1292 NH2 ARG A 86 13.461 -7.112 -2.139 1.00 10.26 N ATOM 0 H ARG A 86 7.133 -8.345 1.769 1.00 5.19 H new ATOM 0 HA ARG A 86 8.932 -10.343 2.387 1.00 6.32 H new ATOM 0 HB2 ARG A 86 8.936 -7.345 2.344 1.00 6.99 H new ATOM 0 HB3 ARG A 86 10.276 -8.107 3.179 1.00 6.99 H new ATOM 0 HG2 ARG A 86 10.743 -9.446 1.096 1.00 7.36 H new ATOM 0 HG3 ARG A 86 9.482 -8.544 0.279 1.00 7.36 H new ATOM 0 HD2 ARG A 86 10.690 -6.423 0.732 1.00 8.25 H new ATOM 0 HD3 ARG A 86 11.941 -7.308 1.582 1.00 8.25 H new ATOM 0 HE ARG A 86 11.647 -8.411 -1.053 1.00 8.76 H new ATOM 0 HH11 ARG A 86 12.875 -5.498 0.584 1.00 10.08 H new ATOM 0 HH12 ARG A 86 14.047 -5.153 -0.692 1.00 10.08 H new ATOM 0 HH21 ARG A 86 13.155 -7.933 -2.661 1.00 10.26 H new ATOM 0 HH22 ARG A 86 14.203 -6.519 -2.511 1.00 10.26 H new ATOM 1306 N GLU A 87 7.687 -8.798 4.963 1.00 6.95 N ATOM 1307 CA GLU A 87 7.641 -8.692 6.406 1.00 7.91 C ATOM 1308 C GLU A 87 6.962 -9.895 7.069 1.00 7.97 C ATOM 1309 O GLU A 87 7.360 -10.333 8.152 1.00 8.94 O ATOM 1310 CB GLU A 87 6.948 -7.395 6.837 1.00 8.02 C ATOM 1311 CG GLU A 87 7.791 -6.146 6.624 1.00 8.75 C ATOM 1312 CD GLU A 87 7.086 -4.882 7.077 1.00 9.11 C ATOM 1313 OE1 GLU A 87 6.398 -4.255 6.244 1.00 9.62 O ATOM 1314 OE2 GLU A 87 7.222 -4.520 8.265 1.00 9.05 O ATOM 0 H GLU A 87 6.911 -8.344 4.481 1.00 6.95 H new ATOM 0 HA GLU A 87 8.677 -8.678 6.745 1.00 7.91 H new ATOM 0 HB2 GLU A 87 6.015 -7.291 6.282 1.00 8.02 H new ATOM 0 HB3 GLU A 87 6.685 -7.468 7.892 1.00 8.02 H new ATOM 0 HG2 GLU A 87 8.730 -6.249 7.168 1.00 8.75 H new ATOM 0 HG3 GLU A 87 8.043 -6.058 5.567 1.00 8.75 H new ATOM 1321 N ALA A 88 5.934 -10.409 6.388 1.00 7.00 N ATOM 1322 CA ALA A 88 5.122 -11.537 6.873 1.00 7.06 C ATOM 1323 C ALA A 88 5.805 -12.887 6.701 1.00 7.01 C ATOM 1324 O ALA A 88 5.826 -13.690 7.618 1.00 7.73 O ATOM 1325 CB ALA A 88 3.795 -11.563 6.157 1.00 6.21 C ATOM 0 H ALA A 88 5.637 -10.055 5.479 1.00 7.00 H new ATOM 0 HA ALA A 88 4.982 -11.377 7.942 1.00 7.06 H new ATOM 0 HB1 ALA A 88 3.201 -12.401 6.522 1.00 6.21 H new ATOM 0 HB2 ALA A 88 3.262 -10.631 6.345 1.00 6.21 H new ATOM 0 HB3 ALA A 88 3.962 -11.676 5.086 1.00 6.21 H new ATOM 1331 N PHE A 89 6.291 -13.158 5.492 1.00 6.21 N ATOM 1332 CA PHE A 89 7.014 -14.400 5.165 1.00 6.21 C ATOM 1333 C PHE A 89 8.047 -14.840 6.221 1.00 7.49 C ATOM 1334 O PHE A 89 8.460 -15.999 6.236 1.00 7.70 O ATOM 1335 CB PHE A 89 7.637 -14.243 3.785 1.00 5.56 C ATOM 1336 CG PHE A 89 6.599 -14.386 2.726 1.00 4.24 C ATOM 1337 CD1 PHE A 89 6.452 -15.585 2.070 1.00 3.84 C ATOM 1338 CD2 PHE A 89 5.721 -13.345 2.432 1.00 3.79 C ATOM 1339 CE1 PHE A 89 5.470 -15.753 1.147 1.00 2.77 C ATOM 1340 CE2 PHE A 89 4.744 -13.503 1.499 1.00 2.72 C ATOM 1341 CZ PHE A 89 4.617 -14.719 0.853 1.00 1.93 C ATOM 0 H PHE A 89 6.197 -12.521 4.701 1.00 6.21 H new ATOM 0 HA PHE A 89 6.289 -15.214 5.164 1.00 6.21 H new ATOM 0 HB2 PHE A 89 8.116 -13.267 3.704 1.00 5.56 H new ATOM 0 HB3 PHE A 89 8.416 -14.993 3.643 1.00 5.56 H new ATOM 0 HD1 PHE A 89 7.124 -16.401 2.291 1.00 3.84 H new ATOM 0 HD2 PHE A 89 5.817 -12.402 2.950 1.00 3.79 H new ATOM 0 HE1 PHE A 89 5.360 -16.702 0.643 1.00 2.77 H new ATOM 0 HE2 PHE A 89 4.075 -12.688 1.265 1.00 2.72 H new ATOM 0 HZ PHE A 89 3.842 -14.856 0.113 1.00 1.93 H new ATOM 1351 N ARG A 90 8.453 -13.917 7.099 1.00 8.36 N ATOM 1352 CA ARG A 90 9.384 -14.235 8.186 1.00 9.63 C ATOM 1353 C ARG A 90 8.652 -14.963 9.336 1.00 10.20 C ATOM 1354 O ARG A 90 9.287 -15.441 10.279 1.00 11.20 O ATOM 1355 CB ARG A 90 10.050 -12.957 8.714 1.00 10.38 C ATOM 1356 CG ARG A 90 11.105 -12.382 7.779 1.00 10.73 C ATOM 1357 CD ARG A 90 11.730 -11.121 8.355 1.00 11.51 C ATOM 1358 NE ARG A 90 12.764 -10.567 7.474 1.00 12.01 N ATOM 1359 CZ ARG A 90 13.533 -9.508 7.769 1.00 12.77 C ATOM 1360 NH1 ARG A 90 13.403 -8.864 8.928 1.00 13.10 N ATOM 1361 NH2 ARG A 90 14.439 -9.092 6.895 1.00 13.29 N ATOM 0 H ARG A 90 8.151 -12.943 7.078 1.00 8.36 H new ATOM 0 HA ARG A 90 10.155 -14.896 7.790 1.00 9.63 H new ATOM 0 HB2 ARG A 90 9.282 -12.203 8.887 1.00 10.38 H new ATOM 0 HB3 ARG A 90 10.510 -13.170 9.679 1.00 10.38 H new ATOM 0 HG2 ARG A 90 11.881 -13.127 7.602 1.00 10.73 H new ATOM 0 HG3 ARG A 90 10.653 -12.157 6.813 1.00 10.73 H new ATOM 0 HD2 ARG A 90 10.954 -10.373 8.517 1.00 11.51 H new ATOM 0 HD3 ARG A 90 12.166 -11.345 9.329 1.00 11.51 H new ATOM 0 HE ARG A 90 12.909 -11.020 6.572 1.00 12.01 H new ATOM 0 HH11 ARG A 90 12.710 -9.174 9.609 1.00 13.10 H new ATOM 0 HH12 ARG A 90 13.997 -8.061 9.135 1.00 13.10 H new ATOM 0 HH21 ARG A 90 14.548 -9.577 6.004 1.00 13.29 H new ATOM 0 HH22 ARG A 90 15.027 -8.287 7.113 1.00 13.29 H new ATOM 1375 N VAL A 91 7.307 -15.026 9.245 1.00 9.66 N ATOM 1376 CA VAL A 91 6.475 -15.675 10.232 1.00 10.29 C ATOM 1377 C VAL A 91 6.033 -17.068 9.785 1.00 9.81 C ATOM 1378 O VAL A 91 6.063 -18.023 10.566 1.00 10.52 O ATOM 1379 CB VAL A 91 5.186 -14.882 10.534 1.00 10.33 C ATOM 1380 CG1 VAL A 91 4.843 -14.927 12.017 1.00 11.64 C ATOM 1381 CG2 VAL A 91 5.230 -13.445 10.037 1.00 9.85 C ATOM 0 H VAL A 91 6.781 -14.619 8.471 1.00 9.66 H new ATOM 0 HA VAL A 91 7.101 -15.734 11.122 1.00 10.29 H new ATOM 0 HB VAL A 91 4.394 -15.379 9.974 1.00 10.33 H new ATOM 0 HG11 VAL A 91 3.930 -14.359 12.197 1.00 11.64 H new ATOM 0 HG12 VAL A 91 4.693 -15.962 12.325 1.00 11.64 H new ATOM 0 HG13 VAL A 91 5.660 -14.492 12.593 1.00 11.64 H new ATOM 0 HG21 VAL A 91 4.292 -12.946 10.283 1.00 9.85 H new ATOM 0 HG22 VAL A 91 6.057 -12.920 10.515 1.00 9.85 H new ATOM 0 HG23 VAL A 91 5.373 -13.438 8.956 1.00 9.85 H new ATOM 1391 N PHE A 92 5.627 -17.155 8.519 1.00 8.63 N ATOM 1392 CA PHE A 92 5.079 -18.395 7.950 1.00 8.08 C ATOM 1393 C PHE A 92 6.024 -19.165 7.034 1.00 7.58 C ATOM 1394 O PHE A 92 5.909 -20.391 6.934 1.00 7.57 O ATOM 1395 CB PHE A 92 3.856 -18.088 7.084 1.00 7.14 C ATOM 1396 CG PHE A 92 2.870 -17.087 7.622 1.00 7.60 C ATOM 1397 CD1 PHE A 92 3.054 -15.723 7.428 1.00 7.95 C ATOM 1398 CD2 PHE A 92 1.715 -17.521 8.245 1.00 7.88 C ATOM 1399 CE1 PHE A 92 2.105 -14.821 7.850 1.00 8.45 C ATOM 1400 CE2 PHE A 92 0.769 -16.621 8.683 1.00 8.39 C ATOM 1401 CZ PHE A 92 0.960 -15.267 8.483 1.00 8.62 C ATOM 0 H PHE A 92 5.666 -16.377 7.860 1.00 8.63 H new ATOM 0 HA PHE A 92 4.862 -19.002 8.829 1.00 8.08 H new ATOM 0 HB2 PHE A 92 4.208 -17.730 6.116 1.00 7.14 H new ATOM 0 HB3 PHE A 92 3.325 -19.023 6.904 1.00 7.14 H new ATOM 0 HD1 PHE A 92 3.950 -15.368 6.941 1.00 7.95 H new ATOM 0 HD2 PHE A 92 1.552 -18.579 8.390 1.00 7.88 H new ATOM 0 HE1 PHE A 92 2.255 -13.764 7.687 1.00 8.45 H new ATOM 0 HE2 PHE A 92 -0.121 -16.973 9.182 1.00 8.39 H new ATOM 0 HZ PHE A 92 0.217 -14.560 8.820 1.00 8.62 H new ATOM 1411 N ALA A 93 6.949 -18.472 6.373 1.00 7.32 N ATOM 1412 CA ALA A 93 7.827 -19.126 5.404 1.00 7.11 C ATOM 1413 C ALA A 93 9.055 -19.818 6.041 1.00 8.33 C ATOM 1414 O ALA A 93 10.205 -19.573 5.663 1.00 8.83 O ATOM 1415 CB ALA A 93 8.190 -18.130 4.297 1.00 6.22 C ATOM 0 H ALA A 93 7.109 -17.471 6.488 1.00 7.32 H new ATOM 0 HA ALA A 93 7.279 -19.954 4.955 1.00 7.11 H new ATOM 0 HB1 ALA A 93 8.845 -18.614 3.572 1.00 6.22 H new ATOM 0 HB2 ALA A 93 7.281 -17.794 3.797 1.00 6.22 H new ATOM 0 HB3 ALA A 93 8.702 -17.272 4.733 1.00 6.22 H new ATOM 1421 N LYS A 94 8.763 -20.689 7.022 1.00 8.92 N ATOM 1422 CA LYS A 94 9.746 -21.514 7.715 1.00 10.13 C ATOM 1423 C LYS A 94 9.247 -22.962 7.779 1.00 10.64 C ATOM 1424 O LYS A 94 8.590 -23.368 8.748 1.00 11.32 O ATOM 1425 CB LYS A 94 10.032 -20.974 9.128 1.00 10.90 C ATOM 1426 CG LYS A 94 11.366 -20.227 9.261 1.00 11.36 C ATOM 1427 CD LYS A 94 11.544 -19.142 8.196 1.00 11.16 C ATOM 1428 CE LYS A 94 10.734 -17.896 8.497 1.00 10.61 C ATOM 1429 NZ LYS A 94 11.257 -17.153 9.678 1.00 11.01 N ATOM 0 H LYS A 94 7.811 -20.836 7.357 1.00 8.92 H new ATOM 0 HA LYS A 94 10.682 -21.482 7.158 1.00 10.13 H new ATOM 0 HB2 LYS A 94 9.223 -20.304 9.419 1.00 10.90 H new ATOM 0 HB3 LYS A 94 10.024 -21.807 9.831 1.00 10.90 H new ATOM 0 HG2 LYS A 94 11.426 -19.773 10.250 1.00 11.36 H new ATOM 0 HG3 LYS A 94 12.186 -20.941 9.187 1.00 11.36 H new ATOM 0 HD2 LYS A 94 12.599 -18.877 8.124 1.00 11.16 H new ATOM 0 HD3 LYS A 94 11.248 -19.538 7.225 1.00 11.16 H new ATOM 0 HE2 LYS A 94 10.742 -17.241 7.626 1.00 10.61 H new ATOM 0 HE3 LYS A 94 9.696 -18.175 8.677 1.00 10.61 H new ATOM 0 HZ1 LYS A 94 10.737 -16.259 9.784 1.00 11.01 H new ATOM 0 HZ2 LYS A 94 11.132 -17.730 10.534 1.00 11.01 H new ATOM 0 HZ3 LYS A 94 12.268 -16.951 9.541 1.00 11.01 H new ATOM 1443 N ASP A 95 9.542 -23.731 6.724 1.00 10.41 N ATOM 1444 CA ASP A 95 9.102 -25.117 6.634 1.00 10.95 C ATOM 1445 C ASP A 95 10.214 -26.130 6.903 1.00 11.36 C ATOM 1446 O ASP A 95 10.108 -27.307 6.530 1.00 11.72 O ATOM 1447 CB ASP A 95 8.422 -25.377 5.284 1.00 10.75 C ATOM 1448 CG ASP A 95 7.038 -24.762 5.210 1.00 10.79 C ATOM 1449 OD1 ASP A 95 6.941 -23.554 4.907 1.00 11.08 O ATOM 1450 OD2 ASP A 95 6.051 -25.488 5.452 1.00 10.72 O ATOM 0 H ASP A 95 10.085 -23.410 5.922 1.00 10.41 H new ATOM 0 HA ASP A 95 8.374 -25.265 7.432 1.00 10.95 H new ATOM 0 HB2 ASP A 95 9.041 -24.971 4.484 1.00 10.75 H new ATOM 0 HB3 ASP A 95 8.349 -26.452 5.117 1.00 10.75 H new ATOM 1455 N GLY A 96 11.261 -25.671 7.570 1.00 11.41 N ATOM 1456 CA GLY A 96 12.377 -26.551 7.905 1.00 11.89 C ATOM 1457 C GLY A 96 13.593 -26.360 7.042 1.00 11.67 C ATOM 1458 O GLY A 96 14.414 -25.467 7.264 1.00 11.82 O ATOM 0 H GLY A 96 11.365 -24.707 7.888 1.00 11.41 H new ATOM 0 HA2 GLY A 96 12.655 -26.387 8.946 1.00 11.89 H new ATOM 0 HA3 GLY A 96 12.046 -27.586 7.823 1.00 11.89 H new ATOM 1462 N ASN A 97 13.675 -27.247 6.051 1.00 11.48 N ATOM 1463 CA ASN A 97 14.753 -27.322 5.058 1.00 11.39 C ATOM 1464 C ASN A 97 15.158 -25.970 4.475 1.00 11.24 C ATOM 1465 O ASN A 97 16.316 -25.762 4.099 1.00 11.69 O ATOM 1466 CB ASN A 97 14.254 -28.231 3.952 1.00 10.47 C ATOM 1467 CG ASN A 97 15.279 -29.267 3.534 1.00 10.82 C ATOM 1468 OD1 ASN A 97 15.334 -30.362 4.093 1.00 11.12 O ATOM 1469 ND2 ASN A 97 16.096 -28.925 2.545 1.00 10.95 N ATOM 0 H ASN A 97 12.964 -27.964 5.910 1.00 11.48 H new ATOM 0 HA ASN A 97 15.651 -27.701 5.547 1.00 11.39 H new ATOM 0 HB2 ASN A 97 13.348 -28.737 4.285 1.00 10.47 H new ATOM 0 HB3 ASN A 97 13.982 -27.627 3.087 1.00 10.47 H new ATOM 0 HD21 ASN A 97 16.806 -29.581 2.220 1.00 10.95 H new ATOM 0 HD22 ASN A 97 16.014 -28.006 2.111 1.00 10.95 H new ATOM 1476 N GLY A 98 14.190 -25.076 4.418 1.00 10.71 N ATOM 1477 CA GLY A 98 14.406 -23.745 3.889 1.00 10.57 C ATOM 1478 C GLY A 98 13.738 -23.541 2.547 1.00 9.35 C ATOM 1479 O GLY A 98 13.999 -22.545 1.877 1.00 9.23 O ATOM 0 H GLY A 98 13.237 -25.251 4.736 1.00 10.71 H new ATOM 0 HA2 GLY A 98 14.024 -23.009 4.597 1.00 10.57 H new ATOM 0 HA3 GLY A 98 15.477 -23.566 3.790 1.00 10.57 H new ATOM 1483 N TYR A 99 12.869 -24.490 2.158 1.00 8.53 N ATOM 1484 CA TYR A 99 12.143 -24.424 0.895 1.00 7.35 C ATOM 1485 C TYR A 99 10.942 -23.503 0.993 1.00 6.60 C ATOM 1486 O TYR A 99 10.749 -22.666 0.125 1.00 6.68 O ATOM 1487 CB TYR A 99 11.654 -25.814 0.462 1.00 7.03 C ATOM 1488 CG TYR A 99 12.297 -26.338 -0.799 1.00 7.42 C ATOM 1489 CD1 TYR A 99 11.709 -26.153 -2.062 1.00 7.29 C ATOM 1490 CD2 TYR A 99 13.500 -27.028 -0.726 1.00 8.16 C ATOM 1491 CE1 TYR A 99 12.320 -26.645 -3.200 1.00 7.85 C ATOM 1492 CE2 TYR A 99 14.110 -27.519 -1.864 1.00 8.71 C ATOM 1493 CZ TYR A 99 13.517 -27.325 -3.096 1.00 8.53 C ATOM 1494 OH TYR A 99 14.125 -27.813 -4.230 1.00 9.21 O ATOM 0 H TYR A 99 12.656 -25.318 2.714 1.00 8.53 H new ATOM 0 HA TYR A 99 12.841 -24.033 0.155 1.00 7.35 H new ATOM 0 HB2 TYR A 99 11.842 -26.520 1.271 1.00 7.03 H new ATOM 0 HB3 TYR A 99 10.574 -25.776 0.316 1.00 7.03 H new ATOM 0 HD1 TYR A 99 10.772 -25.622 -2.144 1.00 7.29 H new ATOM 0 HD2 TYR A 99 13.966 -27.183 0.236 1.00 8.16 H new ATOM 0 HE1 TYR A 99 11.863 -26.498 -4.167 1.00 7.85 H new ATOM 0 HE2 TYR A 99 15.046 -28.052 -1.791 1.00 8.71 H new ATOM 0 HH TYR A 99 14.959 -28.265 -3.985 1.00 9.21 H new ATOM 1504 N ILE A 100 10.151 -23.641 2.079 1.00 6.19 N ATOM 1505 CA ILE A 100 8.927 -22.840 2.288 1.00 5.73 C ATOM 1506 C ILE A 100 7.784 -23.474 1.482 1.00 4.64 C ATOM 1507 O ILE A 100 7.712 -23.312 0.258 1.00 4.17 O ATOM 1508 CB ILE A 100 9.123 -21.321 1.901 1.00 5.84 C ATOM 1509 CG1 ILE A 100 10.028 -20.578 2.906 1.00 5.96 C ATOM 1510 CG2 ILE A 100 7.787 -20.583 1.795 1.00 5.70 C ATOM 1511 CD1 ILE A 100 11.481 -21.022 2.965 1.00 6.65 C ATOM 0 H ILE A 100 10.341 -24.305 2.829 1.00 6.19 H new ATOM 0 HA ILE A 100 8.684 -22.848 3.351 1.00 5.73 H new ATOM 0 HB ILE A 100 9.608 -21.324 0.925 1.00 5.84 H new ATOM 0 HG12 ILE A 100 10.005 -19.515 2.665 1.00 5.96 H new ATOM 0 HG13 ILE A 100 9.596 -20.689 3.901 1.00 5.96 H new ATOM 0 HG21 ILE A 100 7.967 -19.542 1.527 1.00 5.70 H new ATOM 0 HG22 ILE A 100 7.171 -21.054 1.029 1.00 5.70 H new ATOM 0 HG23 ILE A 100 7.270 -20.627 2.754 1.00 5.70 H new ATOM 0 HD11 ILE A 100 12.014 -20.427 3.707 1.00 6.65 H new ATOM 0 HD12 ILE A 100 11.529 -22.075 3.243 1.00 6.65 H new ATOM 0 HD13 ILE A 100 11.944 -20.883 1.988 1.00 6.65 H new ATOM 1523 N SER A 101 6.902 -24.202 2.180 1.00 4.56 N ATOM 1524 CA SER A 101 5.780 -24.888 1.546 1.00 3.87 C ATOM 1525 C SER A 101 4.719 -23.923 1.035 1.00 3.18 C ATOM 1526 O SER A 101 4.568 -22.809 1.545 1.00 3.33 O ATOM 1527 CB SER A 101 5.153 -25.912 2.491 1.00 4.59 C ATOM 1528 OG SER A 101 6.139 -26.754 3.065 1.00 5.48 O ATOM 0 H SER A 101 6.949 -24.328 3.191 1.00 4.56 H new ATOM 0 HA SER A 101 6.188 -25.411 0.681 1.00 3.87 H new ATOM 0 HB2 SER A 101 4.608 -25.395 3.281 1.00 4.59 H new ATOM 0 HB3 SER A 101 4.428 -26.516 1.946 1.00 4.59 H new ATOM 0 HG SER A 101 5.710 -27.398 3.666 1.00 5.48 H new ATOM 1534 N ALA A 102 3.991 -24.384 0.016 1.00 2.74 N ATOM 1535 CA ALA A 102 2.934 -23.594 -0.633 1.00 2.63 C ATOM 1536 C ALA A 102 1.676 -23.416 0.228 1.00 3.39 C ATOM 1537 O ALA A 102 0.868 -22.525 -0.039 1.00 3.61 O ATOM 1538 CB ALA A 102 2.558 -24.235 -1.958 1.00 3.06 C ATOM 0 H ALA A 102 4.115 -25.314 -0.385 1.00 2.74 H new ATOM 0 HA ALA A 102 3.346 -22.597 -0.787 1.00 2.63 H new ATOM 0 HB1 ALA A 102 1.775 -23.648 -2.437 1.00 3.06 H new ATOM 0 HB2 ALA A 102 3.433 -24.270 -2.607 1.00 3.06 H new ATOM 0 HB3 ALA A 102 2.196 -25.248 -1.782 1.00 3.06 H new ATOM 1544 N ALA A 103 1.527 -24.253 1.264 1.00 4.09 N ATOM 1545 CA ALA A 103 0.354 -24.219 2.155 1.00 5.20 C ATOM 1546 C ALA A 103 0.208 -22.910 2.951 1.00 5.47 C ATOM 1547 O ALA A 103 -0.906 -22.552 3.344 1.00 6.33 O ATOM 1548 CB ALA A 103 0.405 -25.399 3.113 1.00 5.96 C ATOM 0 H ALA A 103 2.211 -24.969 1.509 1.00 4.09 H new ATOM 0 HA ALA A 103 -0.522 -24.280 1.509 1.00 5.20 H new ATOM 0 HB1 ALA A 103 -0.464 -25.371 3.771 1.00 5.96 H new ATOM 0 HB2 ALA A 103 0.401 -26.329 2.545 1.00 5.96 H new ATOM 0 HB3 ALA A 103 1.315 -25.343 3.711 1.00 5.96 H new ATOM 1554 N GLU A 104 1.324 -22.204 3.185 1.00 4.91 N ATOM 1555 CA GLU A 104 1.302 -20.953 3.961 1.00 5.33 C ATOM 1556 C GLU A 104 0.994 -19.714 3.111 1.00 4.76 C ATOM 1557 O GLU A 104 0.244 -18.849 3.555 1.00 5.38 O ATOM 1558 CB GLU A 104 2.627 -20.741 4.705 1.00 5.44 C ATOM 1559 CG GLU A 104 2.896 -21.753 5.818 1.00 6.31 C ATOM 1560 CD GLU A 104 2.106 -21.471 7.085 1.00 6.92 C ATOM 1561 OE1 GLU A 104 2.633 -20.763 7.968 1.00 7.26 O ATOM 1562 OE2 GLU A 104 0.961 -21.959 7.191 1.00 7.37 O ATOM 0 H GLU A 104 2.249 -22.475 2.851 1.00 4.91 H new ATOM 0 HA GLU A 104 0.488 -21.069 4.677 1.00 5.33 H new ATOM 0 HB2 GLU A 104 3.445 -20.785 3.985 1.00 5.44 H new ATOM 0 HB3 GLU A 104 2.633 -19.739 5.133 1.00 5.44 H new ATOM 0 HG2 GLU A 104 2.650 -22.752 5.459 1.00 6.31 H new ATOM 0 HG3 GLU A 104 3.960 -21.751 6.053 1.00 6.31 H new ATOM 1569 N LEU A 105 1.591 -19.630 1.905 1.00 3.64 N ATOM 1570 CA LEU A 105 1.423 -18.489 0.972 1.00 3.09 C ATOM 1571 C LEU A 105 0.017 -17.959 0.849 1.00 4.03 C ATOM 1572 O LEU A 105 -0.206 -16.754 0.974 1.00 4.13 O ATOM 1573 CB LEU A 105 1.879 -18.871 -0.437 1.00 2.35 C ATOM 1574 CG LEU A 105 3.221 -19.615 -0.548 1.00 1.65 C ATOM 1575 CD1 LEU A 105 3.357 -20.271 -1.909 1.00 2.00 C ATOM 1576 CD2 LEU A 105 4.386 -18.670 -0.289 1.00 1.38 C ATOM 0 H LEU A 105 2.209 -20.357 1.545 1.00 3.64 H new ATOM 0 HA LEU A 105 2.037 -17.703 1.412 1.00 3.09 H new ATOM 0 HB2 LEU A 105 1.106 -19.493 -0.888 1.00 2.35 H new ATOM 0 HB3 LEU A 105 1.944 -17.961 -1.033 1.00 2.35 H new ATOM 0 HG LEU A 105 3.241 -20.395 0.213 1.00 1.65 H new ATOM 0 HD11 LEU A 105 4.313 -20.792 -1.968 1.00 2.00 H new ATOM 0 HD12 LEU A 105 2.545 -20.984 -2.052 1.00 2.00 H new ATOM 0 HD13 LEU A 105 3.311 -19.509 -2.687 1.00 2.00 H new ATOM 0 HD21 LEU A 105 5.325 -19.218 -0.373 1.00 1.38 H new ATOM 0 HD22 LEU A 105 4.370 -17.863 -1.022 1.00 1.38 H new ATOM 0 HD23 LEU A 105 4.299 -18.251 0.713 1.00 1.38 H new ATOM 1588 N ARG A 106 -0.919 -18.852 0.583 1.00 4.83 N ATOM 1589 CA ARG A 106 -2.313 -18.464 0.410 1.00 5.95 C ATOM 1590 C ARG A 106 -2.865 -17.854 1.683 1.00 6.65 C ATOM 1591 O ARG A 106 -3.862 -17.146 1.666 1.00 7.39 O ATOM 1592 CB ARG A 106 -3.194 -19.648 -0.003 1.00 6.81 C ATOM 1593 CG ARG A 106 -2.751 -20.381 -1.271 1.00 6.46 C ATOM 1594 CD ARG A 106 -1.791 -21.508 -0.959 1.00 5.99 C ATOM 1595 NE ARG A 106 -1.578 -22.388 -2.113 1.00 6.40 N ATOM 1596 CZ ARG A 106 -1.266 -23.690 -2.033 1.00 6.89 C ATOM 1597 NH1 ARG A 106 -1.122 -24.292 -0.854 1.00 7.08 N ATOM 1598 NH2 ARG A 106 -1.096 -24.393 -3.144 1.00 7.37 N ATOM 0 H ARG A 106 -0.742 -19.851 0.481 1.00 4.83 H new ATOM 0 HA ARG A 106 -2.333 -17.725 -0.391 1.00 5.95 H new ATOM 0 HB2 ARG A 106 -3.222 -20.363 0.819 1.00 6.81 H new ATOM 0 HB3 ARG A 106 -4.213 -19.289 -0.148 1.00 6.81 H new ATOM 0 HG2 ARG A 106 -3.625 -20.780 -1.785 1.00 6.46 H new ATOM 0 HG3 ARG A 106 -2.275 -19.675 -1.952 1.00 6.46 H new ATOM 0 HD2 ARG A 106 -0.835 -21.092 -0.640 1.00 5.99 H new ATOM 0 HD3 ARG A 106 -2.178 -22.093 -0.125 1.00 5.99 H new ATOM 0 HE ARG A 106 -1.674 -21.981 -3.043 1.00 6.40 H new ATOM 0 HH11 ARG A 106 -1.249 -23.762 0.008 1.00 7.08 H new ATOM 0 HH12 ARG A 106 -0.885 -25.283 -0.813 1.00 7.08 H new ATOM 0 HH21 ARG A 106 -1.203 -23.943 -4.053 1.00 7.37 H new ATOM 0 HH22 ARG A 106 -0.859 -25.383 -3.089 1.00 7.37 H new ATOM 1612 N HIS A 107 -2.226 -18.206 2.780 1.00 6.60 N ATOM 1613 CA HIS A 107 -2.547 -17.666 4.077 1.00 7.43 C ATOM 1614 C HIS A 107 -1.692 -16.422 4.348 1.00 6.90 C ATOM 1615 O HIS A 107 -2.065 -15.593 5.179 1.00 7.61 O ATOM 1616 CB HIS A 107 -2.332 -18.710 5.178 1.00 8.00 C ATOM 1617 CG HIS A 107 -3.329 -19.829 5.157 1.00 8.87 C ATOM 1618 ND1 HIS A 107 -4.416 -19.886 6.005 1.00 9.79 N ATOM 1619 CD2 HIS A 107 -3.398 -20.942 4.386 1.00 9.07 C ATOM 1620 CE1 HIS A 107 -5.108 -20.984 5.758 1.00 10.41 C ATOM 1621 NE2 HIS A 107 -4.512 -21.641 4.781 1.00 10.03 N ATOM 0 H HIS A 107 -1.462 -18.882 2.792 1.00 6.60 H new ATOM 0 HA HIS A 107 -3.600 -17.386 4.083 1.00 7.43 H new ATOM 0 HB2 HIS A 107 -1.330 -19.127 5.079 1.00 8.00 H new ATOM 0 HB3 HIS A 107 -2.376 -18.215 6.148 1.00 8.00 H new ATOM 0 HD2 HIS A 107 -2.706 -21.226 3.607 1.00 9.07 H new ATOM 0 HE1 HIS A 107 -6.008 -21.292 6.269 1.00 10.41 H new ATOM 0 HE2 HIS A 107 -4.828 -22.526 4.383 1.00 10.03 H new ATOM 1630 N VAL A 108 -0.535 -16.298 3.641 1.00 5.69 N ATOM 1631 CA VAL A 108 0.353 -15.153 3.817 1.00 5.20 C ATOM 1632 C VAL A 108 -0.052 -13.982 2.941 1.00 4.84 C ATOM 1633 O VAL A 108 -0.428 -12.934 3.456 1.00 5.36 O ATOM 1634 CB VAL A 108 1.843 -15.536 3.543 1.00 4.27 C ATOM 1635 CG1 VAL A 108 2.783 -14.360 3.777 1.00 4.16 C ATOM 1636 CG2 VAL A 108 2.276 -16.743 4.357 1.00 4.80 C ATOM 0 H VAL A 108 -0.212 -16.979 2.954 1.00 5.69 H new ATOM 0 HA VAL A 108 0.260 -14.845 4.859 1.00 5.20 H new ATOM 0 HB VAL A 108 1.906 -15.807 2.489 1.00 4.27 H new ATOM 0 HG11 VAL A 108 3.809 -14.668 3.576 1.00 4.16 H new ATOM 0 HG12 VAL A 108 2.513 -13.540 3.111 1.00 4.16 H new ATOM 0 HG13 VAL A 108 2.700 -14.029 4.812 1.00 4.16 H new ATOM 0 HG21 VAL A 108 3.318 -16.976 4.137 1.00 4.80 H new ATOM 0 HG22 VAL A 108 2.170 -16.522 5.419 1.00 4.80 H new ATOM 0 HG23 VAL A 108 1.651 -17.598 4.100 1.00 4.80 H new ATOM 1646 N MET A 109 0.034 -14.165 1.629 1.00 4.11 N ATOM 1647 CA MET A 109 -0.370 -13.126 0.673 1.00 4.08 C ATOM 1648 C MET A 109 -1.785 -12.647 0.974 1.00 5.33 C ATOM 1649 O MET A 109 -2.089 -11.459 0.829 1.00 5.53 O ATOM 1650 CB MET A 109 -0.239 -13.626 -0.754 1.00 3.81 C ATOM 1651 CG MET A 109 1.199 -13.529 -1.262 1.00 2.70 C ATOM 1652 SD MET A 109 1.348 -13.788 -3.036 1.00 3.27 S ATOM 1653 CE MET A 109 1.005 -15.535 -3.133 1.00 3.46 C ATOM 0 H MET A 109 0.379 -15.022 1.197 1.00 4.11 H new ATOM 0 HA MET A 109 0.300 -12.273 0.781 1.00 4.08 H new ATOM 0 HB2 MET A 109 -0.574 -14.662 -0.808 1.00 3.81 H new ATOM 0 HB3 MET A 109 -0.894 -13.045 -1.404 1.00 3.81 H new ATOM 0 HG2 MET A 109 1.600 -12.547 -1.011 1.00 2.70 H new ATOM 0 HG3 MET A 109 1.811 -14.266 -0.742 1.00 2.70 H new ATOM 0 HE1 MET A 109 1.882 -16.057 -3.514 1.00 3.46 H new ATOM 0 HE2 MET A 109 0.760 -15.913 -2.141 1.00 3.46 H new ATOM 0 HE3 MET A 109 0.162 -15.704 -3.804 1.00 3.46 H new ATOM 1663 N THR A 110 -2.649 -13.590 1.394 1.00 6.20 N ATOM 1664 CA THR A 110 -4.003 -13.245 1.830 1.00 7.45 C ATOM 1665 C THR A 110 -3.951 -12.487 3.176 1.00 7.80 C ATOM 1666 O THR A 110 -4.802 -11.632 3.433 1.00 8.54 O ATOM 1667 CB THR A 110 -4.877 -14.506 1.970 1.00 8.32 C ATOM 1668 OG1 THR A 110 -4.881 -15.213 0.724 1.00 8.16 O ATOM 1669 CG2 THR A 110 -6.322 -14.181 2.355 1.00 9.65 C ATOM 0 H THR A 110 -2.431 -14.585 1.438 1.00 6.20 H new ATOM 0 HA THR A 110 -4.450 -12.601 1.072 1.00 7.45 H new ATOM 0 HB THR A 110 -4.449 -15.112 2.769 1.00 8.32 H new ATOM 0 HG1 THR A 110 -4.130 -15.842 0.702 1.00 8.16 H new ATOM 0 HG21 THR A 110 -6.893 -15.106 2.440 1.00 9.65 H new ATOM 0 HG22 THR A 110 -6.335 -13.658 3.311 1.00 9.65 H new ATOM 0 HG23 THR A 110 -6.769 -13.548 1.589 1.00 9.65 H new ATOM 1677 N ASN A 111 -2.949 -12.811 4.036 1.00 7.42 N ATOM 1678 CA ASN A 111 -2.790 -12.127 5.336 1.00 8.00 C ATOM 1679 C ASN A 111 -2.492 -10.621 5.164 1.00 7.57 C ATOM 1680 O ASN A 111 -3.015 -9.799 5.922 1.00 8.26 O ATOM 1681 CB ASN A 111 -1.676 -12.787 6.160 1.00 7.98 C ATOM 1682 CG ASN A 111 -1.871 -12.618 7.657 1.00 9.16 C ATOM 1683 OD1 ASN A 111 -1.398 -11.649 8.251 1.00 9.84 O ATOM 1684 ND2 ASN A 111 -2.569 -13.564 8.275 1.00 9.58 N ATOM 0 H ASN A 111 -2.251 -13.532 3.851 1.00 7.42 H new ATOM 0 HA ASN A 111 -3.737 -12.223 5.867 1.00 8.00 H new ATOM 0 HB2 ASN A 111 -1.635 -13.850 5.921 1.00 7.98 H new ATOM 0 HB3 ASN A 111 -0.716 -12.359 5.873 1.00 7.98 H new ATOM 0 HD21 ASN A 111 -2.731 -13.504 9.280 1.00 9.58 H new ATOM 0 HD22 ASN A 111 -2.943 -14.351 7.744 1.00 9.58 H new ATOM 1691 N LEU A 112 -1.653 -10.273 4.168 1.00 6.48 N ATOM 1692 CA LEU A 112 -1.296 -8.876 3.896 1.00 6.02 C ATOM 1693 C LEU A 112 -2.339 -8.196 3.015 1.00 6.50 C ATOM 1694 O LEU A 112 -2.796 -7.090 3.321 1.00 6.87 O ATOM 1695 CB LEU A 112 0.095 -8.748 3.227 1.00 4.81 C ATOM 1696 CG LEU A 112 1.320 -9.310 3.988 1.00 4.44 C ATOM 1697 CD1 LEU A 112 1.358 -8.850 5.446 1.00 4.55 C ATOM 1698 CD2 LEU A 112 1.354 -10.826 3.902 1.00 4.77 C ATOM 0 H LEU A 112 -1.212 -10.945 3.540 1.00 6.48 H new ATOM 0 HA LEU A 112 -1.262 -8.378 4.865 1.00 6.02 H new ATOM 0 HB2 LEU A 112 0.047 -9.245 2.258 1.00 4.81 H new ATOM 0 HB3 LEU A 112 0.277 -7.691 3.035 1.00 4.81 H new ATOM 0 HG LEU A 112 2.211 -8.910 3.503 1.00 4.44 H new ATOM 0 HD11 LEU A 112 2.235 -9.270 5.937 1.00 4.55 H new ATOM 0 HD12 LEU A 112 1.408 -7.762 5.483 1.00 4.55 H new ATOM 0 HD13 LEU A 112 0.458 -9.190 5.958 1.00 4.55 H new ATOM 0 HD21 LEU A 112 2.222 -11.202 4.443 1.00 4.77 H new ATOM 0 HD22 LEU A 112 0.446 -11.236 4.344 1.00 4.77 H new ATOM 0 HD23 LEU A 112 1.418 -11.130 2.857 1.00 4.77 H new ATOM 1710 N GLY A 113 -2.705 -8.874 1.922 1.00 6.67 N ATOM 1711 CA GLY A 113 -3.687 -8.340 0.988 1.00 7.40 C ATOM 1712 C GLY A 113 -5.110 -8.727 1.332 1.00 8.34 C ATOM 1713 O GLY A 113 -5.401 -9.903 1.566 1.00 8.64 O ATOM 0 H GLY A 113 -2.334 -9.790 1.668 1.00 6.67 H new ATOM 0 HA2 GLY A 113 -3.607 -7.253 0.969 1.00 7.40 H new ATOM 0 HA3 GLY A 113 -3.454 -8.694 -0.016 1.00 7.40 H new ATOM 1717 N GLU A 114 -5.994 -7.725 1.352 1.00 8.94 N ATOM 1718 CA GLU A 114 -7.414 -7.929 1.659 1.00 10.00 C ATOM 1719 C GLU A 114 -8.202 -8.282 0.404 1.00 10.47 C ATOM 1720 O GLU A 114 -9.204 -9.001 0.465 1.00 11.33 O ATOM 1721 CB GLU A 114 -8.008 -6.672 2.298 1.00 10.43 C ATOM 1722 CG GLU A 114 -7.525 -6.410 3.717 1.00 10.39 C ATOM 1723 CD GLU A 114 -8.117 -5.146 4.310 1.00 11.02 C ATOM 1724 OE1 GLU A 114 -9.189 -5.233 4.943 1.00 11.20 O ATOM 1725 OE2 GLU A 114 -7.507 -4.070 4.140 1.00 11.47 O ATOM 0 H GLU A 114 -5.748 -6.754 1.157 1.00 8.94 H new ATOM 0 HA GLU A 114 -7.485 -8.760 2.361 1.00 10.00 H new ATOM 0 HB2 GLU A 114 -7.762 -5.811 1.677 1.00 10.43 H new ATOM 0 HB3 GLU A 114 -9.094 -6.760 2.306 1.00 10.43 H new ATOM 0 HG2 GLU A 114 -7.785 -7.260 4.348 1.00 10.39 H new ATOM 0 HG3 GLU A 114 -6.438 -6.333 3.718 1.00 10.39 H new ATOM 1732 N LYS A 115 -7.728 -7.761 -0.724 1.00 10.04 N ATOM 1733 CA LYS A 115 -8.347 -7.995 -2.032 1.00 10.61 C ATOM 1734 C LYS A 115 -7.741 -9.202 -2.723 1.00 10.14 C ATOM 1735 O LYS A 115 -8.412 -9.925 -3.466 1.00 10.70 O ATOM 1736 CB LYS A 115 -8.186 -6.765 -2.936 1.00 11.03 C ATOM 1737 CG LYS A 115 -6.733 -6.283 -3.032 1.00 10.36 C ATOM 1738 CD LYS A 115 -6.555 -4.867 -2.482 1.00 10.71 C ATOM 1739 CE LYS A 115 -6.675 -4.828 -0.960 1.00 10.61 C ATOM 1740 NZ LYS A 115 -6.818 -3.438 -0.446 1.00 10.83 N ATOM 0 H LYS A 115 -6.902 -7.163 -0.761 1.00 10.04 H new ATOM 0 HA LYS A 115 -9.406 -8.184 -1.858 1.00 10.61 H new ATOM 0 HB2 LYS A 115 -8.551 -7.004 -3.935 1.00 11.03 H new ATOM 0 HB3 LYS A 115 -8.808 -5.955 -2.554 1.00 11.03 H new ATOM 0 HG2 LYS A 115 -6.088 -6.968 -2.482 1.00 10.36 H new ATOM 0 HG3 LYS A 115 -6.412 -6.309 -4.073 1.00 10.36 H new ATOM 0 HD2 LYS A 115 -5.580 -4.482 -2.779 1.00 10.71 H new ATOM 0 HD3 LYS A 115 -7.305 -4.210 -2.922 1.00 10.71 H new ATOM 0 HE2 LYS A 115 -7.536 -5.420 -0.649 1.00 10.61 H new ATOM 0 HE3 LYS A 115 -5.794 -5.290 -0.515 1.00 10.61 H new ATOM 0 HZ1 LYS A 115 -6.896 -3.458 0.591 1.00 10.83 H new ATOM 0 HZ2 LYS A 115 -5.985 -2.879 -0.720 1.00 10.83 H new ATOM 0 HZ3 LYS A 115 -7.673 -3.005 -0.850 1.00 10.83 H new ATOM 1754 N LEU A 116 -6.460 -9.390 -2.451 1.00 9.19 N ATOM 1755 CA LEU A 116 -5.668 -10.461 -3.024 1.00 8.69 C ATOM 1756 C LEU A 116 -6.157 -11.842 -2.560 1.00 9.07 C ATOM 1757 O LEU A 116 -6.166 -12.135 -1.358 1.00 9.05 O ATOM 1758 CB LEU A 116 -4.214 -10.256 -2.626 1.00 7.40 C ATOM 1759 CG LEU A 116 -3.495 -9.067 -3.292 1.00 6.84 C ATOM 1760 CD1 LEU A 116 -2.367 -8.554 -2.408 1.00 6.44 C ATOM 1761 CD2 LEU A 116 -2.945 -9.451 -4.659 1.00 6.43 C ATOM 0 H LEU A 116 -5.934 -8.791 -1.814 1.00 9.19 H new ATOM 0 HA LEU A 116 -5.771 -10.432 -4.109 1.00 8.69 H new ATOM 0 HB2 LEU A 116 -4.169 -10.124 -1.545 1.00 7.40 H new ATOM 0 HB3 LEU A 116 -3.662 -11.166 -2.859 1.00 7.40 H new ATOM 0 HG LEU A 116 -4.230 -8.273 -3.425 1.00 6.84 H new ATOM 0 HD11 LEU A 116 -1.874 -7.715 -2.898 1.00 6.44 H new ATOM 0 HD12 LEU A 116 -2.774 -8.227 -1.451 1.00 6.44 H new ATOM 0 HD13 LEU A 116 -1.644 -9.352 -2.241 1.00 6.44 H new ATOM 0 HD21 LEU A 116 -2.443 -8.592 -5.104 1.00 6.43 H new ATOM 0 HD22 LEU A 116 -2.233 -10.269 -4.548 1.00 6.43 H new ATOM 0 HD23 LEU A 116 -3.764 -9.767 -5.305 1.00 6.43 H new ATOM 1773 N THR A 117 -6.569 -12.671 -3.520 1.00 9.56 N ATOM 1774 CA THR A 117 -7.079 -14.000 -3.237 1.00 10.01 C ATOM 1775 C THR A 117 -6.092 -15.106 -3.500 1.00 9.24 C ATOM 1776 O THR A 117 -4.920 -14.891 -3.799 1.00 8.29 O ATOM 1777 CB THR A 117 -8.342 -14.337 -4.047 1.00 11.26 C ATOM 1778 OG1 THR A 117 -8.210 -13.886 -5.402 1.00 11.46 O ATOM 1779 CG2 THR A 117 -9.538 -13.707 -3.399 1.00 12.18 C ATOM 0 H THR A 117 -6.556 -12.434 -4.512 1.00 9.56 H new ATOM 0 HA THR A 117 -7.300 -13.955 -2.171 1.00 10.01 H new ATOM 0 HB THR A 117 -8.473 -15.419 -4.063 1.00 11.26 H new ATOM 0 HG1 THR A 117 -9.022 -14.111 -5.902 1.00 11.46 H new ATOM 0 HG21 THR A 117 -10.432 -13.947 -3.974 1.00 12.18 H new ATOM 0 HG22 THR A 117 -9.646 -14.090 -2.384 1.00 12.18 H new ATOM 0 HG23 THR A 117 -9.407 -12.625 -3.367 1.00 12.18 H new ATOM 1787 N ASP A 118 -6.628 -16.306 -3.332 1.00 9.74 N ATOM 1788 CA ASP A 118 -5.939 -17.562 -3.559 1.00 9.28 C ATOM 1789 C ASP A 118 -5.579 -17.752 -5.020 1.00 9.42 C ATOM 1790 O ASP A 118 -4.596 -18.422 -5.344 1.00 8.80 O ATOM 1791 CB ASP A 118 -6.870 -18.664 -3.108 1.00 10.08 C ATOM 1792 CG ASP A 118 -6.714 -19.003 -1.638 1.00 9.81 C ATOM 1793 OD1 ASP A 118 -5.957 -19.945 -1.324 1.00 9.86 O ATOM 1794 OD2 ASP A 118 -7.349 -18.326 -0.802 1.00 9.76 O ATOM 0 H ASP A 118 -7.591 -16.433 -3.022 1.00 9.74 H new ATOM 0 HA ASP A 118 -5.003 -17.575 -3.001 1.00 9.28 H new ATOM 0 HB2 ASP A 118 -7.900 -18.363 -3.299 1.00 10.08 H new ATOM 0 HB3 ASP A 118 -6.683 -19.557 -3.704 1.00 10.08 H new ATOM 1799 N GLU A 119 -6.391 -17.154 -5.891 1.00 10.37 N ATOM 1800 CA GLU A 119 -6.155 -17.200 -7.332 1.00 10.83 C ATOM 1801 C GLU A 119 -4.891 -16.429 -7.663 1.00 10.04 C ATOM 1802 O GLU A 119 -4.282 -16.629 -8.717 1.00 10.27 O ATOM 1803 CB GLU A 119 -7.354 -16.658 -8.124 1.00 12.10 C ATOM 1804 CG GLU A 119 -8.576 -17.572 -8.116 1.00 13.08 C ATOM 1805 CD GLU A 119 -9.389 -17.465 -6.837 1.00 14.16 C ATOM 1806 OE1 GLU A 119 -10.304 -16.617 -6.785 1.00 14.50 O ATOM 1807 OE2 GLU A 119 -9.110 -18.231 -5.891 1.00 14.78 O ATOM 0 H GLU A 119 -7.223 -16.629 -5.621 1.00 10.37 H new ATOM 0 HA GLU A 119 -6.028 -18.242 -7.627 1.00 10.83 H new ATOM 0 HB2 GLU A 119 -7.637 -15.689 -7.714 1.00 12.10 H new ATOM 0 HB3 GLU A 119 -7.047 -16.490 -9.156 1.00 12.10 H new ATOM 0 HG2 GLU A 119 -9.212 -17.326 -8.966 1.00 13.08 H new ATOM 0 HG3 GLU A 119 -8.252 -18.604 -8.249 1.00 13.08 H new ATOM 1814 N GLU A 120 -4.512 -15.538 -6.733 1.00 9.24 N ATOM 1815 CA GLU A 120 -3.267 -14.793 -6.831 1.00 8.40 C ATOM 1816 C GLU A 120 -2.155 -15.811 -6.658 1.00 7.57 C ATOM 1817 O GLU A 120 -1.201 -15.839 -7.427 1.00 7.44 O ATOM 1818 CB GLU A 120 -3.167 -13.704 -5.744 1.00 7.71 C ATOM 1819 CG GLU A 120 -2.113 -12.625 -6.000 1.00 7.14 C ATOM 1820 CD GLU A 120 -2.407 -11.757 -7.217 1.00 8.10 C ATOM 1821 OE1 GLU A 120 -3.434 -11.045 -7.208 1.00 8.52 O ATOM 1822 OE2 GLU A 120 -1.608 -11.790 -8.176 1.00 8.58 O ATOM 0 H GLU A 120 -5.062 -15.322 -5.902 1.00 9.24 H new ATOM 0 HA GLU A 120 -3.204 -14.277 -7.789 1.00 8.40 H new ATOM 0 HB2 GLU A 120 -4.140 -13.223 -5.643 1.00 7.71 H new ATOM 0 HB3 GLU A 120 -2.949 -14.184 -4.790 1.00 7.71 H new ATOM 0 HG2 GLU A 120 -2.038 -11.987 -5.119 1.00 7.14 H new ATOM 0 HG3 GLU A 120 -1.142 -13.102 -6.131 1.00 7.14 H new ATOM 1829 N VAL A 121 -2.336 -16.711 -5.674 1.00 7.19 N ATOM 1830 CA VAL A 121 -1.383 -17.748 -5.417 1.00 6.42 C ATOM 1831 C VAL A 121 -1.344 -18.729 -6.588 1.00 7.15 C ATOM 1832 O VAL A 121 -0.276 -19.016 -7.119 1.00 6.95 O ATOM 1833 CB VAL A 121 -1.722 -18.461 -4.093 1.00 5.97 C ATOM 1834 CG1 VAL A 121 -0.633 -19.436 -3.747 1.00 5.00 C ATOM 1835 CG2 VAL A 121 -1.913 -17.453 -2.961 1.00 5.72 C ATOM 0 H VAL A 121 -3.146 -16.721 -5.054 1.00 7.19 H new ATOM 0 HA VAL A 121 -0.390 -17.309 -5.317 1.00 6.42 H new ATOM 0 HB VAL A 121 -2.659 -19.002 -4.222 1.00 5.97 H new ATOM 0 HG11 VAL A 121 -0.877 -19.937 -2.810 1.00 5.00 H new ATOM 0 HG12 VAL A 121 -0.542 -20.176 -4.542 1.00 5.00 H new ATOM 0 HG13 VAL A 121 0.311 -18.903 -3.637 1.00 5.00 H new ATOM 0 HG21 VAL A 121 -2.151 -17.983 -2.039 1.00 5.72 H new ATOM 0 HG22 VAL A 121 -0.995 -16.881 -2.824 1.00 5.72 H new ATOM 0 HG23 VAL A 121 -2.729 -16.775 -3.211 1.00 5.72 H new ATOM 1845 N ASP A 122 -2.530 -19.180 -7.009 1.00 8.17 N ATOM 1846 CA ASP A 122 -2.680 -20.117 -8.145 1.00 9.00 C ATOM 1847 C ASP A 122 -2.099 -19.516 -9.431 1.00 9.58 C ATOM 1848 O ASP A 122 -1.706 -20.244 -10.343 1.00 10.07 O ATOM 1849 CB ASP A 122 -4.157 -20.479 -8.343 1.00 10.08 C ATOM 1850 CG ASP A 122 -4.349 -21.831 -9.009 1.00 9.97 C ATOM 1851 OD1 ASP A 122 -4.416 -21.875 -10.256 1.00 10.09 O ATOM 1852 OD2 ASP A 122 -4.433 -22.845 -8.284 1.00 9.98 O ATOM 0 H ASP A 122 -3.415 -18.911 -6.579 1.00 8.17 H new ATOM 0 HA ASP A 122 -2.124 -21.026 -7.915 1.00 9.00 H new ATOM 0 HB2 ASP A 122 -4.658 -20.482 -7.375 1.00 10.08 H new ATOM 0 HB3 ASP A 122 -4.637 -19.710 -8.948 1.00 10.08 H new ATOM 1857 N GLU A 123 -2.052 -18.178 -9.469 1.00 9.61 N ATOM 1858 CA GLU A 123 -1.496 -17.423 -10.599 1.00 10.24 C ATOM 1859 C GLU A 123 0.037 -17.541 -10.601 1.00 9.65 C ATOM 1860 O GLU A 123 0.659 -17.673 -11.659 1.00 10.36 O ATOM 1861 CB GLU A 123 -1.918 -15.948 -10.510 1.00 10.45 C ATOM 1862 CG GLU A 123 -1.972 -15.233 -11.855 1.00 11.70 C ATOM 1863 CD GLU A 123 -2.361 -13.773 -11.724 1.00 11.94 C ATOM 1864 OE1 GLU A 123 -1.454 -12.930 -11.558 1.00 12.02 O ATOM 1865 OE2 GLU A 123 -3.572 -13.473 -11.787 1.00 12.16 O ATOM 0 H GLU A 123 -2.400 -17.587 -8.714 1.00 9.61 H new ATOM 0 HA GLU A 123 -1.883 -17.838 -11.529 1.00 10.24 H new ATOM 0 HB2 GLU A 123 -2.900 -15.890 -10.040 1.00 10.45 H new ATOM 0 HB3 GLU A 123 -1.221 -15.421 -9.858 1.00 10.45 H new ATOM 0 HG2 GLU A 123 -0.998 -15.304 -12.339 1.00 11.70 H new ATOM 0 HG3 GLU A 123 -2.688 -15.739 -12.503 1.00 11.70 H new ATOM 1872 N MET A 124 0.624 -17.489 -9.392 1.00 8.45 N ATOM 1873 CA MET A 124 2.073 -17.617 -9.202 1.00 7.91 C ATOM 1874 C MET A 124 2.496 -19.065 -9.094 1.00 7.70 C ATOM 1875 O MET A 124 3.672 -19.388 -9.285 1.00 7.76 O ATOM 1876 CB MET A 124 2.526 -16.858 -7.951 1.00 6.78 C ATOM 1877 CG MET A 124 2.879 -15.401 -8.202 1.00 6.98 C ATOM 1878 SD MET A 124 2.012 -14.275 -7.100 1.00 6.62 S ATOM 1879 CE MET A 124 0.507 -14.014 -8.024 1.00 7.40 C ATOM 0 H MET A 124 0.105 -17.357 -8.524 1.00 8.45 H new ATOM 0 HA MET A 124 2.550 -17.183 -10.081 1.00 7.91 H new ATOM 0 HB2 MET A 124 1.734 -16.905 -7.204 1.00 6.78 H new ATOM 0 HB3 MET A 124 3.394 -17.363 -7.527 1.00 6.78 H new ATOM 0 HG2 MET A 124 3.954 -15.266 -8.080 1.00 6.98 H new ATOM 0 HG3 MET A 124 2.641 -15.147 -9.235 1.00 6.98 H new ATOM 0 HE1 MET A 124 -0.345 -14.031 -7.344 1.00 7.40 H new ATOM 0 HE2 MET A 124 0.551 -13.048 -8.526 1.00 7.40 H new ATOM 0 HE3 MET A 124 0.394 -14.804 -8.766 1.00 7.40 H new ATOM 1889 N ILE A 125 1.536 -19.935 -8.787 1.00 7.60 N ATOM 1890 CA ILE A 125 1.801 -21.351 -8.663 1.00 7.41 C ATOM 1891 C ILE A 125 2.188 -21.969 -10.001 1.00 8.49 C ATOM 1892 O ILE A 125 3.138 -22.742 -10.078 1.00 8.45 O ATOM 1893 CB ILE A 125 0.635 -22.108 -8.030 1.00 7.24 C ATOM 1894 CG1 ILE A 125 0.471 -21.683 -6.572 1.00 6.16 C ATOM 1895 CG2 ILE A 125 0.940 -23.568 -8.116 1.00 7.27 C ATOM 1896 CD1 ILE A 125 -0.848 -22.038 -5.966 1.00 6.48 C ATOM 0 H ILE A 125 0.564 -19.673 -8.620 1.00 7.60 H new ATOM 0 HA ILE A 125 2.652 -21.447 -7.988 1.00 7.41 H new ATOM 0 HB ILE A 125 -0.296 -21.888 -8.552 1.00 7.24 H new ATOM 0 HG12 ILE A 125 1.263 -22.143 -5.982 1.00 6.16 H new ATOM 0 HG13 ILE A 125 0.609 -20.604 -6.504 1.00 6.16 H new ATOM 0 HG21 ILE A 125 0.124 -24.137 -7.671 1.00 7.27 H new ATOM 0 HG22 ILE A 125 1.055 -23.855 -9.161 1.00 7.27 H new ATOM 0 HG23 ILE A 125 1.865 -23.779 -7.578 1.00 7.27 H new ATOM 0 HD11 ILE A 125 -0.876 -21.699 -4.931 1.00 6.48 H new ATOM 0 HD12 ILE A 125 -1.648 -21.556 -6.528 1.00 6.48 H new ATOM 0 HD13 ILE A 125 -0.984 -23.119 -5.997 1.00 6.48 H new ATOM 1908 N ARG A 126 1.399 -21.655 -11.020 1.00 9.53 N ATOM 1909 CA ARG A 126 1.646 -22.095 -12.414 1.00 10.70 C ATOM 1910 C ARG A 126 3.132 -22.002 -12.778 1.00 10.89 C ATOM 1911 O ARG A 126 3.655 -22.867 -13.488 1.00 11.45 O ATOM 1912 CB ARG A 126 0.850 -21.243 -13.406 1.00 11.76 C ATOM 1913 CG ARG A 126 -0.651 -21.464 -13.358 1.00 12.03 C ATOM 1914 CD ARG A 126 -1.383 -20.138 -13.313 1.00 12.20 C ATOM 1915 NE ARG A 126 -2.840 -20.314 -13.304 1.00 12.92 N ATOM 1916 CZ ARG A 126 -3.732 -19.314 -13.296 1.00 13.50 C ATOM 1917 NH1 ARG A 126 -3.341 -18.041 -13.297 1.00 13.44 N ATOM 1918 NH2 ARG A 126 -5.028 -19.594 -13.291 1.00 14.26 N ATOM 0 H ARG A 126 0.560 -21.084 -10.917 1.00 9.53 H new ATOM 0 HA ARG A 126 1.324 -23.135 -12.476 1.00 10.70 H new ATOM 0 HB2 ARG A 126 1.057 -20.191 -13.210 1.00 11.76 H new ATOM 0 HB3 ARG A 126 1.204 -21.455 -14.415 1.00 11.76 H new ATOM 0 HG2 ARG A 126 -0.969 -22.032 -14.233 1.00 12.03 H new ATOM 0 HG3 ARG A 126 -0.909 -22.058 -12.481 1.00 12.03 H new ATOM 0 HD2 ARG A 126 -1.079 -19.586 -12.423 1.00 12.20 H new ATOM 0 HD3 ARG A 126 -1.096 -19.536 -14.175 1.00 12.20 H new ATOM 0 HE ARG A 126 -3.200 -21.268 -13.304 1.00 12.92 H new ATOM 0 HH11 ARG A 126 -2.347 -17.813 -13.304 1.00 13.44 H new ATOM 0 HH12 ARG A 126 -4.036 -17.294 -13.291 1.00 13.44 H new ATOM 0 HH21 ARG A 126 -5.340 -20.565 -13.293 1.00 14.26 H new ATOM 0 HH22 ARG A 126 -5.713 -18.838 -13.285 1.00 14.26 H new ATOM 1932 N GLU A 127 3.806 -20.941 -12.283 1.00 10.50 N ATOM 1933 CA GLU A 127 5.239 -20.757 -12.524 1.00 10.79 C ATOM 1934 C GLU A 127 6.075 -21.638 -11.593 1.00 10.06 C ATOM 1935 O GLU A 127 7.172 -22.070 -11.958 1.00 10.61 O ATOM 1936 CB GLU A 127 5.626 -19.295 -12.326 1.00 10.70 C ATOM 1937 CG GLU A 127 5.324 -18.402 -13.527 1.00 11.77 C ATOM 1938 CD GLU A 127 6.268 -18.631 -14.697 1.00 12.85 C ATOM 1939 OE1 GLU A 127 5.948 -19.474 -15.561 1.00 13.26 O ATOM 1940 OE2 GLU A 127 7.325 -17.968 -14.746 1.00 13.42 O ATOM 0 H GLU A 127 3.377 -20.208 -11.719 1.00 10.50 H new ATOM 0 HA GLU A 127 5.442 -21.050 -13.554 1.00 10.79 H new ATOM 0 HB2 GLU A 127 5.098 -18.905 -11.455 1.00 10.70 H new ATOM 0 HB3 GLU A 127 6.692 -19.239 -12.104 1.00 10.70 H new ATOM 0 HG2 GLU A 127 4.300 -18.579 -13.855 1.00 11.77 H new ATOM 0 HG3 GLU A 127 5.384 -17.358 -13.219 1.00 11.77 H new ATOM 1947 N ALA A 128 5.541 -21.895 -10.388 1.00 8.89 N ATOM 1948 CA ALA A 128 6.218 -22.725 -9.386 1.00 8.16 C ATOM 1949 C ALA A 128 6.064 -24.228 -9.635 1.00 8.57 C ATOM 1950 O ALA A 128 6.948 -25.009 -9.270 1.00 8.66 O ATOM 1951 CB ALA A 128 5.648 -22.419 -8.024 1.00 6.87 C ATOM 0 H ALA A 128 4.636 -21.536 -10.085 1.00 8.89 H new ATOM 0 HA ALA A 128 7.279 -22.485 -9.451 1.00 8.16 H new ATOM 0 HB1 ALA A 128 6.147 -23.033 -7.274 1.00 6.87 H new ATOM 0 HB2 ALA A 128 5.804 -21.365 -7.793 1.00 6.87 H new ATOM 0 HB3 ALA A 128 4.580 -22.637 -8.019 1.00 6.87 H new ATOM 1957 N ALA A 129 4.923 -24.619 -10.243 1.00 8.95 N ATOM 1958 CA ALA A 129 4.557 -26.030 -10.521 1.00 9.43 C ATOM 1959 C ALA A 129 4.014 -26.688 -9.246 1.00 8.51 C ATOM 1960 O ALA A 129 2.917 -27.252 -9.251 1.00 8.76 O ATOM 1961 CB ALA A 129 5.711 -26.846 -11.122 1.00 10.42 C ATOM 0 H ALA A 129 4.217 -23.954 -10.561 1.00 8.95 H new ATOM 0 HA ALA A 129 3.776 -26.019 -11.281 1.00 9.43 H new ATOM 0 HB1 ALA A 129 5.379 -27.868 -11.302 1.00 10.42 H new ATOM 0 HB2 ALA A 129 6.024 -26.395 -12.064 1.00 10.42 H new ATOM 0 HB3 ALA A 129 6.551 -26.854 -10.427 1.00 10.42 H new ATOM 1967 N ILE A 130 4.801 -26.590 -8.149 1.00 7.54 N ATOM 1968 CA ILE A 130 4.446 -27.122 -6.810 1.00 6.69 C ATOM 1969 C ILE A 130 4.432 -28.655 -6.736 1.00 6.68 C ATOM 1970 O ILE A 130 4.896 -29.236 -5.754 1.00 6.97 O ATOM 1971 CB ILE A 130 3.094 -26.500 -6.282 1.00 5.80 C ATOM 1972 CG1 ILE A 130 3.328 -25.680 -5.003 1.00 5.43 C ATOM 1973 CG2 ILE A 130 1.999 -27.541 -6.034 1.00 6.19 C ATOM 1974 CD1 ILE A 130 3.771 -24.249 -5.252 1.00 4.53 C ATOM 0 H ILE A 130 5.713 -26.133 -8.168 1.00 7.54 H new ATOM 0 HA ILE A 130 5.249 -26.806 -6.144 1.00 6.69 H new ATOM 0 HB ILE A 130 2.740 -25.847 -7.079 1.00 5.80 H new ATOM 0 HG12 ILE A 130 2.407 -25.667 -4.420 1.00 5.43 H new ATOM 0 HG13 ILE A 130 4.082 -26.181 -4.397 1.00 5.43 H new ATOM 0 HG21 ILE A 130 1.099 -27.043 -5.673 1.00 6.19 H new ATOM 0 HG22 ILE A 130 1.776 -28.063 -6.964 1.00 6.19 H new ATOM 0 HG23 ILE A 130 2.341 -28.258 -5.288 1.00 6.19 H new ATOM 0 HD11 ILE A 130 3.914 -23.741 -4.298 1.00 4.53 H new ATOM 0 HD12 ILE A 130 4.709 -24.250 -5.807 1.00 4.53 H new ATOM 0 HD13 ILE A 130 3.008 -23.727 -5.830 1.00 4.53 H new ATOM 1986 N ASP A 131 3.910 -29.282 -7.784 1.00 6.58 N ATOM 1987 CA ASP A 131 3.780 -30.745 -7.877 1.00 6.68 C ATOM 1988 C ASP A 131 5.112 -31.477 -7.667 1.00 6.59 C ATOM 1989 O ASP A 131 6.188 -30.918 -7.903 1.00 6.80 O ATOM 1990 CB ASP A 131 3.164 -31.130 -9.230 1.00 7.70 C ATOM 1991 CG ASP A 131 2.432 -32.461 -9.189 1.00 7.98 C ATOM 1992 OD1 ASP A 131 1.219 -32.463 -8.889 1.00 8.18 O ATOM 1993 OD2 ASP A 131 3.072 -33.499 -9.458 1.00 8.25 O ATOM 0 H ASP A 131 3.559 -28.790 -8.606 1.00 6.58 H new ATOM 0 HA ASP A 131 3.121 -31.061 -7.069 1.00 6.68 H new ATOM 0 HB2 ASP A 131 2.471 -30.349 -9.543 1.00 7.70 H new ATOM 0 HB3 ASP A 131 3.952 -31.177 -9.982 1.00 7.70 H new ATOM 1998 N GLY A 132 5.003 -32.733 -7.220 1.00 6.49 N ATOM 1999 CA GLY A 132 6.170 -33.552 -6.944 1.00 6.52 C ATOM 2000 C GLY A 132 6.460 -33.612 -5.459 1.00 5.87 C ATOM 2001 O GLY A 132 6.598 -34.698 -4.887 1.00 6.01 O ATOM 0 H GLY A 132 4.112 -33.198 -7.044 1.00 6.49 H new ATOM 0 HA2 GLY A 132 6.009 -34.560 -7.326 1.00 6.52 H new ATOM 0 HA3 GLY A 132 7.034 -33.146 -7.470 1.00 6.52 H new ATOM 2005 N ASP A 133 6.553 -32.429 -4.842 1.00 5.34 N ATOM 2006 CA ASP A 133 6.817 -32.300 -3.415 1.00 4.95 C ATOM 2007 C ASP A 133 5.615 -31.682 -2.755 1.00 4.57 C ATOM 2008 O ASP A 133 5.291 -31.959 -1.596 1.00 4.65 O ATOM 2009 CB ASP A 133 7.971 -31.350 -3.178 1.00 4.99 C ATOM 2010 CG ASP A 133 8.880 -31.791 -2.047 1.00 5.63 C ATOM 2011 OD1 ASP A 133 9.976 -32.316 -2.336 1.00 6.07 O ATOM 2012 OD2 ASP A 133 8.496 -31.612 -0.872 1.00 5.97 O ATOM 0 H ASP A 133 6.446 -31.536 -5.324 1.00 5.34 H new ATOM 0 HA ASP A 133 7.044 -33.288 -3.015 1.00 4.95 H new ATOM 0 HB2 ASP A 133 8.556 -31.262 -4.094 1.00 4.99 H new ATOM 0 HB3 ASP A 133 7.578 -30.358 -2.955 1.00 4.99 H new ATOM 2017 N GLY A 134 4.966 -30.832 -3.547 1.00 4.47 N ATOM 2018 CA GLY A 134 3.825 -30.105 -3.108 1.00 4.33 C ATOM 2019 C GLY A 134 4.158 -28.718 -2.559 1.00 3.73 C ATOM 2020 O GLY A 134 3.264 -27.882 -2.398 1.00 3.75 O ATOM 0 H GLY A 134 5.235 -30.642 -4.512 1.00 4.47 H new ATOM 0 HA2 GLY A 134 3.129 -30.000 -3.940 1.00 4.33 H new ATOM 0 HA3 GLY A 134 3.314 -30.679 -2.336 1.00 4.33 H new ATOM 2024 N GLN A 135 5.447 -28.486 -2.276 1.00 3.55 N ATOM 2025 CA GLN A 135 5.940 -27.214 -1.756 1.00 3.33 C ATOM 2026 C GLN A 135 6.759 -26.451 -2.819 1.00 3.69 C ATOM 2027 O GLN A 135 6.891 -26.914 -3.957 1.00 4.33 O ATOM 2028 CB GLN A 135 6.770 -27.476 -0.491 1.00 3.82 C ATOM 2029 CG GLN A 135 7.753 -28.645 -0.574 1.00 4.41 C ATOM 2030 CD GLN A 135 8.485 -28.884 0.731 1.00 5.26 C ATOM 2031 OE1 GLN A 135 8.028 -29.647 1.583 1.00 5.74 O ATOM 2032 NE2 GLN A 135 9.628 -28.231 0.896 1.00 5.78 N ATOM 0 H GLN A 135 6.179 -29.185 -2.404 1.00 3.55 H new ATOM 0 HA GLN A 135 5.091 -26.580 -1.500 1.00 3.33 H new ATOM 0 HB2 GLN A 135 7.329 -26.571 -0.251 1.00 3.82 H new ATOM 0 HB3 GLN A 135 6.087 -27.658 0.339 1.00 3.82 H new ATOM 0 HG2 GLN A 135 7.213 -29.550 -0.855 1.00 4.41 H new ATOM 0 HG3 GLN A 135 8.479 -28.449 -1.363 1.00 4.41 H new ATOM 0 HE21 GLN A 135 9.970 -27.608 0.164 1.00 5.78 H new ATOM 0 HE22 GLN A 135 10.165 -28.352 1.755 1.00 5.78 H new ATOM 2041 N VAL A 136 7.303 -25.283 -2.432 1.00 3.59 N ATOM 2042 CA VAL A 136 8.099 -24.441 -3.324 1.00 4.23 C ATOM 2043 C VAL A 136 9.241 -23.767 -2.559 1.00 4.67 C ATOM 2044 O VAL A 136 9.549 -24.156 -1.434 1.00 4.74 O ATOM 2045 CB VAL A 136 7.184 -23.405 -4.076 1.00 4.02 C ATOM 2046 CG1 VAL A 136 6.594 -22.356 -3.130 1.00 3.51 C ATOM 2047 CG2 VAL A 136 7.900 -22.735 -5.254 1.00 5.08 C ATOM 0 H VAL A 136 7.199 -24.902 -1.491 1.00 3.59 H new ATOM 0 HA VAL A 136 8.557 -25.072 -4.086 1.00 4.23 H new ATOM 0 HB VAL A 136 6.356 -23.984 -4.485 1.00 4.02 H new ATOM 0 HG11 VAL A 136 5.971 -21.665 -3.697 1.00 3.51 H new ATOM 0 HG12 VAL A 136 5.989 -22.851 -2.370 1.00 3.51 H new ATOM 0 HG13 VAL A 136 7.402 -21.805 -2.649 1.00 3.51 H new ATOM 0 HG21 VAL A 136 7.224 -22.030 -5.737 1.00 5.08 H new ATOM 0 HG22 VAL A 136 8.779 -22.203 -4.891 1.00 5.08 H new ATOM 0 HG23 VAL A 136 8.207 -23.495 -5.973 1.00 5.08 H new ATOM 2057 N ASN A 137 9.866 -22.781 -3.203 1.00 5.28 N ATOM 2058 CA ASN A 137 10.976 -22.039 -2.609 1.00 5.95 C ATOM 2059 C ASN A 137 10.478 -20.765 -1.916 1.00 5.49 C ATOM 2060 O ASN A 137 9.280 -20.469 -1.893 1.00 4.60 O ATOM 2061 CB ASN A 137 12.077 -21.697 -3.633 1.00 7.18 C ATOM 2062 CG ASN A 137 12.504 -22.886 -4.479 1.00 7.90 C ATOM 2063 OD1 ASN A 137 11.928 -23.150 -5.534 1.00 8.11 O ATOM 2064 ND2 ASN A 137 13.520 -23.608 -4.018 1.00 8.51 N ATOM 0 H ASN A 137 9.619 -22.476 -4.145 1.00 5.28 H new ATOM 0 HA ASN A 137 11.423 -22.696 -1.863 1.00 5.95 H new ATOM 0 HB2 ASN A 137 11.719 -20.903 -4.289 1.00 7.18 H new ATOM 0 HB3 ASN A 137 12.946 -21.306 -3.104 1.00 7.18 H new ATOM 0 HD21 ASN A 137 13.851 -24.417 -4.544 1.00 8.51 H new ATOM 0 HD22 ASN A 137 13.969 -23.353 -3.138 1.00 8.51 H new ATOM 2071 N TYR A 138 11.436 -20.037 -1.362 1.00 6.22 N ATOM 2072 CA TYR A 138 11.214 -18.809 -0.606 1.00 6.03 C ATOM 2073 C TYR A 138 11.239 -17.580 -1.507 1.00 6.55 C ATOM 2074 O TYR A 138 10.405 -16.681 -1.370 1.00 6.13 O ATOM 2075 CB TYR A 138 12.306 -18.679 0.481 1.00 6.78 C ATOM 2076 CG TYR A 138 13.607 -19.349 0.079 1.00 7.93 C ATOM 2077 CD1 TYR A 138 13.619 -20.692 -0.273 1.00 8.62 C ATOM 2078 CD2 TYR A 138 14.791 -18.639 -0.017 1.00 8.50 C ATOM 2079 CE1 TYR A 138 14.746 -21.308 -0.701 1.00 9.65 C ATOM 2080 CE2 TYR A 138 15.951 -19.259 -0.439 1.00 9.54 C ATOM 2081 CZ TYR A 138 15.925 -20.597 -0.785 1.00 10.06 C ATOM 2082 OH TYR A 138 17.073 -21.218 -1.222 1.00 11.13 O ATOM 0 H TYR A 138 12.422 -20.291 -1.427 1.00 6.22 H new ATOM 0 HA TYR A 138 10.227 -18.864 -0.147 1.00 6.03 H new ATOM 0 HB2 TYR A 138 12.491 -17.624 0.681 1.00 6.78 H new ATOM 0 HB3 TYR A 138 11.945 -19.121 1.409 1.00 6.78 H new ATOM 0 HD1 TYR A 138 12.704 -21.261 -0.203 1.00 8.62 H new ATOM 0 HD2 TYR A 138 14.808 -17.590 0.240 1.00 8.50 H new ATOM 0 HE1 TYR A 138 14.722 -22.352 -0.976 1.00 9.65 H new ATOM 0 HE2 TYR A 138 16.874 -18.701 -0.498 1.00 9.54 H new ATOM 0 HH TYR A 138 17.813 -20.575 -1.223 1.00 11.13 H new ATOM 2092 N GLU A 139 12.210 -17.561 -2.429 1.00 7.59 N ATOM 2093 CA GLU A 139 12.394 -16.440 -3.351 1.00 8.39 C ATOM 2094 C GLU A 139 11.481 -16.540 -4.577 1.00 8.26 C ATOM 2095 O GLU A 139 10.623 -15.686 -4.778 1.00 8.61 O ATOM 2096 CB GLU A 139 13.866 -16.341 -3.786 1.00 9.64 C ATOM 2097 CG GLU A 139 14.811 -15.903 -2.675 1.00 10.21 C ATOM 2098 CD GLU A 139 16.254 -15.826 -3.133 1.00 11.39 C ATOM 2099 OE1 GLU A 139 16.971 -16.841 -3.011 1.00 11.90 O ATOM 2100 OE2 GLU A 139 16.667 -14.750 -3.614 1.00 11.94 O ATOM 0 H GLU A 139 12.883 -18.317 -2.554 1.00 7.59 H new ATOM 0 HA GLU A 139 12.116 -15.533 -2.815 1.00 8.39 H new ATOM 0 HB2 GLU A 139 14.189 -17.312 -4.163 1.00 9.64 H new ATOM 0 HB3 GLU A 139 13.943 -15.636 -4.614 1.00 9.64 H new ATOM 0 HG2 GLU A 139 14.500 -14.927 -2.302 1.00 10.21 H new ATOM 0 HG3 GLU A 139 14.735 -16.602 -1.842 1.00 10.21 H new ATOM 2107 N GLU A 140 11.640 -17.627 -5.350 1.00 7.94 N ATOM 2108 CA GLU A 140 10.893 -17.866 -6.605 1.00 8.10 C ATOM 2109 C GLU A 140 9.378 -17.603 -6.531 1.00 7.13 C ATOM 2110 O GLU A 140 8.775 -17.265 -7.553 1.00 7.54 O ATOM 2111 CB GLU A 140 11.126 -19.301 -7.087 1.00 8.42 C ATOM 2112 CG GLU A 140 12.518 -19.543 -7.654 1.00 9.47 C ATOM 2113 CD GLU A 140 12.695 -20.953 -8.183 1.00 9.95 C ATOM 2114 OE1 GLU A 140 13.206 -21.810 -7.432 1.00 10.29 O ATOM 2115 OE2 GLU A 140 12.321 -21.200 -9.349 1.00 10.17 O ATOM 0 H GLU A 140 12.296 -18.374 -5.123 1.00 7.94 H new ATOM 0 HA GLU A 140 11.289 -17.134 -7.309 1.00 8.10 H new ATOM 0 HB2 GLU A 140 10.959 -19.985 -6.255 1.00 8.42 H new ATOM 0 HB3 GLU A 140 10.386 -19.542 -7.851 1.00 8.42 H new ATOM 0 HG2 GLU A 140 12.708 -18.831 -8.457 1.00 9.47 H new ATOM 0 HG3 GLU A 140 13.260 -19.354 -6.878 1.00 9.47 H new ATOM 2122 N PHE A 141 8.763 -17.757 -5.348 1.00 5.98 N ATOM 2123 CA PHE A 141 7.324 -17.549 -5.220 1.00 5.06 C ATOM 2124 C PHE A 141 6.915 -16.096 -4.969 1.00 4.76 C ATOM 2125 O PHE A 141 6.240 -15.493 -5.808 1.00 5.06 O ATOM 2126 CB PHE A 141 6.707 -18.497 -4.184 1.00 3.97 C ATOM 2127 CG PHE A 141 5.357 -18.961 -4.613 1.00 3.73 C ATOM 2128 CD1 PHE A 141 5.206 -20.147 -5.317 1.00 3.83 C ATOM 2129 CD2 PHE A 141 4.250 -18.182 -4.354 1.00 4.10 C ATOM 2130 CE1 PHE A 141 3.955 -20.542 -5.763 1.00 4.24 C ATOM 2131 CE2 PHE A 141 3.008 -18.572 -4.785 1.00 4.47 C ATOM 2132 CZ PHE A 141 2.866 -19.742 -5.492 1.00 4.52 C ATOM 0 H PHE A 141 9.236 -18.021 -4.483 1.00 5.98 H new ATOM 0 HA PHE A 141 6.912 -17.795 -6.199 1.00 5.06 H new ATOM 0 HB2 PHE A 141 7.361 -19.357 -4.040 1.00 3.97 H new ATOM 0 HB3 PHE A 141 6.631 -17.989 -3.222 1.00 3.97 H new ATOM 0 HD1 PHE A 141 6.068 -20.766 -5.518 1.00 3.83 H new ATOM 0 HD2 PHE A 141 4.362 -17.257 -3.807 1.00 4.10 H new ATOM 0 HE1 PHE A 141 3.835 -21.463 -6.315 1.00 4.24 H new ATOM 0 HE2 PHE A 141 2.144 -17.961 -4.569 1.00 4.47 H new ATOM 0 HZ PHE A 141 1.888 -20.039 -5.840 1.00 4.52 H new ATOM 2142 N VAL A 142 7.316 -15.543 -3.828 1.00 4.40 N ATOM 2143 CA VAL A 142 6.983 -14.137 -3.472 1.00 4.15 C ATOM 2144 C VAL A 142 7.677 -13.190 -4.428 1.00 5.25 C ATOM 2145 O VAL A 142 7.154 -12.132 -4.772 1.00 5.25 O ATOM 2146 CB VAL A 142 7.368 -13.720 -2.028 1.00 4.09 C ATOM 2147 CG1 VAL A 142 6.287 -12.835 -1.428 1.00 3.37 C ATOM 2148 CG2 VAL A 142 7.624 -14.918 -1.142 1.00 3.96 C ATOM 0 H VAL A 142 7.871 -16.032 -3.126 1.00 4.40 H new ATOM 0 HA VAL A 142 5.897 -14.078 -3.542 1.00 4.15 H new ATOM 0 HB VAL A 142 8.299 -13.155 -2.087 1.00 4.09 H new ATOM 0 HG11 VAL A 142 6.571 -12.550 -0.415 1.00 3.37 H new ATOM 0 HG12 VAL A 142 6.170 -11.939 -2.038 1.00 3.37 H new ATOM 0 HG13 VAL A 142 5.344 -13.381 -1.401 1.00 3.37 H new ATOM 0 HG21 VAL A 142 7.890 -14.580 -0.141 1.00 3.96 H new ATOM 0 HG22 VAL A 142 6.724 -15.531 -1.091 1.00 3.96 H new ATOM 0 HG23 VAL A 142 8.442 -15.508 -1.555 1.00 3.96 H new ATOM 2158 N GLN A 143 8.882 -13.565 -4.834 1.00 6.26 N ATOM 2159 CA GLN A 143 9.618 -12.765 -5.823 1.00 7.42 C ATOM 2160 C GLN A 143 8.866 -12.740 -7.156 1.00 7.74 C ATOM 2161 O GLN A 143 9.058 -11.825 -7.962 1.00 8.48 O ATOM 2162 CB GLN A 143 11.052 -13.257 -6.028 1.00 8.47 C ATOM 2163 CG GLN A 143 12.028 -12.748 -4.976 1.00 9.24 C ATOM 2164 CD GLN A 143 13.487 -13.014 -5.324 1.00 10.23 C ATOM 2165 OE1 GLN A 143 13.876 -13.041 -6.495 1.00 10.70 O ATOM 2166 NE2 GLN A 143 14.308 -13.206 -4.299 1.00 10.74 N ATOM 0 H GLN A 143 9.369 -14.399 -4.507 1.00 6.26 H new ATOM 0 HA GLN A 143 9.683 -11.752 -5.427 1.00 7.42 H new ATOM 0 HB2 GLN A 143 11.058 -14.347 -6.020 1.00 8.47 H new ATOM 0 HB3 GLN A 143 11.397 -12.944 -7.013 1.00 8.47 H new ATOM 0 HG2 GLN A 143 11.883 -11.676 -4.846 1.00 9.24 H new ATOM 0 HG3 GLN A 143 11.799 -13.219 -4.020 1.00 9.24 H new ATOM 0 HE21 GLN A 143 13.948 -13.176 -3.345 1.00 10.74 H new ATOM 0 HE22 GLN A 143 15.299 -13.383 -4.465 1.00 10.74 H new ATOM 2175 N MET A 144 8.011 -13.757 -7.376 1.00 7.32 N ATOM 2176 CA MET A 144 7.208 -13.833 -8.588 1.00 7.88 C ATOM 2177 C MET A 144 5.892 -13.081 -8.457 1.00 7.37 C ATOM 2178 O MET A 144 5.116 -12.976 -9.414 1.00 8.01 O ATOM 2179 CB MET A 144 6.991 -15.284 -9.020 1.00 8.04 C ATOM 2180 CG MET A 144 7.236 -15.535 -10.503 1.00 9.33 C ATOM 2181 SD MET A 144 6.070 -14.673 -11.583 1.00 9.76 S ATOM 2182 CE MET A 144 4.601 -15.694 -11.435 1.00 9.64 C ATOM 0 H MET A 144 7.866 -14.530 -6.726 1.00 7.32 H new ATOM 0 HA MET A 144 7.772 -13.335 -9.376 1.00 7.88 H new ATOM 0 HB2 MET A 144 7.652 -15.927 -8.440 1.00 8.04 H new ATOM 0 HB3 MET A 144 5.969 -15.575 -8.777 1.00 8.04 H new ATOM 0 HG2 MET A 144 8.250 -15.223 -10.754 1.00 9.33 H new ATOM 0 HG3 MET A 144 7.175 -16.606 -10.697 1.00 9.33 H new ATOM 0 HE1 MET A 144 4.245 -15.965 -12.429 1.00 9.64 H new ATOM 0 HE2 MET A 144 4.841 -16.599 -10.876 1.00 9.64 H new ATOM 0 HE3 MET A 144 3.824 -15.139 -10.910 1.00 9.64 H new ATOM 2192 N MET A 145 5.670 -12.560 -7.266 1.00 6.37 N ATOM 2193 CA MET A 145 4.482 -11.742 -6.985 1.00 5.88 C ATOM 2194 C MET A 145 4.866 -10.271 -7.119 1.00 6.25 C ATOM 2195 O MET A 145 4.011 -9.394 -7.273 1.00 6.33 O ATOM 2196 CB MET A 145 3.805 -12.053 -5.626 1.00 4.66 C ATOM 2197 CG MET A 145 4.596 -11.697 -4.380 1.00 3.68 C ATOM 2198 SD MET A 145 4.604 -9.928 -4.000 1.00 3.52 S ATOM 2199 CE MET A 145 2.976 -9.698 -3.288 1.00 3.45 C ATOM 0 H MET A 145 6.293 -12.683 -6.468 1.00 6.37 H new ATOM 0 HA MET A 145 3.717 -11.996 -7.719 1.00 5.88 H new ATOM 0 HB2 MET A 145 2.853 -11.523 -5.589 1.00 4.66 H new ATOM 0 HB3 MET A 145 3.578 -13.119 -5.594 1.00 4.66 H new ATOM 0 HG2 MET A 145 4.181 -12.240 -3.530 1.00 3.68 H new ATOM 0 HG3 MET A 145 5.624 -12.037 -4.504 1.00 3.68 H new ATOM 0 HE1 MET A 145 2.973 -8.801 -2.669 1.00 3.45 H new ATOM 0 HE2 MET A 145 2.242 -9.590 -4.086 1.00 3.45 H new ATOM 0 HE3 MET A 145 2.721 -10.563 -2.675 1.00 3.45 H new ATOM 2209 N THR A 146 6.184 -10.039 -7.053 1.00 6.65 N ATOM 2210 CA THR A 146 6.773 -8.719 -7.208 1.00 7.20 C ATOM 2211 C THR A 146 7.130 -8.501 -8.687 1.00 8.45 C ATOM 2212 O THR A 146 7.207 -7.360 -9.150 1.00 8.99 O ATOM 2213 CB THR A 146 8.042 -8.564 -6.332 1.00 7.31 C ATOM 2214 OG1 THR A 146 7.849 -9.213 -5.067 1.00 6.44 O ATOM 2215 CG2 THR A 146 8.382 -7.095 -6.088 1.00 7.72 C ATOM 0 H THR A 146 6.871 -10.775 -6.889 1.00 6.65 H new ATOM 0 HA THR A 146 6.049 -7.972 -6.882 1.00 7.20 H new ATOM 0 HB THR A 146 8.869 -9.027 -6.871 1.00 7.31 H new ATOM 0 HG1 THR A 146 6.895 -9.215 -4.842 1.00 6.44 H new ATOM 0 HG21 THR A 146 9.277 -7.027 -5.470 1.00 7.72 H new ATOM 0 HG22 THR A 146 8.561 -6.600 -7.042 1.00 7.72 H new ATOM 0 HG23 THR A 146 7.551 -6.609 -5.577 1.00 7.72 H new ATOM 2223 N ALA A 147 7.347 -9.618 -9.417 1.00 8.92 N ATOM 2224 CA ALA A 147 7.676 -9.569 -10.842 1.00 10.15 C ATOM 2225 C ALA A 147 6.415 -9.633 -11.708 1.00 10.43 C ATOM 2226 O ALA A 147 6.351 -8.995 -12.763 1.00 11.37 O ATOM 2227 CB ALA A 147 8.623 -10.704 -11.201 1.00 10.68 C ATOM 0 H ALA A 147 7.298 -10.562 -9.033 1.00 8.92 H new ATOM 0 HA ALA A 147 8.169 -8.618 -11.041 1.00 10.15 H new ATOM 0 HB1 ALA A 147 8.861 -10.657 -12.264 1.00 10.68 H new ATOM 0 HB2 ALA A 147 9.540 -10.610 -10.620 1.00 10.68 H new ATOM 0 HB3 ALA A 147 8.148 -11.659 -10.977 1.00 10.68 H new ATOM 2233 N LYS A 148 5.416 -10.409 -11.252 1.00 9.72 N ATOM 2234 CA LYS A 148 4.156 -10.566 -11.965 1.00 10.13 C ATOM 2235 C LYS A 148 2.976 -10.542 -10.993 1.00 9.70 C ATOM 2236 O LYS A 148 2.124 -9.639 -11.125 1.00 9.60 O ATOM 2237 CB LYS A 148 4.139 -11.867 -12.790 1.00 10.60 C ATOM 2238 CG LYS A 148 4.960 -11.808 -14.076 1.00 11.38 C ATOM 2239 CD LYS A 148 6.396 -12.269 -13.855 1.00 11.36 C ATOM 2240 CE LYS A 148 7.208 -12.227 -15.142 1.00 12.34 C ATOM 2241 NZ LYS A 148 7.546 -10.834 -15.550 1.00 12.59 N ATOM 2242 OXT LYS A 148 2.919 -11.418 -10.103 1.00 9.69 O ATOM 0 H LYS A 148 5.468 -10.939 -10.382 1.00 9.72 H new ATOM 0 HA LYS A 148 4.060 -9.726 -12.653 1.00 10.13 H new ATOM 0 HB2 LYS A 148 4.515 -12.681 -12.170 1.00 10.60 H new ATOM 0 HB3 LYS A 148 3.107 -12.109 -13.043 1.00 10.60 H new ATOM 0 HG2 LYS A 148 4.491 -12.433 -14.835 1.00 11.38 H new ATOM 0 HG3 LYS A 148 4.961 -10.788 -14.460 1.00 11.38 H new ATOM 0 HD2 LYS A 148 6.870 -11.635 -13.105 1.00 11.36 H new ATOM 0 HD3 LYS A 148 6.395 -13.285 -13.459 1.00 11.36 H new ATOM 0 HE2 LYS A 148 8.127 -12.798 -15.008 1.00 12.34 H new ATOM 0 HE3 LYS A 148 6.645 -12.711 -15.940 1.00 12.34 H new ATOM 0 HZ1 LYS A 148 8.099 -10.855 -16.431 1.00 12.59 H new ATOM 0 HZ2 LYS A 148 6.670 -10.295 -15.704 1.00 12.59 H new ATOM 0 HZ3 LYS A 148 8.106 -10.379 -14.801 1.00 12.59 H new