USER MOD reduce.3.24.130724 H: found=0, std=0, add=768, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 770 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 61 ASN : amide:sc= 0.869 K(o=2,f=-4.7!) USER MOD Set 1.2: A 84 THR OG1 : rot 34:sc= 1.14 USER MOD Set 2.1: A 15 MET CE :methyl -112:sc= -6.39! (180deg=-4.32!) USER MOD Set 2.2: A 49 SER OG : rot -19:sc= 0.454 USER MOD Set 3.1: A 28 SER OG : rot 91:sc= 1.09 USER MOD Set 3.2: A 35 GLN : amide:sc= -3.35! C(o=-1.5!,f=0.58!) USER MOD Set 3.3: A 70 HIS : no HE2:sc= 0.71 K(o=-1.5,f=-9.5!) USER MOD Single : A 13 CYS SG : rot 180:sc= -0.213 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 68:sc= 0.0345 USER MOD Single : A 25 ASN : amide:sc= -2.03! C(o=-2!,f=-7.2!) USER MOD Single : A 27 HIS : no HD1:sc= -3.23! C(o=-3.2!,f=-3.5!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot -88:sc= 1.22 USER MOD Single : A 54 GLN : amide:sc= -0.266 X(o=-0.27,f=-0.24) USER MOD Single : A 64 CYS SG : rot 36:sc= 0.143 USER MOD Single : A 65 MET CE :methyl 177:sc= -0.378 (180deg=-0.399) USER MOD Single : A 68 LYS NZ :NH3+ 131:sc= 0.665 (180deg=-0.00755) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot 143:sc= 1.16 USER MOD Single : A 98 LYS NZ :NH3+ 143:sc= 2.22 (180deg=1.44) USER MOD Single : A 99 LYS NZ :NH3+ -160:sc= -0.0545 (180deg=-0.4) USER MOD Single : A 100 CYS SG : rot -37:sc= -0.0448 USER MOD Single : A 105 SER OG : rot 47:sc= 1.26 USER MOD Single : A 106 GLN : amide:sc= 0.108 K(o=0.11,f=-0.6) USER MOD Single : A 108 HIS : no HD1:sc= -0.543 K(o=-0.54,f=-2.2) USER MOD Single : A 110 ASN : amide:sc=-0.00364 X(o=-0.0036,f=-0.0065) USER MOD ----------------------------------------------------------------- ATOM 106 N LEU A 8 -8.323 -8.349 -1.159 1.00 0.80 N ATOM 107 CA LEU A 8 -7.916 -7.059 -1.698 1.00 0.56 C ATOM 108 C LEU A 8 -7.516 -6.122 -0.566 1.00 0.48 C ATOM 109 O LEU A 8 -8.092 -5.047 -0.395 1.00 0.47 O ATOM 110 CB LEU A 8 -9.058 -6.444 -2.507 1.00 0.47 C ATOM 111 CG LEU A 8 -9.603 -7.324 -3.631 1.00 0.56 C ATOM 112 CD1 LEU A 8 -10.863 -6.710 -4.213 1.00 0.61 C ATOM 113 CD2 LEU A 8 -8.553 -7.520 -4.713 1.00 0.72 C ATOM 0 HA LEU A 8 -7.058 -7.207 -2.354 1.00 0.56 H new ATOM 0 HB2 LEU A 8 -9.875 -6.202 -1.827 1.00 0.47 H new ATOM 0 HB3 LEU A 8 -8.713 -5.504 -2.937 1.00 0.47 H new ATOM 0 HG LEU A 8 -9.852 -8.302 -3.218 1.00 0.56 H new ATOM 0 HD11 LEU A 8 -11.242 -7.346 -5.013 1.00 0.61 H new ATOM 0 HD12 LEU A 8 -11.618 -6.620 -3.432 1.00 0.61 H new ATOM 0 HD13 LEU A 8 -10.635 -5.722 -4.612 1.00 0.61 H new ATOM 0 HD21 LEU A 8 -8.960 -8.149 -5.505 1.00 0.72 H new ATOM 0 HD22 LEU A 8 -8.272 -6.552 -5.127 1.00 0.72 H new ATOM 0 HD23 LEU A 8 -7.673 -8.000 -4.284 1.00 0.72 H new ATOM 125 N ARG A 9 -6.523 -6.536 0.199 1.00 0.52 N ATOM 126 CA ARG A 9 -6.103 -5.798 1.375 1.00 0.51 C ATOM 127 C ARG A 9 -4.597 -5.574 1.352 1.00 0.43 C ATOM 128 O ARG A 9 -3.849 -6.392 0.816 1.00 0.47 O ATOM 129 CB ARG A 9 -6.525 -6.542 2.646 1.00 0.69 C ATOM 130 CG ARG A 9 -6.122 -8.006 2.672 1.00 1.15 C ATOM 131 CD ARG A 9 -6.590 -8.679 3.949 1.00 1.21 C ATOM 132 NE ARG A 9 -6.294 -10.110 3.958 1.00 1.84 N ATOM 133 CZ ARG A 9 -5.581 -10.717 4.904 1.00 2.23 C ATOM 134 NH1 ARG A 9 -5.061 -10.017 5.906 1.00 2.21 N ATOM 135 NH2 ARG A 9 -5.385 -12.025 4.844 1.00 3.09 N ATOM 0 H ARG A 9 -5.988 -7.387 0.024 1.00 0.52 H new ATOM 0 HA ARG A 9 -6.591 -4.823 1.371 1.00 0.51 H new ATOM 0 HB2 ARG A 9 -6.087 -6.041 3.509 1.00 0.69 H new ATOM 0 HB3 ARG A 9 -7.608 -6.473 2.752 1.00 0.69 H new ATOM 0 HG2 ARG A 9 -6.548 -8.519 1.810 1.00 1.15 H new ATOM 0 HG3 ARG A 9 -5.038 -8.090 2.589 1.00 1.15 H new ATOM 0 HD2 ARG A 9 -6.110 -8.205 4.805 1.00 1.21 H new ATOM 0 HD3 ARG A 9 -7.664 -8.531 4.064 1.00 1.21 H new ATOM 0 HE ARG A 9 -6.656 -10.679 3.192 1.00 1.84 H new ATOM 0 HH11 ARG A 9 -5.207 -9.009 5.953 1.00 2.21 H new ATOM 0 HH12 ARG A 9 -4.516 -10.488 6.628 1.00 2.21 H new ATOM 0 HH21 ARG A 9 -5.780 -12.565 4.074 1.00 3.09 H new ATOM 0 HH22 ARG A 9 -4.839 -12.493 5.568 1.00 3.09 H new ATOM 149 N PRO A 10 -4.143 -4.451 1.934 1.00 0.36 N ATOM 150 CA PRO A 10 -2.730 -4.064 1.917 1.00 0.30 C ATOM 151 C PRO A 10 -1.865 -4.962 2.794 1.00 0.28 C ATOM 152 O PRO A 10 -2.366 -5.824 3.519 1.00 0.38 O ATOM 153 CB PRO A 10 -2.748 -2.638 2.476 1.00 0.29 C ATOM 154 CG PRO A 10 -3.965 -2.580 3.329 1.00 0.47 C ATOM 155 CD PRO A 10 -4.974 -3.476 2.667 1.00 0.40 C ATOM 0 HA PRO A 10 -2.301 -4.146 0.918 1.00 0.30 H new ATOM 0 HB2 PRO A 10 -1.849 -2.429 3.055 1.00 0.29 H new ATOM 0 HB3 PRO A 10 -2.791 -1.900 1.675 1.00 0.29 H new ATOM 0 HG2 PRO A 10 -3.748 -2.917 4.343 1.00 0.47 H new ATOM 0 HG3 PRO A 10 -4.340 -1.559 3.406 1.00 0.47 H new ATOM 0 HD2 PRO A 10 -5.616 -3.966 3.399 1.00 0.40 H new ATOM 0 HD3 PRO A 10 -5.625 -2.918 1.994 1.00 0.40 H new ATOM 163 N ARG A 11 -0.563 -4.740 2.737 1.00 0.29 N ATOM 164 CA ARG A 11 0.376 -5.495 3.549 1.00 0.34 C ATOM 165 C ARG A 11 1.381 -4.553 4.191 1.00 0.27 C ATOM 166 O ARG A 11 1.815 -3.581 3.569 1.00 0.27 O ATOM 167 CB ARG A 11 1.093 -6.546 2.696 1.00 0.49 C ATOM 168 CG ARG A 11 1.882 -5.959 1.539 1.00 0.63 C ATOM 169 CD ARG A 11 2.312 -7.032 0.552 1.00 1.00 C ATOM 170 NE ARG A 11 1.162 -7.754 0.012 1.00 1.22 N ATOM 171 CZ ARG A 11 0.544 -7.427 -1.123 1.00 1.59 C ATOM 172 NH1 ARG A 11 0.977 -6.406 -1.856 1.00 1.95 N ATOM 173 NH2 ARG A 11 -0.516 -8.114 -1.525 1.00 2.37 N ATOM 0 H ARG A 11 -0.131 -4.040 2.134 1.00 0.29 H new ATOM 0 HA ARG A 11 -0.173 -6.010 4.337 1.00 0.34 H new ATOM 0 HB2 ARG A 11 1.769 -7.118 3.332 1.00 0.49 H new ATOM 0 HB3 ARG A 11 0.356 -7.247 2.303 1.00 0.49 H new ATOM 0 HG2 ARG A 11 1.275 -5.214 1.025 1.00 0.63 H new ATOM 0 HG3 ARG A 11 2.762 -5.443 1.923 1.00 0.63 H new ATOM 0 HD2 ARG A 11 2.872 -6.574 -0.264 1.00 1.00 H new ATOM 0 HD3 ARG A 11 2.985 -7.734 1.046 1.00 1.00 H new ATOM 0 HE ARG A 11 0.811 -8.556 0.535 1.00 1.22 H new ATOM 0 HH11 ARG A 11 1.787 -5.867 -1.551 1.00 1.95 H new ATOM 0 HH12 ARG A 11 0.499 -6.162 -2.723 1.00 1.95 H new ATOM 0 HH21 ARG A 11 -0.860 -8.894 -0.966 1.00 2.37 H new ATOM 0 HH22 ARG A 11 -0.987 -7.862 -2.394 1.00 2.37 H new ATOM 187 N LEU A 12 1.726 -4.822 5.443 1.00 0.29 N ATOM 188 CA LEU A 12 2.710 -4.014 6.138 1.00 0.26 C ATOM 189 C LEU A 12 4.077 -4.663 6.017 1.00 0.25 C ATOM 190 O LEU A 12 4.337 -5.714 6.602 1.00 0.32 O ATOM 191 CB LEU A 12 2.331 -3.842 7.613 1.00 0.34 C ATOM 192 CG LEU A 12 3.233 -2.898 8.414 1.00 0.60 C ATOM 193 CD1 LEU A 12 3.190 -1.491 7.830 1.00 1.32 C ATOM 194 CD2 LEU A 12 2.816 -2.879 9.878 1.00 1.28 C ATOM 0 H LEU A 12 1.340 -5.590 5.993 1.00 0.29 H new ATOM 0 HA LEU A 12 2.739 -3.025 5.680 1.00 0.26 H new ATOM 0 HB2 LEU A 12 1.307 -3.473 7.667 1.00 0.34 H new ATOM 0 HB3 LEU A 12 2.342 -4.822 8.091 1.00 0.34 H new ATOM 0 HG LEU A 12 4.257 -3.265 8.350 1.00 0.60 H new ATOM 0 HD11 LEU A 12 3.837 -0.835 8.413 1.00 1.32 H new ATOM 0 HD12 LEU A 12 3.535 -1.515 6.796 1.00 1.32 H new ATOM 0 HD13 LEU A 12 2.168 -1.114 7.863 1.00 1.32 H new ATOM 0 HD21 LEU A 12 3.467 -2.203 10.433 1.00 1.28 H new ATOM 0 HD22 LEU A 12 1.784 -2.536 9.958 1.00 1.28 H new ATOM 0 HD23 LEU A 12 2.898 -3.884 10.293 1.00 1.28 H new ATOM 206 N CYS A 13 4.944 -4.032 5.255 1.00 0.23 N ATOM 207 CA CYS A 13 6.266 -4.559 5.011 1.00 0.25 C ATOM 208 C CYS A 13 7.233 -4.049 6.069 1.00 0.22 C ATOM 209 O CYS A 13 7.477 -2.850 6.171 1.00 0.24 O ATOM 210 CB CYS A 13 6.732 -4.133 3.618 1.00 0.29 C ATOM 211 SG CYS A 13 5.470 -4.319 2.336 1.00 0.40 S ATOM 0 H CYS A 13 4.753 -3.144 4.790 1.00 0.23 H new ATOM 0 HA CYS A 13 6.238 -5.647 5.063 1.00 0.25 H new ATOM 0 HB2 CYS A 13 7.049 -3.091 3.654 1.00 0.29 H new ATOM 0 HB3 CYS A 13 7.606 -4.722 3.342 1.00 0.29 H new ATOM 0 HG CYS A 13 5.953 -3.933 1.192 1.00 0.40 H new ATOM 217 N THR A 14 7.774 -4.954 6.862 1.00 0.23 N ATOM 218 CA THR A 14 8.734 -4.578 7.881 1.00 0.24 C ATOM 219 C THR A 14 10.121 -5.032 7.461 1.00 0.22 C ATOM 220 O THR A 14 10.363 -6.226 7.281 1.00 0.25 O ATOM 221 CB THR A 14 8.365 -5.205 9.237 1.00 0.31 C ATOM 222 OG1 THR A 14 6.990 -4.916 9.537 1.00 0.35 O ATOM 223 CG2 THR A 14 9.255 -4.668 10.348 1.00 0.35 C ATOM 0 H THR A 14 7.566 -5.952 6.820 1.00 0.23 H new ATOM 0 HA THR A 14 8.721 -3.494 7.991 1.00 0.24 H new ATOM 0 HB THR A 14 8.513 -6.283 9.172 1.00 0.31 H new ATOM 0 HG1 THR A 14 6.752 -5.316 10.400 1.00 0.35 H new ATOM 0 HG21 THR A 14 8.972 -5.128 11.295 1.00 0.35 H new ATOM 0 HG22 THR A 14 10.296 -4.904 10.126 1.00 0.35 H new ATOM 0 HG23 THR A 14 9.135 -3.587 10.420 1.00 0.35 H new ATOM 231 N MET A 15 11.028 -4.085 7.301 1.00 0.20 N ATOM 232 CA MET A 15 12.352 -4.395 6.797 1.00 0.19 C ATOM 233 C MET A 15 13.428 -3.647 7.576 1.00 0.21 C ATOM 234 O MET A 15 13.307 -2.449 7.829 1.00 0.21 O ATOM 235 CB MET A 15 12.444 -4.043 5.306 1.00 0.21 C ATOM 236 CG MET A 15 12.132 -2.586 5.012 1.00 0.24 C ATOM 237 SD MET A 15 12.343 -2.148 3.276 1.00 0.88 S ATOM 238 CE MET A 15 10.865 -2.863 2.569 1.00 0.28 C ATOM 0 H MET A 15 10.872 -3.099 7.512 1.00 0.20 H new ATOM 0 HA MET A 15 12.521 -5.464 6.926 1.00 0.19 H new ATOM 0 HB2 MET A 15 13.447 -4.272 4.947 1.00 0.21 H new ATOM 0 HB3 MET A 15 11.754 -4.675 4.747 1.00 0.21 H new ATOM 0 HG2 MET A 15 11.105 -2.374 5.311 1.00 0.24 H new ATOM 0 HG3 MET A 15 12.778 -1.953 5.620 1.00 0.24 H new ATOM 0 HE1 MET A 15 11.137 -3.701 1.927 1.00 0.28 H new ATOM 0 HE2 MET A 15 10.213 -3.215 3.368 1.00 0.28 H new ATOM 0 HE3 MET A 15 10.342 -2.110 1.980 1.00 0.28 H new ATOM 248 N LYS A 16 14.464 -4.371 7.959 1.00 0.29 N ATOM 249 CA LYS A 16 15.620 -3.790 8.617 1.00 0.37 C ATOM 250 C LYS A 16 16.761 -3.689 7.627 1.00 0.40 C ATOM 251 O LYS A 16 16.878 -4.512 6.721 1.00 0.48 O ATOM 252 CB LYS A 16 16.048 -4.646 9.817 1.00 0.50 C ATOM 253 CG LYS A 16 17.222 -4.062 10.592 1.00 0.90 C ATOM 254 CD LYS A 16 17.661 -4.966 11.734 1.00 1.09 C ATOM 255 CE LYS A 16 18.824 -4.352 12.502 1.00 1.96 C ATOM 256 NZ LYS A 16 19.269 -5.206 13.634 1.00 2.58 N ATOM 0 H LYS A 16 14.528 -5.380 7.822 1.00 0.29 H new ATOM 0 HA LYS A 16 15.357 -2.796 8.980 1.00 0.37 H new ATOM 0 HB2 LYS A 16 15.200 -4.762 10.491 1.00 0.50 H new ATOM 0 HB3 LYS A 16 16.315 -5.643 9.466 1.00 0.50 H new ATOM 0 HG2 LYS A 16 18.060 -3.903 9.914 1.00 0.90 H new ATOM 0 HG3 LYS A 16 16.944 -3.086 10.989 1.00 0.90 H new ATOM 0 HD2 LYS A 16 16.823 -5.136 12.410 1.00 1.09 H new ATOM 0 HD3 LYS A 16 17.954 -5.939 11.340 1.00 1.09 H new ATOM 0 HE2 LYS A 16 19.660 -4.190 11.822 1.00 1.96 H new ATOM 0 HE3 LYS A 16 18.529 -3.374 12.882 1.00 1.96 H new ATOM 0 HZ1 LYS A 16 20.062 -4.746 14.125 1.00 2.58 H new ATOM 0 HZ2 LYS A 16 18.480 -5.340 14.299 1.00 2.58 H new ATOM 0 HZ3 LYS A 16 19.577 -6.131 13.271 1.00 2.58 H new ATOM 270 N LYS A 17 17.575 -2.659 7.787 1.00 0.41 N ATOM 271 CA LYS A 17 18.754 -2.481 6.955 1.00 0.50 C ATOM 272 C LYS A 17 19.669 -3.695 7.049 1.00 0.60 C ATOM 273 O LYS A 17 20.290 -3.943 8.084 1.00 0.67 O ATOM 274 CB LYS A 17 19.504 -1.217 7.366 1.00 0.51 C ATOM 275 CG LYS A 17 19.350 -0.084 6.373 1.00 0.52 C ATOM 276 CD LYS A 17 20.136 1.145 6.789 1.00 0.53 C ATOM 277 CE LYS A 17 19.506 1.849 7.974 1.00 0.62 C ATOM 278 NZ LYS A 17 20.371 2.950 8.467 1.00 0.92 N ATOM 0 H LYS A 17 17.440 -1.931 8.488 1.00 0.41 H new ATOM 0 HA LYS A 17 18.431 -2.376 5.919 1.00 0.50 H new ATOM 0 HB2 LYS A 17 19.143 -0.889 8.341 1.00 0.51 H new ATOM 0 HB3 LYS A 17 20.563 -1.451 7.480 1.00 0.51 H new ATOM 0 HG2 LYS A 17 19.687 -0.415 5.390 1.00 0.52 H new ATOM 0 HG3 LYS A 17 18.295 0.175 6.278 1.00 0.52 H new ATOM 0 HD2 LYS A 17 21.156 0.855 7.040 1.00 0.53 H new ATOM 0 HD3 LYS A 17 20.199 1.836 5.949 1.00 0.53 H new ATOM 0 HE2 LYS A 17 18.533 2.248 7.688 1.00 0.62 H new ATOM 0 HE3 LYS A 17 19.333 1.132 8.776 1.00 0.62 H new ATOM 0 HZ1 LYS A 17 19.914 3.414 9.278 1.00 0.92 H new ATOM 0 HZ2 LYS A 17 21.291 2.564 8.762 1.00 0.92 H new ATOM 0 HZ3 LYS A 17 20.515 3.645 7.707 1.00 0.92 H new ATOM 292 N GLY A 18 19.735 -4.441 5.949 1.00 0.68 N ATOM 293 CA GLY A 18 20.456 -5.700 5.926 1.00 0.85 C ATOM 294 C GLY A 18 21.958 -5.530 5.819 1.00 1.05 C ATOM 295 O GLY A 18 22.639 -5.388 6.831 1.00 1.28 O ATOM 0 H GLY A 18 19.295 -4.190 5.063 1.00 0.68 H new ATOM 0 HA2 GLY A 18 20.225 -6.260 6.832 1.00 0.85 H new ATOM 0 HA3 GLY A 18 20.104 -6.297 5.084 1.00 0.85 H new ATOM 299 N PRO A 19 22.505 -5.571 4.597 1.00 1.24 N ATOM 300 CA PRO A 19 23.941 -5.398 4.364 1.00 1.57 C ATOM 301 C PRO A 19 24.437 -4.035 4.841 1.00 1.57 C ATOM 302 O PRO A 19 25.118 -3.928 5.860 1.00 2.23 O ATOM 303 CB PRO A 19 24.092 -5.520 2.842 1.00 1.91 C ATOM 304 CG PRO A 19 22.839 -6.177 2.367 1.00 1.86 C ATOM 305 CD PRO A 19 21.763 -5.816 3.354 1.00 1.40 C ATOM 0 HA PRO A 19 24.529 -6.132 4.914 1.00 1.57 H new ATOM 0 HB2 PRO A 19 24.220 -4.541 2.381 1.00 1.91 H new ATOM 0 HB3 PRO A 19 24.969 -6.113 2.581 1.00 1.91 H new ATOM 0 HG2 PRO A 19 22.577 -5.834 1.366 1.00 1.86 H new ATOM 0 HG3 PRO A 19 22.966 -7.258 2.311 1.00 1.86 H new ATOM 0 HD2 PRO A 19 21.208 -4.933 3.037 1.00 1.40 H new ATOM 0 HD3 PRO A 19 21.039 -6.622 3.471 1.00 1.40 H new ATOM 313 N SER A 20 24.086 -2.994 4.105 1.00 1.40 N ATOM 314 CA SER A 20 24.426 -1.633 4.486 1.00 1.65 C ATOM 315 C SER A 20 23.317 -0.685 4.052 1.00 1.43 C ATOM 316 O SER A 20 23.516 0.522 3.921 1.00 1.93 O ATOM 317 CB SER A 20 25.758 -1.222 3.853 1.00 2.14 C ATOM 318 OG SER A 20 26.799 -2.104 4.243 1.00 2.87 O ATOM 0 H SER A 20 23.561 -3.067 3.233 1.00 1.40 H new ATOM 0 HA SER A 20 24.530 -1.582 5.570 1.00 1.65 H new ATOM 0 HB2 SER A 20 25.664 -1.222 2.767 1.00 2.14 H new ATOM 0 HB3 SER A 20 26.008 -0.204 4.151 1.00 2.14 H new ATOM 0 HG SER A 20 27.640 -1.823 3.825 1.00 2.87 H new ATOM 324 N GLY A 21 22.143 -1.255 3.828 1.00 1.04 N ATOM 325 CA GLY A 21 21.014 -0.490 3.361 1.00 0.94 C ATOM 326 C GLY A 21 19.835 -1.383 3.055 1.00 0.97 C ATOM 327 O GLY A 21 19.737 -2.493 3.583 1.00 1.93 O ATOM 0 H GLY A 21 21.954 -2.248 3.965 1.00 1.04 H new ATOM 0 HA2 GLY A 21 20.731 0.243 4.116 1.00 0.94 H new ATOM 0 HA3 GLY A 21 21.294 0.066 2.466 1.00 0.94 H new ATOM 331 N TYR A 22 18.945 -0.905 2.204 1.00 0.74 N ATOM 332 CA TYR A 22 17.784 -1.679 1.793 1.00 0.70 C ATOM 333 C TYR A 22 17.919 -2.048 0.320 1.00 0.89 C ATOM 334 O TYR A 22 18.775 -1.504 -0.378 1.00 1.82 O ATOM 335 CB TYR A 22 16.498 -0.884 2.033 1.00 0.64 C ATOM 336 CG TYR A 22 16.312 -0.435 3.468 1.00 0.50 C ATOM 337 CD1 TYR A 22 15.839 -1.310 4.439 1.00 0.47 C ATOM 338 CD2 TYR A 22 16.606 0.870 3.850 1.00 0.55 C ATOM 339 CE1 TYR A 22 15.665 -0.897 5.747 1.00 0.46 C ATOM 340 CE2 TYR A 22 16.435 1.289 5.154 1.00 0.54 C ATOM 341 CZ TYR A 22 15.965 0.402 6.097 1.00 0.46 C ATOM 342 OH TYR A 22 15.798 0.815 7.397 1.00 0.59 O ATOM 0 H TYR A 22 19.004 0.021 1.781 1.00 0.74 H new ATOM 0 HA TYR A 22 17.731 -2.591 2.387 1.00 0.70 H new ATOM 0 HB2 TYR A 22 16.499 -0.007 1.386 1.00 0.64 H new ATOM 0 HB3 TYR A 22 15.645 -1.496 1.741 1.00 0.64 H new ATOM 0 HD1 TYR A 22 15.604 -2.328 4.167 1.00 0.47 H new ATOM 0 HD2 TYR A 22 16.975 1.568 3.113 1.00 0.55 H new ATOM 0 HE1 TYR A 22 15.296 -1.588 6.490 1.00 0.46 H new ATOM 0 HE2 TYR A 22 16.668 2.306 5.433 1.00 0.54 H new ATOM 0 HH TYR A 22 16.448 0.358 7.971 1.00 0.59 H new ATOM 352 N GLY A 23 17.077 -2.951 -0.163 1.00 0.43 N ATOM 353 CA GLY A 23 17.223 -3.425 -1.526 1.00 0.42 C ATOM 354 C GLY A 23 15.971 -3.244 -2.354 1.00 0.39 C ATOM 355 O GLY A 23 15.298 -4.213 -2.705 1.00 0.39 O ATOM 0 H GLY A 23 16.302 -3.361 0.358 1.00 0.43 H new ATOM 0 HA2 GLY A 23 18.047 -2.894 -2.003 1.00 0.42 H new ATOM 0 HA3 GLY A 23 17.492 -4.481 -1.510 1.00 0.42 H new ATOM 359 N PHE A 24 15.664 -2.000 -2.673 1.00 0.37 N ATOM 360 CA PHE A 24 14.535 -1.688 -3.531 1.00 0.36 C ATOM 361 C PHE A 24 14.748 -0.343 -4.201 1.00 0.38 C ATOM 362 O PHE A 24 15.594 0.447 -3.774 1.00 0.40 O ATOM 363 CB PHE A 24 13.221 -1.686 -2.742 1.00 0.34 C ATOM 364 CG PHE A 24 13.165 -0.674 -1.629 1.00 0.32 C ATOM 365 CD1 PHE A 24 12.686 0.605 -1.860 1.00 0.34 C ATOM 366 CD2 PHE A 24 13.577 -1.008 -0.350 1.00 0.33 C ATOM 367 CE1 PHE A 24 12.621 1.532 -0.839 1.00 0.36 C ATOM 368 CE2 PHE A 24 13.516 -0.083 0.676 1.00 0.35 C ATOM 369 CZ PHE A 24 13.036 1.187 0.431 1.00 0.36 C ATOM 0 H PHE A 24 16.184 -1.185 -2.349 1.00 0.37 H new ATOM 0 HA PHE A 24 14.465 -2.462 -4.295 1.00 0.36 H new ATOM 0 HB2 PHE A 24 12.398 -1.496 -3.431 1.00 0.34 H new ATOM 0 HB3 PHE A 24 13.062 -2.679 -2.322 1.00 0.34 H new ATOM 0 HD1 PHE A 24 12.359 0.881 -2.852 1.00 0.34 H new ATOM 0 HD2 PHE A 24 13.950 -2.002 -0.152 1.00 0.33 H new ATOM 0 HE1 PHE A 24 12.246 2.526 -1.034 1.00 0.36 H new ATOM 0 HE2 PHE A 24 13.844 -0.355 1.669 1.00 0.35 H new ATOM 0 HZ PHE A 24 12.985 1.910 1.232 1.00 0.36 H new ATOM 379 N ASN A 25 13.991 -0.093 -5.250 1.00 0.43 N ATOM 380 CA ASN A 25 14.049 1.175 -5.948 1.00 0.46 C ATOM 381 C ASN A 25 12.644 1.740 -6.103 1.00 0.42 C ATOM 382 O ASN A 25 11.729 1.041 -6.550 1.00 0.39 O ATOM 383 CB ASN A 25 14.715 1.000 -7.318 1.00 0.51 C ATOM 384 CG ASN A 25 14.914 2.315 -8.052 1.00 1.23 C ATOM 385 OD1 ASN A 25 14.079 2.725 -8.855 1.00 2.18 O ATOM 386 ND2 ASN A 25 16.023 2.983 -7.781 1.00 1.65 N ATOM 0 H ASN A 25 13.323 -0.758 -5.640 1.00 0.43 H new ATOM 0 HA ASN A 25 14.648 1.876 -5.366 1.00 0.46 H new ATOM 0 HB2 ASN A 25 15.681 0.513 -7.187 1.00 0.51 H new ATOM 0 HB3 ASN A 25 14.105 0.337 -7.931 1.00 0.51 H new ATOM 0 HD21 ASN A 25 16.209 3.872 -8.245 1.00 1.65 H new ATOM 0 HD22 ASN A 25 16.692 2.609 -7.108 1.00 1.65 H new ATOM 393 N LEU A 26 12.474 2.995 -5.727 1.00 0.50 N ATOM 394 CA LEU A 26 11.175 3.645 -5.801 1.00 0.52 C ATOM 395 C LEU A 26 11.107 4.511 -7.044 1.00 0.55 C ATOM 396 O LEU A 26 12.105 5.104 -7.444 1.00 0.73 O ATOM 397 CB LEU A 26 10.942 4.527 -4.570 1.00 0.69 C ATOM 398 CG LEU A 26 10.949 3.802 -3.223 1.00 0.87 C ATOM 399 CD1 LEU A 26 10.826 4.799 -2.081 1.00 1.52 C ATOM 400 CD2 LEU A 26 9.819 2.788 -3.164 1.00 1.48 C ATOM 0 H LEU A 26 13.222 3.587 -5.366 1.00 0.50 H new ATOM 0 HA LEU A 26 10.407 2.873 -5.839 1.00 0.52 H new ATOM 0 HB2 LEU A 26 11.710 5.300 -4.549 1.00 0.69 H new ATOM 0 HB3 LEU A 26 9.983 5.033 -4.685 1.00 0.69 H new ATOM 0 HG LEU A 26 11.897 3.274 -3.119 1.00 0.87 H new ATOM 0 HD11 LEU A 26 10.833 4.266 -1.130 1.00 1.52 H new ATOM 0 HD12 LEU A 26 11.665 5.494 -2.113 1.00 1.52 H new ATOM 0 HD13 LEU A 26 9.892 5.352 -2.180 1.00 1.52 H new ATOM 0 HD21 LEU A 26 9.836 2.280 -2.200 1.00 1.48 H new ATOM 0 HD22 LEU A 26 8.864 3.299 -3.288 1.00 1.48 H new ATOM 0 HD23 LEU A 26 9.945 2.056 -3.962 1.00 1.48 H new ATOM 412 N HIS A 27 9.943 4.577 -7.668 1.00 0.56 N ATOM 413 CA HIS A 27 9.780 5.456 -8.806 1.00 0.67 C ATOM 414 C HIS A 27 8.664 6.453 -8.542 1.00 0.68 C ATOM 415 O HIS A 27 7.575 6.083 -8.095 1.00 0.95 O ATOM 416 CB HIS A 27 9.557 4.667 -10.110 1.00 1.23 C ATOM 417 CG HIS A 27 8.137 4.333 -10.467 1.00 0.70 C ATOM 418 ND1 HIS A 27 7.370 5.118 -11.303 1.00 0.97 N ATOM 419 CD2 HIS A 27 7.364 3.272 -10.142 1.00 0.81 C ATOM 420 CE1 HIS A 27 6.190 4.557 -11.474 1.00 1.30 C ATOM 421 NE2 HIS A 27 6.159 3.434 -10.782 1.00 1.34 N ATOM 0 H HIS A 27 9.113 4.042 -7.410 1.00 0.56 H new ATOM 0 HA HIS A 27 10.705 6.016 -8.943 1.00 0.67 H new ATOM 0 HB2 HIS A 27 9.988 5.240 -10.931 1.00 1.23 H new ATOM 0 HB3 HIS A 27 10.118 3.735 -10.043 1.00 1.23 H new ATOM 0 HD2 HIS A 27 7.642 2.450 -9.499 1.00 0.81 H new ATOM 0 HE1 HIS A 27 5.385 4.950 -12.078 1.00 1.30 H new ATOM 0 HE2 HIS A 27 5.369 2.791 -10.731 1.00 1.34 H new ATOM 430 N SER A 28 8.965 7.716 -8.777 1.00 0.75 N ATOM 431 CA SER A 28 7.999 8.782 -8.587 1.00 1.14 C ATOM 432 C SER A 28 7.296 9.063 -9.905 1.00 1.03 C ATOM 433 O SER A 28 7.945 9.314 -10.923 1.00 1.34 O ATOM 434 CB SER A 28 8.712 10.032 -8.072 1.00 1.74 C ATOM 435 OG SER A 28 9.561 9.706 -6.980 1.00 2.30 O ATOM 0 H SER A 28 9.879 8.031 -9.103 1.00 0.75 H new ATOM 0 HA SER A 28 7.253 8.483 -7.851 1.00 1.14 H new ATOM 0 HB2 SER A 28 9.298 10.480 -8.874 1.00 1.74 H new ATOM 0 HB3 SER A 28 7.977 10.774 -7.760 1.00 1.74 H new ATOM 0 HG SER A 28 10.456 9.490 -7.315 1.00 2.30 H new ATOM 529 N GLN A 35 4.943 7.112 -4.124 1.00 0.74 N ATOM 530 CA GLN A 35 6.085 6.324 -4.546 1.00 0.59 C ATOM 531 C GLN A 35 5.635 4.915 -4.890 1.00 0.52 C ATOM 532 O GLN A 35 4.952 4.271 -4.097 1.00 0.58 O ATOM 533 CB GLN A 35 7.155 6.276 -3.444 1.00 0.58 C ATOM 534 CG GLN A 35 7.438 7.614 -2.757 1.00 0.82 C ATOM 535 CD GLN A 35 7.471 8.817 -3.694 1.00 0.75 C ATOM 536 OE1 GLN A 35 7.172 9.933 -3.283 1.00 1.50 O ATOM 537 NE2 GLN A 35 7.817 8.609 -4.951 1.00 0.78 N ATOM 0 HA GLN A 35 6.522 6.793 -5.428 1.00 0.59 H new ATOM 0 HB2 GLN A 35 6.844 5.555 -2.688 1.00 0.58 H new ATOM 0 HB3 GLN A 35 8.084 5.903 -3.876 1.00 0.58 H new ATOM 0 HG2 GLN A 35 6.677 7.784 -1.996 1.00 0.82 H new ATOM 0 HG3 GLN A 35 8.396 7.546 -2.241 1.00 0.82 H new ATOM 0 HE21 GLN A 35 8.061 7.669 -5.264 1.00 0.78 H new ATOM 0 HE22 GLN A 35 7.841 9.388 -5.609 1.00 0.78 H new ATOM 546 N PHE A 36 6.001 4.438 -6.068 1.00 0.47 N ATOM 547 CA PHE A 36 5.631 3.093 -6.478 1.00 0.43 C ATOM 548 C PHE A 36 6.877 2.230 -6.550 1.00 0.39 C ATOM 549 O PHE A 36 7.946 2.718 -6.930 1.00 0.45 O ATOM 550 CB PHE A 36 4.931 3.109 -7.841 1.00 0.48 C ATOM 551 CG PHE A 36 3.670 3.933 -7.888 1.00 0.58 C ATOM 552 CD1 PHE A 36 3.728 5.306 -8.070 1.00 0.70 C ATOM 553 CD2 PHE A 36 2.430 3.330 -7.762 1.00 0.68 C ATOM 554 CE1 PHE A 36 2.572 6.062 -8.123 1.00 0.83 C ATOM 555 CE2 PHE A 36 1.270 4.080 -7.813 1.00 0.81 C ATOM 556 CZ PHE A 36 1.342 5.447 -7.994 1.00 0.87 C ATOM 0 H PHE A 36 6.550 4.957 -6.753 1.00 0.47 H new ATOM 0 HA PHE A 36 4.938 2.682 -5.744 1.00 0.43 H new ATOM 0 HB2 PHE A 36 5.627 3.491 -8.588 1.00 0.48 H new ATOM 0 HB3 PHE A 36 4.691 2.084 -8.124 1.00 0.48 H new ATOM 0 HD1 PHE A 36 4.688 5.791 -8.172 1.00 0.70 H new ATOM 0 HD2 PHE A 36 2.368 2.261 -7.622 1.00 0.68 H new ATOM 0 HE1 PHE A 36 2.630 7.131 -8.265 1.00 0.83 H new ATOM 0 HE2 PHE A 36 0.309 3.598 -7.711 1.00 0.81 H new ATOM 0 HZ PHE A 36 0.437 6.035 -8.035 1.00 0.87 H new ATOM 566 N ILE A 37 6.751 0.962 -6.176 1.00 0.36 N ATOM 567 CA ILE A 37 7.878 0.047 -6.234 1.00 0.33 C ATOM 568 C ILE A 37 8.241 -0.218 -7.687 1.00 0.33 C ATOM 569 O ILE A 37 7.519 -0.910 -8.404 1.00 0.38 O ATOM 570 CB ILE A 37 7.599 -1.309 -5.535 1.00 0.34 C ATOM 571 CG1 ILE A 37 7.148 -1.125 -4.080 1.00 0.39 C ATOM 572 CG2 ILE A 37 8.835 -2.197 -5.585 1.00 0.33 C ATOM 573 CD1 ILE A 37 7.915 -0.058 -3.334 1.00 0.38 C ATOM 0 H ILE A 37 5.884 0.549 -5.832 1.00 0.36 H new ATOM 0 HA ILE A 37 8.699 0.527 -5.702 1.00 0.33 H new ATOM 0 HB ILE A 37 6.785 -1.789 -6.078 1.00 0.34 H new ATOM 0 HG12 ILE A 37 6.088 -0.873 -4.067 1.00 0.39 H new ATOM 0 HG13 ILE A 37 7.257 -2.073 -3.553 1.00 0.39 H new ATOM 0 HG21 ILE A 37 8.622 -3.145 -5.090 1.00 0.33 H new ATOM 0 HG22 ILE A 37 9.107 -2.383 -6.624 1.00 0.33 H new ATOM 0 HG23 ILE A 37 9.661 -1.700 -5.077 1.00 0.33 H new ATOM 0 HD11 ILE A 37 7.539 0.014 -2.313 1.00 0.38 H new ATOM 0 HD12 ILE A 37 8.973 -0.318 -3.314 1.00 0.38 H new ATOM 0 HD13 ILE A 37 7.786 0.901 -3.836 1.00 0.38 H new ATOM 585 N ARG A 38 9.350 0.357 -8.117 1.00 0.34 N ATOM 586 CA ARG A 38 9.819 0.182 -9.478 1.00 0.41 C ATOM 587 C ARG A 38 10.431 -1.199 -9.638 1.00 0.40 C ATOM 588 O ARG A 38 10.115 -1.928 -10.580 1.00 0.49 O ATOM 589 CB ARG A 38 10.845 1.260 -9.819 1.00 0.50 C ATOM 590 CG ARG A 38 11.469 1.092 -11.191 1.00 0.67 C ATOM 591 CD ARG A 38 12.508 2.161 -11.452 1.00 1.24 C ATOM 592 NE ARG A 38 13.327 1.852 -12.619 1.00 1.56 N ATOM 593 CZ ARG A 38 14.653 1.964 -12.645 1.00 2.17 C ATOM 594 NH1 ARG A 38 15.307 2.379 -11.565 1.00 2.83 N ATOM 595 NH2 ARG A 38 15.319 1.652 -13.748 1.00 2.62 N ATOM 0 H ARG A 38 9.944 0.952 -7.539 1.00 0.34 H new ATOM 0 HA ARG A 38 8.976 0.274 -10.162 1.00 0.41 H new ATOM 0 HB2 ARG A 38 10.365 2.237 -9.765 1.00 0.50 H new ATOM 0 HB3 ARG A 38 11.634 1.250 -9.067 1.00 0.50 H new ATOM 0 HG2 ARG A 38 11.930 0.107 -11.266 1.00 0.67 H new ATOM 0 HG3 ARG A 38 10.693 1.140 -11.955 1.00 0.67 H new ATOM 0 HD2 ARG A 38 12.012 3.120 -11.601 1.00 1.24 H new ATOM 0 HD3 ARG A 38 13.149 2.266 -10.576 1.00 1.24 H new ATOM 0 HE ARG A 38 12.856 1.531 -13.465 1.00 1.56 H new ATOM 0 HH11 ARG A 38 14.793 2.612 -10.715 1.00 2.83 H new ATOM 0 HH12 ARG A 38 16.323 2.465 -11.586 1.00 2.83 H new ATOM 0 HH21 ARG A 38 14.815 1.327 -14.573 1.00 2.62 H new ATOM 0 HH22 ARG A 38 16.335 1.737 -13.771 1.00 2.62 H new ATOM 609 N SER A 39 11.294 -1.548 -8.698 1.00 0.36 N ATOM 610 CA SER A 39 11.959 -2.834 -8.698 1.00 0.40 C ATOM 611 C SER A 39 12.472 -3.154 -7.300 1.00 0.32 C ATOM 612 O SER A 39 12.881 -2.258 -6.559 1.00 0.37 O ATOM 613 CB SER A 39 13.106 -2.834 -9.715 1.00 0.54 C ATOM 614 OG SER A 39 13.919 -1.680 -9.574 1.00 1.26 O ATOM 0 H SER A 39 11.551 -0.946 -7.916 1.00 0.36 H new ATOM 0 HA SER A 39 11.246 -3.606 -8.988 1.00 0.40 H new ATOM 0 HB2 SER A 39 13.714 -3.729 -9.581 1.00 0.54 H new ATOM 0 HB3 SER A 39 12.699 -2.874 -10.725 1.00 0.54 H new ATOM 0 HG SER A 39 14.643 -1.707 -10.234 1.00 1.26 H new ATOM 620 N VAL A 40 12.411 -4.421 -6.933 1.00 0.36 N ATOM 621 CA VAL A 40 12.879 -4.869 -5.633 1.00 0.30 C ATOM 622 C VAL A 40 13.928 -5.961 -5.812 1.00 0.31 C ATOM 623 O VAL A 40 13.862 -6.745 -6.762 1.00 0.37 O ATOM 624 CB VAL A 40 11.702 -5.381 -4.764 1.00 0.33 C ATOM 625 CG1 VAL A 40 10.989 -6.544 -5.435 1.00 0.37 C ATOM 626 CG2 VAL A 40 12.177 -5.777 -3.374 1.00 0.32 C ATOM 0 H VAL A 40 12.038 -5.165 -7.523 1.00 0.36 H new ATOM 0 HA VAL A 40 13.330 -4.023 -5.115 1.00 0.30 H new ATOM 0 HB VAL A 40 10.991 -4.561 -4.660 1.00 0.33 H new ATOM 0 HG11 VAL A 40 10.168 -6.882 -4.802 1.00 0.37 H new ATOM 0 HG12 VAL A 40 10.595 -6.222 -6.399 1.00 0.37 H new ATOM 0 HG13 VAL A 40 11.692 -7.363 -5.586 1.00 0.37 H new ATOM 0 HG21 VAL A 40 11.330 -6.132 -2.787 1.00 0.32 H new ATOM 0 HG22 VAL A 40 12.920 -6.571 -3.456 1.00 0.32 H new ATOM 0 HG23 VAL A 40 12.622 -4.912 -2.882 1.00 0.32 H new ATOM 636 N ASP A 41 14.916 -5.988 -4.930 1.00 0.35 N ATOM 637 CA ASP A 41 15.946 -7.011 -4.984 1.00 0.45 C ATOM 638 C ASP A 41 15.490 -8.227 -4.193 1.00 0.48 C ATOM 639 O ASP A 41 15.180 -8.120 -3.006 1.00 0.51 O ATOM 640 CB ASP A 41 17.269 -6.485 -4.424 1.00 0.54 C ATOM 641 CG ASP A 41 18.437 -7.397 -4.756 1.00 1.27 C ATOM 642 OD1 ASP A 41 18.533 -8.494 -4.168 1.00 2.28 O ATOM 643 OD2 ASP A 41 19.263 -7.014 -5.612 1.00 1.32 O ATOM 0 H ASP A 41 15.025 -5.315 -4.171 1.00 0.35 H new ATOM 0 HA ASP A 41 16.108 -7.291 -6.025 1.00 0.45 H new ATOM 0 HB2 ASP A 41 17.462 -5.490 -4.826 1.00 0.54 H new ATOM 0 HB3 ASP A 41 17.188 -6.381 -3.342 1.00 0.54 H new ATOM 648 N PRO A 42 15.423 -9.391 -4.852 1.00 0.58 N ATOM 649 CA PRO A 42 14.947 -10.634 -4.235 1.00 0.69 C ATOM 650 C PRO A 42 15.808 -11.096 -3.067 1.00 0.69 C ATOM 651 O PRO A 42 15.349 -11.850 -2.209 1.00 1.17 O ATOM 652 CB PRO A 42 15.012 -11.663 -5.369 1.00 0.84 C ATOM 653 CG PRO A 42 15.102 -10.864 -6.625 1.00 0.93 C ATOM 654 CD PRO A 42 15.793 -9.582 -6.260 1.00 0.69 C ATOM 0 HA PRO A 42 13.951 -10.498 -3.814 1.00 0.69 H new ATOM 0 HB2 PRO A 42 15.877 -12.317 -5.257 1.00 0.84 H new ATOM 0 HB3 PRO A 42 14.128 -12.301 -5.372 1.00 0.84 H new ATOM 0 HG2 PRO A 42 15.661 -11.403 -7.390 1.00 0.93 H new ATOM 0 HG3 PRO A 42 14.111 -10.669 -7.034 1.00 0.93 H new ATOM 0 HD2 PRO A 42 16.873 -9.657 -6.386 1.00 0.69 H new ATOM 0 HD3 PRO A 42 15.456 -8.752 -6.881 1.00 0.69 H new ATOM 662 N ASP A 43 17.052 -10.652 -3.036 1.00 0.75 N ATOM 663 CA ASP A 43 17.959 -11.025 -1.964 1.00 0.87 C ATOM 664 C ASP A 43 18.139 -9.845 -1.020 1.00 0.70 C ATOM 665 O ASP A 43 19.258 -9.436 -0.699 1.00 0.86 O ATOM 666 CB ASP A 43 19.308 -11.478 -2.533 1.00 1.14 C ATOM 667 CG ASP A 43 20.221 -12.095 -1.485 1.00 1.69 C ATOM 668 OD1 ASP A 43 19.713 -12.665 -0.496 1.00 1.92 O ATOM 669 OD2 ASP A 43 21.458 -12.026 -1.655 1.00 2.40 O ATOM 0 H ASP A 43 17.457 -10.034 -3.739 1.00 0.75 H new ATOM 0 HA ASP A 43 17.534 -11.861 -1.409 1.00 0.87 H new ATOM 0 HB2 ASP A 43 19.135 -12.203 -3.328 1.00 1.14 H new ATOM 0 HB3 ASP A 43 19.810 -10.623 -2.986 1.00 1.14 H new ATOM 674 N SER A 44 17.019 -9.280 -0.595 1.00 0.57 N ATOM 675 CA SER A 44 17.040 -8.165 0.334 1.00 0.48 C ATOM 676 C SER A 44 15.844 -8.249 1.279 1.00 0.40 C ATOM 677 O SER A 44 14.868 -8.950 0.993 1.00 0.39 O ATOM 678 CB SER A 44 17.011 -6.842 -0.434 1.00 0.47 C ATOM 679 OG SER A 44 15.721 -6.585 -0.963 1.00 0.46 O ATOM 0 H SER A 44 16.085 -9.577 -0.880 1.00 0.57 H new ATOM 0 HA SER A 44 17.957 -8.212 0.921 1.00 0.48 H new ATOM 0 HB2 SER A 44 17.304 -6.027 0.228 1.00 0.47 H new ATOM 0 HB3 SER A 44 17.740 -6.872 -1.244 1.00 0.47 H new ATOM 0 HG SER A 44 15.645 -6.992 -1.851 1.00 0.46 H new ATOM 685 N PRO A 45 15.903 -7.530 2.418 1.00 0.43 N ATOM 686 CA PRO A 45 14.801 -7.473 3.387 1.00 0.45 C ATOM 687 C PRO A 45 13.523 -6.894 2.783 1.00 0.38 C ATOM 688 O PRO A 45 12.434 -7.092 3.313 1.00 0.39 O ATOM 689 CB PRO A 45 15.331 -6.551 4.494 1.00 0.57 C ATOM 690 CG PRO A 45 16.457 -5.801 3.872 1.00 0.65 C ATOM 691 CD PRO A 45 17.060 -6.733 2.865 1.00 0.52 C ATOM 0 HA PRO A 45 14.527 -8.467 3.740 1.00 0.45 H new ATOM 0 HB2 PRO A 45 14.554 -5.873 4.847 1.00 0.57 H new ATOM 0 HB3 PRO A 45 15.669 -7.125 5.356 1.00 0.57 H new ATOM 0 HG2 PRO A 45 16.102 -4.887 3.396 1.00 0.65 H new ATOM 0 HG3 PRO A 45 17.192 -5.506 4.621 1.00 0.65 H new ATOM 0 HD2 PRO A 45 17.521 -6.192 2.039 1.00 0.52 H new ATOM 0 HD3 PRO A 45 17.835 -7.359 3.307 1.00 0.52 H new ATOM 699 N ALA A 46 13.661 -6.195 1.662 1.00 0.35 N ATOM 700 CA ALA A 46 12.525 -5.558 1.014 1.00 0.33 C ATOM 701 C ALA A 46 11.567 -6.603 0.450 1.00 0.30 C ATOM 702 O ALA A 46 10.372 -6.590 0.747 1.00 0.31 O ATOM 703 CB ALA A 46 13.004 -4.621 -0.083 1.00 0.36 C ATOM 0 H ALA A 46 14.551 -6.056 1.184 1.00 0.35 H new ATOM 0 HA ALA A 46 11.985 -4.974 1.759 1.00 0.33 H new ATOM 0 HB1 ALA A 46 12.145 -4.150 -0.560 1.00 0.36 H new ATOM 0 HB2 ALA A 46 13.645 -3.853 0.349 1.00 0.36 H new ATOM 0 HB3 ALA A 46 13.566 -5.187 -0.825 1.00 0.36 H new ATOM 709 N GLU A 47 12.099 -7.524 -0.338 1.00 0.31 N ATOM 710 CA GLU A 47 11.291 -8.592 -0.911 1.00 0.33 C ATOM 711 C GLU A 47 10.755 -9.492 0.202 1.00 0.34 C ATOM 712 O GLU A 47 9.602 -9.922 0.171 1.00 0.40 O ATOM 713 CB GLU A 47 12.117 -9.396 -1.924 1.00 0.40 C ATOM 714 CG GLU A 47 11.380 -10.583 -2.534 1.00 0.53 C ATOM 715 CD GLU A 47 10.175 -10.177 -3.365 1.00 1.12 C ATOM 716 OE1 GLU A 47 9.100 -9.930 -2.783 1.00 2.01 O ATOM 717 OE2 GLU A 47 10.292 -10.122 -4.609 1.00 1.51 O ATOM 0 H GLU A 47 13.085 -7.555 -0.596 1.00 0.31 H new ATOM 0 HA GLU A 47 10.442 -8.158 -1.439 1.00 0.33 H new ATOM 0 HB2 GLU A 47 12.435 -8.730 -2.726 1.00 0.40 H new ATOM 0 HB3 GLU A 47 13.020 -9.758 -1.433 1.00 0.40 H new ATOM 0 HG2 GLU A 47 12.071 -11.149 -3.160 1.00 0.53 H new ATOM 0 HG3 GLU A 47 11.054 -11.250 -1.735 1.00 0.53 H new ATOM 724 N ALA A 48 11.587 -9.736 1.212 1.00 0.34 N ATOM 725 CA ALA A 48 11.190 -10.552 2.355 1.00 0.38 C ATOM 726 C ALA A 48 10.036 -9.906 3.122 1.00 0.37 C ATOM 727 O ALA A 48 9.115 -10.592 3.571 1.00 0.47 O ATOM 728 CB ALA A 48 12.378 -10.783 3.278 1.00 0.44 C ATOM 0 H ALA A 48 12.541 -9.379 1.261 1.00 0.34 H new ATOM 0 HA ALA A 48 10.845 -11.515 1.978 1.00 0.38 H new ATOM 0 HB1 ALA A 48 12.067 -11.393 4.126 1.00 0.44 H new ATOM 0 HB2 ALA A 48 13.169 -11.297 2.732 1.00 0.44 H new ATOM 0 HB3 ALA A 48 12.751 -9.824 3.638 1.00 0.44 H new ATOM 734 N SER A 49 10.087 -8.584 3.258 1.00 0.31 N ATOM 735 CA SER A 49 9.061 -7.848 3.986 1.00 0.32 C ATOM 736 C SER A 49 7.743 -7.826 3.206 1.00 0.35 C ATOM 737 O SER A 49 6.676 -7.596 3.776 1.00 0.40 O ATOM 738 CB SER A 49 9.541 -6.420 4.274 1.00 0.32 C ATOM 739 OG SER A 49 9.649 -5.658 3.088 1.00 0.31 O ATOM 0 H SER A 49 10.830 -8.001 2.872 1.00 0.31 H new ATOM 0 HA SER A 49 8.881 -8.356 4.933 1.00 0.32 H new ATOM 0 HB2 SER A 49 8.846 -5.933 4.958 1.00 0.32 H new ATOM 0 HB3 SER A 49 10.509 -6.455 4.774 1.00 0.32 H new ATOM 0 HG SER A 49 9.700 -6.260 2.316 1.00 0.31 H new ATOM 745 N GLY A 50 7.828 -8.077 1.901 1.00 0.36 N ATOM 746 CA GLY A 50 6.638 -8.131 1.072 1.00 0.43 C ATOM 747 C GLY A 50 6.476 -6.905 0.196 1.00 0.43 C ATOM 748 O GLY A 50 5.365 -6.409 0.015 1.00 0.62 O ATOM 0 H GLY A 50 8.703 -8.244 1.404 1.00 0.36 H new ATOM 0 HA2 GLY A 50 6.680 -9.019 0.442 1.00 0.43 H new ATOM 0 HA3 GLY A 50 5.761 -8.234 1.710 1.00 0.43 H new ATOM 752 N LEU A 51 7.577 -6.409 -0.342 1.00 0.41 N ATOM 753 CA LEU A 51 7.543 -5.239 -1.208 1.00 0.40 C ATOM 754 C LEU A 51 7.360 -5.671 -2.656 1.00 0.48 C ATOM 755 O LEU A 51 8.323 -6.011 -3.345 1.00 0.65 O ATOM 756 CB LEU A 51 8.829 -4.434 -1.045 1.00 0.38 C ATOM 757 CG LEU A 51 8.716 -2.961 -1.421 1.00 0.35 C ATOM 758 CD1 LEU A 51 7.671 -2.278 -0.550 1.00 0.38 C ATOM 759 CD2 LEU A 51 10.062 -2.273 -1.282 1.00 0.37 C ATOM 0 H LEU A 51 8.508 -6.798 -0.195 1.00 0.41 H new ATOM 0 HA LEU A 51 6.701 -4.607 -0.926 1.00 0.40 H new ATOM 0 HB2 LEU A 51 9.156 -4.505 -0.008 1.00 0.38 H new ATOM 0 HB3 LEU A 51 9.607 -4.891 -1.656 1.00 0.38 H new ATOM 0 HG LEU A 51 8.402 -2.887 -2.462 1.00 0.35 H new ATOM 0 HD11 LEU A 51 7.598 -1.226 -0.827 1.00 0.38 H new ATOM 0 HD12 LEU A 51 6.704 -2.760 -0.696 1.00 0.38 H new ATOM 0 HD13 LEU A 51 7.962 -2.358 0.497 1.00 0.38 H new ATOM 0 HD21 LEU A 51 9.963 -1.222 -1.554 1.00 0.37 H new ATOM 0 HD22 LEU A 51 10.405 -2.350 -0.250 1.00 0.37 H new ATOM 0 HD23 LEU A 51 10.785 -2.752 -1.942 1.00 0.37 H new ATOM 771 N ARG A 52 6.115 -5.667 -3.105 1.00 0.53 N ATOM 772 CA ARG A 52 5.776 -6.122 -4.445 1.00 0.65 C ATOM 773 C ARG A 52 5.950 -4.989 -5.446 1.00 0.55 C ATOM 774 O ARG A 52 5.730 -3.822 -5.123 1.00 0.61 O ATOM 775 CB ARG A 52 4.334 -6.631 -4.471 1.00 0.86 C ATOM 776 CG ARG A 52 3.971 -7.431 -5.715 1.00 1.23 C ATOM 777 CD ARG A 52 4.646 -8.798 -5.728 1.00 2.05 C ATOM 778 NE ARG A 52 6.022 -8.749 -6.227 1.00 2.59 N ATOM 779 CZ ARG A 52 7.094 -9.084 -5.506 1.00 3.57 C ATOM 780 NH1 ARG A 52 6.967 -9.418 -4.230 1.00 4.13 N ATOM 781 NH2 ARG A 52 8.296 -9.085 -6.066 1.00 4.38 N ATOM 0 H ARG A 52 5.316 -5.351 -2.556 1.00 0.53 H new ATOM 0 HA ARG A 52 6.446 -6.936 -4.722 1.00 0.65 H new ATOM 0 HB2 ARG A 52 4.165 -7.253 -3.592 1.00 0.86 H new ATOM 0 HB3 ARG A 52 3.659 -5.779 -4.392 1.00 0.86 H new ATOM 0 HG2 ARG A 52 2.890 -7.560 -5.761 1.00 1.23 H new ATOM 0 HG3 ARG A 52 4.264 -6.873 -6.604 1.00 1.23 H new ATOM 0 HD2 ARG A 52 4.645 -9.208 -4.718 1.00 2.05 H new ATOM 0 HD3 ARG A 52 4.064 -9.479 -6.348 1.00 2.05 H new ATOM 0 HE ARG A 52 6.171 -8.439 -7.187 1.00 2.59 H new ATOM 0 HH11 ARG A 52 6.046 -9.420 -3.793 1.00 4.13 H new ATOM 0 HH12 ARG A 52 7.791 -9.673 -3.685 1.00 4.13 H new ATOM 0 HH21 ARG A 52 8.401 -8.830 -7.048 1.00 4.38 H new ATOM 0 HH22 ARG A 52 9.115 -9.341 -5.515 1.00 4.38 H new ATOM 795 N ALA A 53 6.357 -5.336 -6.657 1.00 0.53 N ATOM 796 CA ALA A 53 6.579 -4.349 -7.699 1.00 0.54 C ATOM 797 C ALA A 53 5.258 -3.772 -8.189 1.00 0.61 C ATOM 798 O ALA A 53 4.264 -4.494 -8.287 1.00 1.44 O ATOM 799 CB ALA A 53 7.353 -4.964 -8.854 1.00 0.68 C ATOM 0 H ALA A 53 6.541 -6.298 -6.942 1.00 0.53 H new ATOM 0 HA ALA A 53 7.169 -3.535 -7.279 1.00 0.54 H new ATOM 0 HB1 ALA A 53 7.512 -4.212 -9.627 1.00 0.68 H new ATOM 0 HB2 ALA A 53 8.317 -5.324 -8.495 1.00 0.68 H new ATOM 0 HB3 ALA A 53 6.786 -5.797 -9.269 1.00 0.68 H new ATOM 805 N GLN A 54 5.272 -2.469 -8.490 1.00 0.65 N ATOM 806 CA GLN A 54 4.099 -1.728 -8.976 1.00 0.74 C ATOM 807 C GLN A 54 3.146 -1.361 -7.838 1.00 0.59 C ATOM 808 O GLN A 54 2.115 -0.722 -8.068 1.00 0.67 O ATOM 809 CB GLN A 54 3.348 -2.488 -10.082 1.00 0.99 C ATOM 810 CG GLN A 54 3.986 -2.392 -11.464 1.00 1.46 C ATOM 811 CD GLN A 54 5.386 -2.976 -11.530 1.00 2.34 C ATOM 812 OE1 GLN A 54 5.567 -4.165 -11.794 1.00 2.99 O ATOM 813 NE2 GLN A 54 6.386 -2.139 -11.307 1.00 3.06 N ATOM 0 H GLN A 54 6.108 -1.891 -8.402 1.00 0.65 H new ATOM 0 HA GLN A 54 4.481 -0.804 -9.409 1.00 0.74 H new ATOM 0 HB2 GLN A 54 3.279 -3.539 -9.800 1.00 0.99 H new ATOM 0 HB3 GLN A 54 2.329 -2.106 -10.139 1.00 0.99 H new ATOM 0 HG2 GLN A 54 3.352 -2.909 -12.184 1.00 1.46 H new ATOM 0 HG3 GLN A 54 4.024 -1.345 -11.766 1.00 1.46 H new ATOM 0 HE21 GLN A 54 6.194 -1.161 -11.091 1.00 3.06 H new ATOM 0 HE22 GLN A 54 7.349 -2.472 -11.351 1.00 3.06 H new ATOM 822 N ASP A 55 3.497 -1.748 -6.618 1.00 0.47 N ATOM 823 CA ASP A 55 2.720 -1.375 -5.443 1.00 0.45 C ATOM 824 C ASP A 55 3.100 0.033 -5.005 1.00 0.39 C ATOM 825 O ASP A 55 4.231 0.474 -5.222 1.00 0.48 O ATOM 826 CB ASP A 55 2.961 -2.362 -4.294 1.00 0.50 C ATOM 827 CG ASP A 55 2.310 -3.719 -4.505 1.00 0.67 C ATOM 828 OD1 ASP A 55 2.213 -4.172 -5.667 1.00 1.02 O ATOM 829 OD2 ASP A 55 1.894 -4.339 -3.501 1.00 1.01 O ATOM 0 H ASP A 55 4.316 -2.321 -6.416 1.00 0.47 H new ATOM 0 HA ASP A 55 1.662 -1.403 -5.702 1.00 0.45 H new ATOM 0 HB2 ASP A 55 4.034 -2.500 -4.165 1.00 0.50 H new ATOM 0 HB3 ASP A 55 2.582 -1.928 -3.369 1.00 0.50 H new ATOM 834 N ARG A 56 2.163 0.748 -4.402 1.00 0.38 N ATOM 835 CA ARG A 56 2.417 2.123 -3.983 1.00 0.42 C ATOM 836 C ARG A 56 2.619 2.219 -2.479 1.00 0.39 C ATOM 837 O ARG A 56 1.960 1.520 -1.709 1.00 0.39 O ATOM 838 CB ARG A 56 1.260 3.040 -4.384 1.00 0.56 C ATOM 839 CG ARG A 56 1.564 4.520 -4.165 1.00 0.78 C ATOM 840 CD ARG A 56 0.334 5.396 -4.339 1.00 0.79 C ATOM 841 NE ARG A 56 -0.578 5.307 -3.197 1.00 0.89 N ATOM 842 CZ ARG A 56 -1.729 4.646 -3.214 1.00 0.91 C ATOM 843 NH1 ARG A 56 -2.091 3.963 -4.288 1.00 1.51 N ATOM 844 NH2 ARG A 56 -2.519 4.671 -2.152 1.00 1.57 N ATOM 0 H ARG A 56 1.226 0.405 -4.192 1.00 0.38 H new ATOM 0 HA ARG A 56 3.329 2.443 -4.486 1.00 0.42 H new ATOM 0 HB2 ARG A 56 1.022 2.876 -5.435 1.00 0.56 H new ATOM 0 HB3 ARG A 56 0.374 2.769 -3.810 1.00 0.56 H new ATOM 0 HG2 ARG A 56 1.968 4.661 -3.162 1.00 0.78 H new ATOM 0 HG3 ARG A 56 2.335 4.838 -4.867 1.00 0.78 H new ATOM 0 HD2 ARG A 56 0.645 6.432 -4.473 1.00 0.79 H new ATOM 0 HD3 ARG A 56 -0.194 5.102 -5.246 1.00 0.79 H new ATOM 0 HE ARG A 56 -0.312 5.783 -2.335 1.00 0.89 H new ATOM 0 HH11 ARG A 56 -1.485 3.943 -5.108 1.00 1.51 H new ATOM 0 HH12 ARG A 56 -2.976 3.457 -4.296 1.00 1.51 H new ATOM 0 HH21 ARG A 56 -2.243 5.197 -1.323 1.00 1.57 H new ATOM 0 HH22 ARG A 56 -3.404 4.164 -2.163 1.00 1.57 H new ATOM 858 N ILE A 57 3.534 3.093 -2.078 1.00 0.40 N ATOM 859 CA ILE A 57 3.752 3.409 -0.674 1.00 0.38 C ATOM 860 C ILE A 57 2.595 4.256 -0.155 1.00 0.38 C ATOM 861 O ILE A 57 2.295 5.314 -0.711 1.00 0.49 O ATOM 862 CB ILE A 57 5.073 4.191 -0.476 1.00 0.46 C ATOM 863 CG1 ILE A 57 6.249 3.466 -1.141 1.00 0.53 C ATOM 864 CG2 ILE A 57 5.360 4.416 1.003 1.00 0.45 C ATOM 865 CD1 ILE A 57 6.544 2.102 -0.558 1.00 0.68 C ATOM 0 H ILE A 57 4.145 3.602 -2.717 1.00 0.40 H new ATOM 0 HA ILE A 57 3.813 2.471 -0.122 1.00 0.38 H new ATOM 0 HB ILE A 57 4.954 5.163 -0.955 1.00 0.46 H new ATOM 0 HG12 ILE A 57 6.039 3.357 -2.205 1.00 0.53 H new ATOM 0 HG13 ILE A 57 7.141 4.087 -1.054 1.00 0.53 H new ATOM 0 HG21 ILE A 57 6.294 4.968 1.113 1.00 0.45 H new ATOM 0 HG22 ILE A 57 4.546 4.988 1.449 1.00 0.45 H new ATOM 0 HG23 ILE A 57 5.446 3.454 1.508 1.00 0.45 H new ATOM 0 HD11 ILE A 57 7.389 1.657 -1.084 1.00 0.68 H new ATOM 0 HD12 ILE A 57 6.787 2.203 0.500 1.00 0.68 H new ATOM 0 HD13 ILE A 57 5.669 1.462 -0.669 1.00 0.68 H new ATOM 877 N VAL A 58 1.951 3.789 0.901 1.00 0.29 N ATOM 878 CA VAL A 58 0.832 4.503 1.499 1.00 0.32 C ATOM 879 C VAL A 58 1.222 5.019 2.876 1.00 0.30 C ATOM 880 O VAL A 58 1.014 6.187 3.207 1.00 0.37 O ATOM 881 CB VAL A 58 -0.410 3.594 1.633 1.00 0.37 C ATOM 882 CG1 VAL A 58 -1.598 4.381 2.166 1.00 0.87 C ATOM 883 CG2 VAL A 58 -0.750 2.948 0.299 1.00 0.62 C ATOM 0 H VAL A 58 2.185 2.912 1.366 1.00 0.29 H new ATOM 0 HA VAL A 58 0.583 5.337 0.843 1.00 0.32 H new ATOM 0 HB VAL A 58 -0.177 2.803 2.346 1.00 0.37 H new ATOM 0 HG11 VAL A 58 -2.462 3.722 2.253 1.00 0.87 H new ATOM 0 HG12 VAL A 58 -1.353 4.789 3.147 1.00 0.87 H new ATOM 0 HG13 VAL A 58 -1.831 5.196 1.481 1.00 0.87 H new ATOM 0 HG21 VAL A 58 -1.628 2.312 0.416 1.00 0.62 H new ATOM 0 HG22 VAL A 58 -0.959 3.723 -0.438 1.00 0.62 H new ATOM 0 HG23 VAL A 58 0.093 2.345 -0.038 1.00 0.62 H new ATOM 893 N GLU A 59 1.803 4.134 3.670 1.00 0.24 N ATOM 894 CA GLU A 59 2.289 4.487 4.994 1.00 0.25 C ATOM 895 C GLU A 59 3.751 4.103 5.131 1.00 0.22 C ATOM 896 O GLU A 59 4.199 3.114 4.549 1.00 0.23 O ATOM 897 CB GLU A 59 1.478 3.795 6.096 1.00 0.29 C ATOM 898 CG GLU A 59 0.160 4.471 6.421 1.00 0.40 C ATOM 899 CD GLU A 59 -0.485 3.892 7.666 1.00 0.44 C ATOM 900 OE1 GLU A 59 0.022 4.151 8.779 1.00 0.89 O ATOM 901 OE2 GLU A 59 -1.493 3.172 7.542 1.00 0.43 O ATOM 0 H GLU A 59 1.950 3.157 3.417 1.00 0.24 H new ATOM 0 HA GLU A 59 2.175 5.565 5.110 1.00 0.25 H new ATOM 0 HB2 GLU A 59 1.280 2.767 5.794 1.00 0.29 H new ATOM 0 HB3 GLU A 59 2.083 3.750 7.002 1.00 0.29 H new ATOM 0 HG2 GLU A 59 0.326 5.539 6.562 1.00 0.40 H new ATOM 0 HG3 GLU A 59 -0.521 4.363 5.577 1.00 0.40 H new ATOM 908 N VAL A 60 4.487 4.894 5.884 1.00 0.22 N ATOM 909 CA VAL A 60 5.861 4.577 6.214 1.00 0.21 C ATOM 910 C VAL A 60 6.119 4.863 7.688 1.00 0.22 C ATOM 911 O VAL A 60 5.905 5.979 8.164 1.00 0.27 O ATOM 912 CB VAL A 60 6.866 5.346 5.322 1.00 0.23 C ATOM 913 CG1 VAL A 60 6.545 6.828 5.285 1.00 0.54 C ATOM 914 CG2 VAL A 60 8.292 5.122 5.800 1.00 0.66 C ATOM 0 H VAL A 60 4.152 5.771 6.283 1.00 0.22 H new ATOM 0 HA VAL A 60 6.014 3.515 6.022 1.00 0.21 H new ATOM 0 HB VAL A 60 6.776 4.956 4.308 1.00 0.23 H new ATOM 0 HG11 VAL A 60 7.268 7.341 4.651 1.00 0.54 H new ATOM 0 HG12 VAL A 60 5.542 6.973 4.883 1.00 0.54 H new ATOM 0 HG13 VAL A 60 6.594 7.236 6.295 1.00 0.54 H new ATOM 0 HG21 VAL A 60 8.981 5.672 5.159 1.00 0.66 H new ATOM 0 HG22 VAL A 60 8.391 5.475 6.826 1.00 0.66 H new ATOM 0 HG23 VAL A 60 8.527 4.058 5.758 1.00 0.66 H new ATOM 924 N ASN A 61 6.515 3.821 8.414 1.00 0.25 N ATOM 925 CA ASN A 61 6.809 3.911 9.845 1.00 0.30 C ATOM 926 C ASN A 61 5.565 4.320 10.636 1.00 0.36 C ATOM 927 O ASN A 61 5.660 4.842 11.748 1.00 0.47 O ATOM 928 CB ASN A 61 7.961 4.893 10.108 1.00 0.39 C ATOM 929 CG ASN A 61 9.248 4.473 9.419 1.00 0.53 C ATOM 930 OD1 ASN A 61 9.504 3.283 9.228 1.00 1.17 O ATOM 931 ND2 ASN A 61 10.065 5.444 9.034 1.00 0.61 N ATOM 0 H ASN A 61 6.642 2.886 8.027 1.00 0.25 H new ATOM 0 HA ASN A 61 7.118 2.922 10.184 1.00 0.30 H new ATOM 0 HB2 ASN A 61 7.674 5.886 9.762 1.00 0.39 H new ATOM 0 HB3 ASN A 61 8.134 4.967 11.182 1.00 0.39 H new ATOM 0 HD21 ASN A 61 10.940 5.217 8.562 1.00 0.61 H new ATOM 0 HD22 ASN A 61 9.818 6.418 9.210 1.00 0.61 H new ATOM 938 N GLY A 62 4.400 4.065 10.055 1.00 0.37 N ATOM 939 CA GLY A 62 3.153 4.381 10.719 1.00 0.50 C ATOM 940 C GLY A 62 2.640 5.763 10.368 1.00 0.51 C ATOM 941 O GLY A 62 1.704 6.261 10.992 1.00 0.66 O ATOM 0 H GLY A 62 4.298 3.643 9.132 1.00 0.37 H new ATOM 0 HA2 GLY A 62 2.402 3.639 10.447 1.00 0.50 H new ATOM 0 HA3 GLY A 62 3.293 4.312 11.798 1.00 0.50 H new ATOM 945 N VAL A 63 3.266 6.399 9.388 1.00 0.42 N ATOM 946 CA VAL A 63 2.820 7.705 8.928 1.00 0.50 C ATOM 947 C VAL A 63 2.306 7.618 7.500 1.00 0.43 C ATOM 948 O VAL A 63 2.985 7.102 6.611 1.00 0.39 O ATOM 949 CB VAL A 63 3.946 8.758 9.002 1.00 0.61 C ATOM 950 CG1 VAL A 63 3.419 10.134 8.620 1.00 0.98 C ATOM 951 CG2 VAL A 63 4.573 8.788 10.390 1.00 1.17 C ATOM 0 H VAL A 63 4.082 6.033 8.898 1.00 0.42 H new ATOM 0 HA VAL A 63 2.015 8.020 9.592 1.00 0.50 H new ATOM 0 HB VAL A 63 4.720 8.477 8.288 1.00 0.61 H new ATOM 0 HG11 VAL A 63 4.228 10.862 8.678 1.00 0.98 H new ATOM 0 HG12 VAL A 63 3.030 10.105 7.602 1.00 0.98 H new ATOM 0 HG13 VAL A 63 2.622 10.421 9.305 1.00 0.98 H new ATOM 0 HG21 VAL A 63 5.364 9.538 10.416 1.00 1.17 H new ATOM 0 HG22 VAL A 63 3.811 9.038 11.128 1.00 1.17 H new ATOM 0 HG23 VAL A 63 4.994 7.809 10.620 1.00 1.17 H new ATOM 961 N CYS A 64 1.103 8.122 7.291 1.00 0.49 N ATOM 962 CA CYS A 64 0.468 8.084 5.992 1.00 0.49 C ATOM 963 C CYS A 64 1.047 9.157 5.070 1.00 0.47 C ATOM 964 O CYS A 64 1.139 10.332 5.437 1.00 0.51 O ATOM 965 CB CYS A 64 -1.035 8.255 6.173 1.00 0.59 C ATOM 966 SG CYS A 64 -1.502 9.627 7.256 1.00 1.68 S ATOM 0 H CYS A 64 0.542 8.568 8.017 1.00 0.49 H new ATOM 0 HA CYS A 64 0.661 7.122 5.518 1.00 0.49 H new ATOM 0 HB2 CYS A 64 -1.492 8.407 5.195 1.00 0.59 H new ATOM 0 HB3 CYS A 64 -1.448 7.331 6.578 1.00 0.59 H new ATOM 0 HG CYS A 64 -0.677 10.617 7.083 1.00 1.68 H new ATOM 972 N MET A 65 1.443 8.750 3.872 1.00 0.48 N ATOM 973 CA MET A 65 2.125 9.648 2.952 1.00 0.53 C ATOM 974 C MET A 65 1.330 9.873 1.674 1.00 0.61 C ATOM 975 O MET A 65 1.899 10.180 0.624 1.00 0.81 O ATOM 976 CB MET A 65 3.519 9.116 2.625 1.00 0.61 C ATOM 977 CG MET A 65 4.475 9.181 3.803 1.00 0.63 C ATOM 978 SD MET A 65 4.611 10.844 4.491 1.00 0.61 S ATOM 979 CE MET A 65 5.774 10.572 5.824 1.00 0.74 C ATOM 0 H MET A 65 1.304 7.805 3.515 1.00 0.48 H new ATOM 0 HA MET A 65 2.218 10.613 3.450 1.00 0.53 H new ATOM 0 HB2 MET A 65 3.437 8.082 2.289 1.00 0.61 H new ATOM 0 HB3 MET A 65 3.934 9.689 1.796 1.00 0.61 H new ATOM 0 HG2 MET A 65 4.136 8.496 4.580 1.00 0.63 H new ATOM 0 HG3 MET A 65 5.461 8.841 3.486 1.00 0.63 H new ATOM 0 HE1 MET A 65 5.999 11.521 6.310 1.00 0.74 H new ATOM 0 HE2 MET A 65 5.340 9.886 6.551 1.00 0.74 H new ATOM 0 HE3 MET A 65 6.692 10.143 5.424 1.00 0.74 H new ATOM 989 N GLU A 66 0.017 9.738 1.768 1.00 0.83 N ATOM 990 CA GLU A 66 -0.860 10.055 0.650 1.00 1.01 C ATOM 991 C GLU A 66 -0.863 11.558 0.391 1.00 1.08 C ATOM 992 O GLU A 66 -1.297 12.343 1.240 1.00 1.86 O ATOM 993 CB GLU A 66 -2.283 9.570 0.925 1.00 1.29 C ATOM 994 CG GLU A 66 -2.429 8.060 0.863 1.00 2.19 C ATOM 995 CD GLU A 66 -2.070 7.500 -0.499 1.00 3.03 C ATOM 996 OE1 GLU A 66 -2.497 8.085 -1.520 1.00 3.33 O ATOM 997 OE2 GLU A 66 -1.376 6.465 -0.558 1.00 3.75 O ATOM 0 H GLU A 66 -0.465 9.412 2.605 1.00 0.83 H new ATOM 0 HA GLU A 66 -0.484 9.542 -0.235 1.00 1.01 H new ATOM 0 HB2 GLU A 66 -2.593 9.917 1.911 1.00 1.29 H new ATOM 0 HB3 GLU A 66 -2.960 10.023 0.200 1.00 1.29 H new ATOM 0 HG2 GLU A 66 -1.790 7.605 1.620 1.00 2.19 H new ATOM 0 HG3 GLU A 66 -3.456 7.787 1.106 1.00 2.19 H new ATOM 1004 N GLY A 67 -0.358 11.950 -0.771 1.00 1.21 N ATOM 1005 CA GLY A 67 -0.312 13.355 -1.126 1.00 1.36 C ATOM 1006 C GLY A 67 1.005 14.017 -0.753 1.00 1.24 C ATOM 1007 O GLY A 67 1.139 15.235 -0.854 1.00 1.47 O ATOM 0 H GLY A 67 0.022 11.318 -1.476 1.00 1.21 H new ATOM 0 HA2 GLY A 67 -0.474 13.459 -2.199 1.00 1.36 H new ATOM 0 HA3 GLY A 67 -1.129 13.877 -0.628 1.00 1.36 H new ATOM 1011 N LYS A 68 1.971 13.218 -0.316 1.00 0.97 N ATOM 1012 CA LYS A 68 3.288 13.736 0.049 1.00 0.87 C ATOM 1013 C LYS A 68 4.230 13.675 -1.151 1.00 0.90 C ATOM 1014 O LYS A 68 3.928 13.023 -2.150 1.00 1.06 O ATOM 1015 CB LYS A 68 3.870 12.929 1.210 1.00 0.73 C ATOM 1016 CG LYS A 68 2.937 12.826 2.406 1.00 1.24 C ATOM 1017 CD LYS A 68 2.691 14.173 3.061 1.00 2.01 C ATOM 1018 CE LYS A 68 1.657 14.067 4.173 1.00 2.81 C ATOM 1019 NZ LYS A 68 2.080 13.138 5.257 1.00 3.36 N ATOM 0 H LYS A 68 1.869 12.209 -0.205 1.00 0.97 H new ATOM 0 HA LYS A 68 3.179 14.775 0.360 1.00 0.87 H new ATOM 0 HB2 LYS A 68 4.111 11.925 0.860 1.00 0.73 H new ATOM 0 HB3 LYS A 68 4.806 13.388 1.528 1.00 0.73 H new ATOM 0 HG2 LYS A 68 1.986 12.400 2.087 1.00 1.24 H new ATOM 0 HG3 LYS A 68 3.363 12.140 3.139 1.00 1.24 H new ATOM 0 HD2 LYS A 68 3.626 14.559 3.467 1.00 2.01 H new ATOM 0 HD3 LYS A 68 2.350 14.887 2.312 1.00 2.01 H new ATOM 0 HE2 LYS A 68 1.479 15.056 4.595 1.00 2.81 H new ATOM 0 HE3 LYS A 68 0.711 13.725 3.754 1.00 2.81 H new ATOM 0 HZ1 LYS A 68 1.955 13.601 6.180 1.00 3.36 H new ATOM 0 HZ2 LYS A 68 1.500 12.275 5.221 1.00 3.36 H new ATOM 0 HZ3 LYS A 68 3.081 12.888 5.129 1.00 3.36 H new ATOM 1033 N GLN A 69 5.368 14.352 -1.046 1.00 0.87 N ATOM 1034 CA GLN A 69 6.325 14.411 -2.145 1.00 0.93 C ATOM 1035 C GLN A 69 7.420 13.363 -1.975 1.00 0.81 C ATOM 1036 O GLN A 69 7.477 12.680 -0.948 1.00 0.74 O ATOM 1037 CB GLN A 69 6.970 15.793 -2.231 1.00 1.07 C ATOM 1038 CG GLN A 69 5.983 16.939 -2.361 1.00 1.33 C ATOM 1039 CD GLN A 69 6.679 18.278 -2.495 1.00 2.12 C ATOM 1040 OE1 GLN A 69 6.964 18.734 -3.603 1.00 2.64 O ATOM 1041 NE2 GLN A 69 6.974 18.908 -1.370 1.00 2.89 N ATOM 0 H GLN A 69 5.650 14.867 -0.212 1.00 0.87 H new ATOM 0 HA GLN A 69 5.775 14.210 -3.064 1.00 0.93 H new ATOM 0 HB2 GLN A 69 7.578 15.953 -1.341 1.00 1.07 H new ATOM 0 HB3 GLN A 69 7.646 15.813 -3.086 1.00 1.07 H new ATOM 0 HG2 GLN A 69 5.347 16.773 -3.231 1.00 1.33 H new ATOM 0 HG3 GLN A 69 5.331 16.956 -1.488 1.00 1.33 H new ATOM 0 HE21 GLN A 69 6.720 18.495 -0.473 1.00 2.89 H new ATOM 0 HE22 GLN A 69 7.456 19.807 -1.400 1.00 2.89 H new ATOM 1050 N HIS A 70 8.304 13.259 -2.964 1.00 0.84 N ATOM 1051 CA HIS A 70 9.385 12.275 -2.934 1.00 0.79 C ATOM 1052 C HIS A 70 10.271 12.480 -1.709 1.00 0.70 C ATOM 1053 O HIS A 70 10.619 11.523 -1.015 1.00 0.65 O ATOM 1054 CB HIS A 70 10.224 12.387 -4.217 1.00 0.88 C ATOM 1055 CG HIS A 70 11.403 11.457 -4.289 1.00 0.90 C ATOM 1056 ND1 HIS A 70 11.415 10.322 -5.065 1.00 1.42 N ATOM 1057 CD2 HIS A 70 12.621 11.512 -3.695 1.00 1.37 C ATOM 1058 CE1 HIS A 70 12.582 9.718 -4.946 1.00 1.31 C ATOM 1059 NE2 HIS A 70 13.332 10.421 -4.123 1.00 1.13 N ATOM 0 H HIS A 70 8.294 13.845 -3.799 1.00 0.84 H new ATOM 0 HA HIS A 70 8.947 11.279 -2.875 1.00 0.79 H new ATOM 0 HB2 HIS A 70 9.577 12.197 -5.074 1.00 0.88 H new ATOM 0 HB3 HIS A 70 10.583 13.412 -4.310 1.00 0.88 H new ATOM 0 HD1 HIS A 70 10.641 9.997 -5.644 1.00 1.42 H new ATOM 0 HD2 HIS A 70 12.966 12.274 -3.012 1.00 1.37 H new ATOM 0 HE1 HIS A 70 12.873 8.803 -5.440 1.00 1.31 H new ATOM 1068 N GLY A 71 10.603 13.736 -1.434 1.00 0.72 N ATOM 1069 CA GLY A 71 11.488 14.047 -0.331 1.00 0.69 C ATOM 1070 C GLY A 71 10.873 13.703 1.007 1.00 0.62 C ATOM 1071 O GLY A 71 11.551 13.184 1.892 1.00 0.62 O ATOM 0 H GLY A 71 10.273 14.546 -1.958 1.00 0.72 H new ATOM 0 HA2 GLY A 71 12.423 13.499 -0.451 1.00 0.69 H new ATOM 0 HA3 GLY A 71 11.735 15.108 -0.354 1.00 0.69 H new ATOM 1075 N ASP A 72 9.581 13.969 1.135 1.00 0.61 N ATOM 1076 CA ASP A 72 8.858 13.733 2.381 1.00 0.58 C ATOM 1077 C ASP A 72 8.853 12.255 2.742 1.00 0.49 C ATOM 1078 O ASP A 72 9.145 11.881 3.881 1.00 0.44 O ATOM 1079 CB ASP A 72 7.418 14.240 2.262 1.00 0.68 C ATOM 1080 CG ASP A 72 7.344 15.741 2.091 1.00 1.16 C ATOM 1081 OD1 ASP A 72 7.602 16.233 0.969 1.00 2.03 O ATOM 1082 OD2 ASP A 72 7.026 16.436 3.076 1.00 1.47 O ATOM 0 H ASP A 72 9.006 14.352 0.385 1.00 0.61 H new ATOM 0 HA ASP A 72 9.370 14.279 3.173 1.00 0.58 H new ATOM 0 HB2 ASP A 72 6.935 13.757 1.413 1.00 0.68 H new ATOM 0 HB3 ASP A 72 6.860 13.951 3.153 1.00 0.68 H new ATOM 1087 N VAL A 73 8.539 11.416 1.764 1.00 0.50 N ATOM 1088 CA VAL A 73 8.461 9.980 1.989 1.00 0.45 C ATOM 1089 C VAL A 73 9.845 9.392 2.250 1.00 0.44 C ATOM 1090 O VAL A 73 10.042 8.651 3.213 1.00 0.43 O ATOM 1091 CB VAL A 73 7.818 9.256 0.785 1.00 0.51 C ATOM 1092 CG1 VAL A 73 7.687 7.763 1.053 1.00 1.08 C ATOM 1093 CG2 VAL A 73 6.460 9.858 0.458 1.00 0.97 C ATOM 0 H VAL A 73 8.334 11.706 0.808 1.00 0.50 H new ATOM 0 HA VAL A 73 7.834 9.827 2.868 1.00 0.45 H new ATOM 0 HB VAL A 73 8.473 9.391 -0.076 1.00 0.51 H new ATOM 0 HG11 VAL A 73 7.232 7.277 0.190 1.00 1.08 H new ATOM 0 HG12 VAL A 73 8.675 7.337 1.230 1.00 1.08 H new ATOM 0 HG13 VAL A 73 7.061 7.605 1.931 1.00 1.08 H new ATOM 0 HG21 VAL A 73 6.025 9.334 -0.393 1.00 0.97 H new ATOM 0 HG22 VAL A 73 5.801 9.760 1.321 1.00 0.97 H new ATOM 0 HG23 VAL A 73 6.580 10.913 0.211 1.00 0.97 H new ATOM 1103 N VAL A 74 10.811 9.754 1.410 1.00 0.49 N ATOM 1104 CA VAL A 74 12.164 9.218 1.529 1.00 0.53 C ATOM 1105 C VAL A 74 12.816 9.652 2.839 1.00 0.51 C ATOM 1106 O VAL A 74 13.455 8.847 3.518 1.00 0.52 O ATOM 1107 CB VAL A 74 13.049 9.638 0.333 1.00 0.64 C ATOM 1108 CG1 VAL A 74 14.496 9.215 0.540 1.00 0.72 C ATOM 1109 CG2 VAL A 74 12.508 9.041 -0.957 1.00 0.70 C ATOM 0 H VAL A 74 10.683 10.414 0.642 1.00 0.49 H new ATOM 0 HA VAL A 74 12.078 8.131 1.525 1.00 0.53 H new ATOM 0 HB VAL A 74 13.023 10.725 0.262 1.00 0.64 H new ATOM 0 HG11 VAL A 74 15.092 9.525 -0.318 1.00 0.72 H new ATOM 0 HG12 VAL A 74 14.887 9.685 1.442 1.00 0.72 H new ATOM 0 HG13 VAL A 74 14.547 8.131 0.645 1.00 0.72 H new ATOM 0 HG21 VAL A 74 13.140 9.344 -1.792 1.00 0.70 H new ATOM 0 HG22 VAL A 74 12.504 7.954 -0.881 1.00 0.70 H new ATOM 0 HG23 VAL A 74 11.491 9.397 -1.124 1.00 0.70 H new ATOM 1119 N SER A 75 12.628 10.914 3.209 1.00 0.51 N ATOM 1120 CA SER A 75 13.206 11.431 4.439 1.00 0.52 C ATOM 1121 C SER A 75 12.609 10.704 5.642 1.00 0.47 C ATOM 1122 O SER A 75 13.302 10.429 6.621 1.00 0.51 O ATOM 1123 CB SER A 75 12.976 12.943 4.548 1.00 0.58 C ATOM 1124 OG SER A 75 13.855 13.528 5.494 1.00 0.66 O ATOM 0 H SER A 75 12.083 11.592 2.677 1.00 0.51 H new ATOM 0 HA SER A 75 14.281 11.254 4.424 1.00 0.52 H new ATOM 0 HB2 SER A 75 13.125 13.407 3.573 1.00 0.58 H new ATOM 0 HB3 SER A 75 11.943 13.137 4.839 1.00 0.58 H new ATOM 0 HG SER A 75 13.688 14.492 5.543 1.00 0.66 H new ATOM 1130 N ALA A 76 11.326 10.369 5.548 1.00 0.42 N ATOM 1131 CA ALA A 76 10.646 9.642 6.609 1.00 0.39 C ATOM 1132 C ALA A 76 11.224 8.240 6.766 1.00 0.37 C ATOM 1133 O ALA A 76 11.408 7.759 7.882 1.00 0.39 O ATOM 1134 CB ALA A 76 9.156 9.566 6.333 1.00 0.39 C ATOM 0 H ALA A 76 10.737 10.591 4.745 1.00 0.42 H new ATOM 0 HA ALA A 76 10.802 10.184 7.542 1.00 0.39 H new ATOM 0 HB1 ALA A 76 8.664 9.019 7.137 1.00 0.39 H new ATOM 0 HB2 ALA A 76 8.745 10.574 6.276 1.00 0.39 H new ATOM 0 HB3 ALA A 76 8.987 9.051 5.387 1.00 0.39 H new ATOM 1140 N ILE A 77 11.507 7.591 5.637 1.00 0.37 N ATOM 1141 CA ILE A 77 12.113 6.263 5.639 1.00 0.39 C ATOM 1142 C ILE A 77 13.475 6.302 6.322 1.00 0.41 C ATOM 1143 O ILE A 77 13.780 5.468 7.175 1.00 0.44 O ATOM 1144 CB ILE A 77 12.286 5.730 4.200 1.00 0.45 C ATOM 1145 CG1 ILE A 77 10.932 5.678 3.490 1.00 0.53 C ATOM 1146 CG2 ILE A 77 12.937 4.350 4.208 1.00 0.50 C ATOM 1147 CD1 ILE A 77 11.035 5.432 2.003 1.00 0.69 C ATOM 0 H ILE A 77 11.325 7.967 4.706 1.00 0.37 H new ATOM 0 HA ILE A 77 11.446 5.597 6.187 1.00 0.39 H new ATOM 0 HB ILE A 77 12.941 6.411 3.657 1.00 0.45 H new ATOM 0 HG12 ILE A 77 10.327 4.890 3.939 1.00 0.53 H new ATOM 0 HG13 ILE A 77 10.407 6.618 3.658 1.00 0.53 H new ATOM 0 HG21 ILE A 77 13.049 3.995 3.184 1.00 0.50 H new ATOM 0 HG22 ILE A 77 13.918 4.413 4.679 1.00 0.50 H new ATOM 0 HG23 ILE A 77 12.310 3.655 4.767 1.00 0.50 H new ATOM 0 HD11 ILE A 77 10.036 5.408 1.568 1.00 0.69 H new ATOM 0 HD12 ILE A 77 11.613 6.232 1.541 1.00 0.69 H new ATOM 0 HD13 ILE A 77 11.531 4.478 1.826 1.00 0.69 H new ATOM 1159 N ARG A 78 14.276 7.300 5.967 1.00 0.43 N ATOM 1160 CA ARG A 78 15.614 7.443 6.523 1.00 0.50 C ATOM 1161 C ARG A 78 15.550 7.801 8.005 1.00 0.50 C ATOM 1162 O ARG A 78 16.449 7.461 8.780 1.00 0.56 O ATOM 1163 CB ARG A 78 16.396 8.511 5.759 1.00 0.58 C ATOM 1164 CG ARG A 78 16.451 8.267 4.260 1.00 0.66 C ATOM 1165 CD ARG A 78 17.317 9.298 3.558 1.00 0.89 C ATOM 1166 NE ARG A 78 18.729 9.154 3.906 1.00 1.59 N ATOM 1167 CZ ARG A 78 19.526 10.171 4.231 1.00 2.11 C ATOM 1168 NH1 ARG A 78 19.033 11.402 4.333 1.00 2.12 N ATOM 1169 NH2 ARG A 78 20.813 9.956 4.471 1.00 3.09 N ATOM 0 H ARG A 78 14.020 8.023 5.295 1.00 0.43 H new ATOM 0 HA ARG A 78 16.128 6.487 6.421 1.00 0.50 H new ATOM 0 HB2 ARG A 78 15.942 9.484 5.944 1.00 0.58 H new ATOM 0 HB3 ARG A 78 17.413 8.554 6.149 1.00 0.58 H new ATOM 0 HG2 ARG A 78 16.844 7.269 4.067 1.00 0.66 H new ATOM 0 HG3 ARG A 78 15.442 8.297 3.848 1.00 0.66 H new ATOM 0 HD2 ARG A 78 17.197 9.198 2.479 1.00 0.89 H new ATOM 0 HD3 ARG A 78 16.978 10.299 3.825 1.00 0.89 H new ATOM 0 HE ARG A 78 19.130 8.216 3.900 1.00 1.59 H new ATOM 0 HH11 ARG A 78 18.042 11.570 4.162 1.00 2.12 H new ATOM 0 HH12 ARG A 78 19.646 12.178 4.582 1.00 2.12 H new ATOM 0 HH21 ARG A 78 21.193 9.012 4.407 1.00 3.09 H new ATOM 0 HH22 ARG A 78 21.423 10.735 4.720 1.00 3.09 H new ATOM 1183 N ALA A 79 14.472 8.468 8.399 1.00 0.47 N ATOM 1184 CA ALA A 79 14.277 8.864 9.786 1.00 0.51 C ATOM 1185 C ALA A 79 13.642 7.736 10.591 1.00 0.43 C ATOM 1186 O ALA A 79 13.234 7.930 11.737 1.00 0.46 O ATOM 1187 CB ALA A 79 13.424 10.122 9.863 1.00 0.65 C ATOM 0 H ALA A 79 13.717 8.747 7.773 1.00 0.47 H new ATOM 0 HA ALA A 79 15.254 9.079 10.220 1.00 0.51 H new ATOM 0 HB1 ALA A 79 13.287 10.405 10.907 1.00 0.65 H new ATOM 0 HB2 ALA A 79 13.921 10.932 9.329 1.00 0.65 H new ATOM 0 HB3 ALA A 79 12.452 9.931 9.408 1.00 0.65 H new ATOM 1193 N GLY A 80 13.548 6.561 9.980 1.00 0.41 N ATOM 1194 CA GLY A 80 13.035 5.401 10.677 1.00 0.42 C ATOM 1195 C GLY A 80 14.110 4.717 11.495 1.00 0.46 C ATOM 1196 O GLY A 80 13.815 3.985 12.440 1.00 0.60 O ATOM 0 H GLY A 80 13.819 6.393 9.011 1.00 0.41 H new ATOM 0 HA2 GLY A 80 12.217 5.702 11.331 1.00 0.42 H new ATOM 0 HA3 GLY A 80 12.623 4.696 9.955 1.00 0.42 H new ATOM 1200 N GLY A 81 15.360 4.966 11.136 1.00 0.49 N ATOM 1201 CA GLY A 81 16.467 4.376 11.854 1.00 0.63 C ATOM 1202 C GLY A 81 17.069 3.208 11.106 1.00 0.64 C ATOM 1203 O GLY A 81 17.371 3.312 9.915 1.00 1.10 O ATOM 0 H GLY A 81 15.627 5.568 10.357 1.00 0.49 H new ATOM 0 HA2 GLY A 81 17.234 5.132 12.023 1.00 0.63 H new ATOM 0 HA3 GLY A 81 16.127 4.042 12.834 1.00 0.63 H new ATOM 1207 N ASP A 82 17.229 2.092 11.798 1.00 0.43 N ATOM 1208 CA ASP A 82 17.841 0.900 11.220 1.00 0.44 C ATOM 1209 C ASP A 82 16.839 0.124 10.377 1.00 0.39 C ATOM 1210 O ASP A 82 17.218 -0.610 9.469 1.00 0.55 O ATOM 1211 CB ASP A 82 18.399 -0.001 12.330 1.00 0.55 C ATOM 1212 CG ASP A 82 17.316 -0.556 13.243 1.00 1.41 C ATOM 1213 OD1 ASP A 82 16.602 0.244 13.888 1.00 1.97 O ATOM 1214 OD2 ASP A 82 17.189 -1.794 13.342 1.00 2.12 O ATOM 0 H ASP A 82 16.941 1.984 12.771 1.00 0.43 H new ATOM 0 HA ASP A 82 18.658 1.220 10.573 1.00 0.44 H new ATOM 0 HB2 ASP A 82 18.946 -0.829 11.878 1.00 0.55 H new ATOM 0 HB3 ASP A 82 19.114 0.566 12.926 1.00 0.55 H new ATOM 1219 N GLU A 83 15.563 0.302 10.663 1.00 0.38 N ATOM 1220 CA GLU A 83 14.517 -0.409 9.946 1.00 0.39 C ATOM 1221 C GLU A 83 13.352 0.513 9.638 1.00 0.38 C ATOM 1222 O GLU A 83 13.212 1.579 10.241 1.00 0.53 O ATOM 1223 CB GLU A 83 14.035 -1.610 10.757 1.00 0.47 C ATOM 1224 CG GLU A 83 13.943 -1.324 12.237 1.00 0.86 C ATOM 1225 CD GLU A 83 13.010 -2.263 12.967 1.00 1.62 C ATOM 1226 OE1 GLU A 83 13.144 -3.494 12.801 1.00 2.11 O ATOM 1227 OE2 GLU A 83 12.164 -1.773 13.741 1.00 2.00 O ATOM 0 H GLU A 83 15.224 0.934 11.388 1.00 0.38 H new ATOM 0 HA GLU A 83 14.934 -0.765 9.004 1.00 0.39 H new ATOM 0 HB2 GLU A 83 13.056 -1.919 10.391 1.00 0.47 H new ATOM 0 HB3 GLU A 83 14.715 -2.447 10.596 1.00 0.47 H new ATOM 0 HG2 GLU A 83 14.938 -1.395 12.677 1.00 0.86 H new ATOM 0 HG3 GLU A 83 13.603 -0.299 12.382 1.00 0.86 H new ATOM 1234 N THR A 84 12.520 0.095 8.703 1.00 0.27 N ATOM 1235 CA THR A 84 11.380 0.880 8.290 1.00 0.26 C ATOM 1236 C THR A 84 10.202 -0.034 7.972 1.00 0.22 C ATOM 1237 O THR A 84 10.386 -1.191 7.578 1.00 0.21 O ATOM 1238 CB THR A 84 11.722 1.764 7.067 1.00 0.30 C ATOM 1239 OG1 THR A 84 10.626 2.640 6.767 1.00 0.32 O ATOM 1240 CG2 THR A 84 12.050 0.912 5.846 1.00 0.30 C ATOM 0 H THR A 84 12.617 -0.794 8.213 1.00 0.27 H new ATOM 0 HA THR A 84 11.106 1.540 9.113 1.00 0.26 H new ATOM 0 HB THR A 84 12.601 2.357 7.318 1.00 0.30 H new ATOM 0 HG1 THR A 84 10.182 2.905 7.599 1.00 0.32 H new ATOM 0 HG21 THR A 84 12.286 1.561 5.002 1.00 0.30 H new ATOM 0 HG22 THR A 84 12.907 0.276 6.066 1.00 0.30 H new ATOM 0 HG23 THR A 84 11.191 0.289 5.595 1.00 0.30 H new ATOM 1248 N LYS A 85 8.996 0.468 8.197 1.00 0.24 N ATOM 1249 CA LYS A 85 7.787 -0.278 7.890 1.00 0.23 C ATOM 1250 C LYS A 85 7.010 0.427 6.791 1.00 0.23 C ATOM 1251 O LYS A 85 6.556 1.556 6.967 1.00 0.26 O ATOM 1252 CB LYS A 85 6.916 -0.420 9.140 1.00 0.28 C ATOM 1253 CG LYS A 85 7.595 -1.170 10.273 1.00 0.37 C ATOM 1254 CD LYS A 85 6.764 -1.121 11.542 1.00 0.50 C ATOM 1255 CE LYS A 85 7.450 -1.847 12.687 1.00 0.78 C ATOM 1256 NZ LYS A 85 6.698 -1.710 13.963 1.00 1.63 N ATOM 0 H LYS A 85 8.830 1.393 8.593 1.00 0.24 H new ATOM 0 HA LYS A 85 8.067 -1.274 7.547 1.00 0.23 H new ATOM 0 HB2 LYS A 85 6.634 0.573 9.491 1.00 0.28 H new ATOM 0 HB3 LYS A 85 5.995 -0.938 8.874 1.00 0.28 H new ATOM 0 HG2 LYS A 85 7.755 -2.208 9.980 1.00 0.37 H new ATOM 0 HG3 LYS A 85 8.577 -0.737 10.462 1.00 0.37 H new ATOM 0 HD2 LYS A 85 6.587 -0.083 11.822 1.00 0.50 H new ATOM 0 HD3 LYS A 85 5.789 -1.571 11.357 1.00 0.50 H new ATOM 0 HE2 LYS A 85 7.552 -2.903 12.438 1.00 0.78 H new ATOM 0 HE3 LYS A 85 8.457 -1.451 12.816 1.00 0.78 H new ATOM 0 HZ1 LYS A 85 7.200 -2.220 14.718 1.00 1.63 H new ATOM 0 HZ2 LYS A 85 6.623 -0.704 14.215 1.00 1.63 H new ATOM 0 HZ3 LYS A 85 5.745 -2.111 13.849 1.00 1.63 H new ATOM 1270 N LEU A 86 6.855 -0.246 5.668 1.00 0.22 N ATOM 1271 CA LEU A 86 6.181 0.328 4.515 1.00 0.22 C ATOM 1272 C LEU A 86 4.827 -0.336 4.306 1.00 0.22 C ATOM 1273 O LEU A 86 4.703 -1.552 4.395 1.00 0.27 O ATOM 1274 CB LEU A 86 7.038 0.163 3.256 1.00 0.24 C ATOM 1275 CG LEU A 86 8.381 0.899 3.275 1.00 0.25 C ATOM 1276 CD1 LEU A 86 9.186 0.564 2.028 1.00 0.28 C ATOM 1277 CD2 LEU A 86 8.161 2.402 3.376 1.00 0.28 C ATOM 0 H LEU A 86 7.189 -1.199 5.527 1.00 0.22 H new ATOM 0 HA LEU A 86 6.030 1.391 4.703 1.00 0.22 H new ATOM 0 HB2 LEU A 86 7.227 -0.899 3.102 1.00 0.24 H new ATOM 0 HB3 LEU A 86 6.464 0.512 2.398 1.00 0.24 H new ATOM 0 HG LEU A 86 8.943 0.572 4.149 1.00 0.25 H new ATOM 0 HD11 LEU A 86 10.138 1.095 2.056 1.00 0.28 H new ATOM 0 HD12 LEU A 86 9.370 -0.510 1.991 1.00 0.28 H new ATOM 0 HD13 LEU A 86 8.628 0.867 1.142 1.00 0.28 H new ATOM 0 HD21 LEU A 86 9.125 2.911 3.388 1.00 0.28 H new ATOM 0 HD22 LEU A 86 7.582 2.743 2.518 1.00 0.28 H new ATOM 0 HD23 LEU A 86 7.619 2.629 4.294 1.00 0.28 H new ATOM 1289 N LEU A 87 3.817 0.468 4.042 1.00 0.20 N ATOM 1290 CA LEU A 87 2.497 -0.049 3.728 1.00 0.21 C ATOM 1291 C LEU A 87 2.236 0.108 2.241 1.00 0.21 C ATOM 1292 O LEU A 87 2.280 1.220 1.718 1.00 0.26 O ATOM 1293 CB LEU A 87 1.425 0.696 4.520 1.00 0.27 C ATOM 1294 CG LEU A 87 -0.008 0.242 4.248 1.00 0.39 C ATOM 1295 CD1 LEU A 87 -0.238 -1.150 4.803 1.00 0.51 C ATOM 1296 CD2 LEU A 87 -1.001 1.225 4.835 1.00 0.45 C ATOM 0 H LEU A 87 3.884 1.486 4.038 1.00 0.20 H new ATOM 0 HA LEU A 87 2.458 -1.104 4.000 1.00 0.21 H new ATOM 0 HB2 LEU A 87 1.632 0.578 5.584 1.00 0.27 H new ATOM 0 HB3 LEU A 87 1.502 1.760 4.296 1.00 0.27 H new ATOM 0 HG LEU A 87 -0.160 0.210 3.169 1.00 0.39 H new ATOM 0 HD11 LEU A 87 -1.264 -1.458 4.600 1.00 0.51 H new ATOM 0 HD12 LEU A 87 0.451 -1.849 4.329 1.00 0.51 H new ATOM 0 HD13 LEU A 87 -0.066 -1.145 5.879 1.00 0.51 H new ATOM 0 HD21 LEU A 87 -2.016 0.883 4.630 1.00 0.45 H new ATOM 0 HD22 LEU A 87 -0.852 1.293 5.913 1.00 0.45 H new ATOM 0 HD23 LEU A 87 -0.851 2.206 4.385 1.00 0.45 H new ATOM 1308 N VAL A 88 1.976 -1.002 1.566 1.00 0.20 N ATOM 1309 CA VAL A 88 1.780 -0.979 0.126 1.00 0.23 C ATOM 1310 C VAL A 88 0.481 -1.670 -0.274 1.00 0.24 C ATOM 1311 O VAL A 88 -0.053 -2.499 0.471 1.00 0.27 O ATOM 1312 CB VAL A 88 2.962 -1.641 -0.617 1.00 0.28 C ATOM 1313 CG1 VAL A 88 4.251 -0.868 -0.384 1.00 0.31 C ATOM 1314 CG2 VAL A 88 3.126 -3.097 -0.198 1.00 0.33 C ATOM 0 H VAL A 88 1.896 -1.926 1.991 1.00 0.20 H new ATOM 0 HA VAL A 88 1.724 0.070 -0.163 1.00 0.23 H new ATOM 0 HB VAL A 88 2.739 -1.619 -1.684 1.00 0.28 H new ATOM 0 HG11 VAL A 88 5.068 -1.354 -0.917 1.00 0.31 H new ATOM 0 HG12 VAL A 88 4.135 0.152 -0.750 1.00 0.31 H new ATOM 0 HG13 VAL A 88 4.475 -0.848 0.682 1.00 0.31 H new ATOM 0 HG21 VAL A 88 3.965 -3.538 -0.736 1.00 0.33 H new ATOM 0 HG22 VAL A 88 3.316 -3.148 0.874 1.00 0.33 H new ATOM 0 HG23 VAL A 88 2.215 -3.648 -0.432 1.00 0.33 H new ATOM 1324 N VAL A 89 -0.025 -1.304 -1.445 1.00 0.24 N ATOM 1325 CA VAL A 89 -1.239 -1.899 -1.994 1.00 0.27 C ATOM 1326 C VAL A 89 -1.013 -2.329 -3.438 1.00 0.34 C ATOM 1327 O VAL A 89 -0.358 -1.622 -4.209 1.00 0.42 O ATOM 1328 CB VAL A 89 -2.444 -0.926 -1.944 1.00 0.25 C ATOM 1329 CG1 VAL A 89 -2.926 -0.727 -0.519 1.00 0.29 C ATOM 1330 CG2 VAL A 89 -2.093 0.413 -2.573 1.00 0.30 C ATOM 0 H VAL A 89 0.392 -0.589 -2.040 1.00 0.24 H new ATOM 0 HA VAL A 89 -1.472 -2.765 -1.374 1.00 0.27 H new ATOM 0 HB VAL A 89 -3.252 -1.375 -2.521 1.00 0.25 H new ATOM 0 HG11 VAL A 89 -3.772 -0.040 -0.514 1.00 0.29 H new ATOM 0 HG12 VAL A 89 -3.235 -1.686 -0.102 1.00 0.29 H new ATOM 0 HG13 VAL A 89 -2.118 -0.312 0.084 1.00 0.29 H new ATOM 0 HG21 VAL A 89 -2.957 1.076 -2.524 1.00 0.30 H new ATOM 0 HG22 VAL A 89 -1.260 0.862 -2.032 1.00 0.30 H new ATOM 0 HG23 VAL A 89 -1.810 0.263 -3.615 1.00 0.30 H new ATOM 1340 N ASP A 90 -1.557 -3.489 -3.787 1.00 0.41 N ATOM 1341 CA ASP A 90 -1.444 -4.034 -5.140 1.00 0.51 C ATOM 1342 C ASP A 90 -2.268 -3.218 -6.115 1.00 0.48 C ATOM 1343 O ASP A 90 -3.028 -2.341 -5.705 1.00 0.45 O ATOM 1344 CB ASP A 90 -1.952 -5.477 -5.192 1.00 0.68 C ATOM 1345 CG ASP A 90 -1.496 -6.305 -4.022 1.00 1.20 C ATOM 1346 OD1 ASP A 90 -2.074 -6.151 -2.928 1.00 1.92 O ATOM 1347 OD2 ASP A 90 -0.567 -7.118 -4.190 1.00 1.86 O ATOM 0 H ASP A 90 -2.087 -4.078 -3.145 1.00 0.41 H new ATOM 0 HA ASP A 90 -0.389 -3.999 -5.414 1.00 0.51 H new ATOM 0 HB2 ASP A 90 -3.042 -5.472 -5.223 1.00 0.68 H new ATOM 0 HB3 ASP A 90 -1.609 -5.944 -6.115 1.00 0.68 H new ATOM 1352 N ARG A 91 -2.154 -3.523 -7.398 1.00 0.57 N ATOM 1353 CA ARG A 91 -2.974 -2.859 -8.398 1.00 0.61 C ATOM 1354 C ARG A 91 -4.446 -3.160 -8.143 1.00 0.55 C ATOM 1355 O ARG A 91 -5.264 -2.251 -8.049 1.00 0.55 O ATOM 1356 CB ARG A 91 -2.592 -3.319 -9.804 1.00 0.75 C ATOM 1357 CG ARG A 91 -3.481 -2.739 -10.895 1.00 0.82 C ATOM 1358 CD ARG A 91 -3.254 -3.443 -12.219 1.00 1.44 C ATOM 1359 NE ARG A 91 -4.181 -2.989 -13.256 1.00 2.25 N ATOM 1360 CZ ARG A 91 -5.129 -3.758 -13.788 1.00 3.13 C ATOM 1361 NH1 ARG A 91 -5.353 -4.966 -13.298 1.00 3.39 N ATOM 1362 NH2 ARG A 91 -5.877 -3.312 -14.791 1.00 4.16 N ATOM 0 H ARG A 91 -1.508 -4.220 -7.769 1.00 0.57 H new ATOM 0 HA ARG A 91 -2.803 -1.785 -8.325 1.00 0.61 H new ATOM 0 HB2 ARG A 91 -1.558 -3.038 -10.001 1.00 0.75 H new ATOM 0 HB3 ARG A 91 -2.640 -4.407 -9.847 1.00 0.75 H new ATOM 0 HG2 ARG A 91 -4.527 -2.834 -10.604 1.00 0.82 H new ATOM 0 HG3 ARG A 91 -3.277 -1.674 -11.007 1.00 0.82 H new ATOM 0 HD2 ARG A 91 -2.230 -3.269 -12.549 1.00 1.44 H new ATOM 0 HD3 ARG A 91 -3.366 -4.518 -12.080 1.00 1.44 H new ATOM 0 HE ARG A 91 -4.096 -2.029 -13.590 1.00 2.25 H new ATOM 0 HH11 ARG A 91 -4.800 -5.308 -12.513 1.00 3.39 H new ATOM 0 HH12 ARG A 91 -6.079 -5.555 -13.706 1.00 3.39 H new ATOM 0 HH21 ARG A 91 -5.728 -2.373 -15.160 1.00 4.16 H new ATOM 0 HH22 ARG A 91 -6.601 -3.909 -15.192 1.00 4.16 H new ATOM 1376 N GLU A 92 -4.759 -4.442 -7.962 1.00 0.57 N ATOM 1377 CA GLU A 92 -6.136 -4.873 -7.747 1.00 0.61 C ATOM 1378 C GLU A 92 -6.680 -4.286 -6.455 1.00 0.51 C ATOM 1379 O GLU A 92 -7.834 -3.862 -6.383 1.00 0.56 O ATOM 1380 CB GLU A 92 -6.230 -6.403 -7.709 1.00 0.74 C ATOM 1381 CG GLU A 92 -6.337 -7.062 -9.077 1.00 1.44 C ATOM 1382 CD GLU A 92 -5.115 -6.862 -9.952 1.00 1.98 C ATOM 1383 OE1 GLU A 92 -4.192 -7.703 -9.895 1.00 2.26 O ATOM 1384 OE2 GLU A 92 -5.079 -5.880 -10.716 1.00 2.68 O ATOM 0 H GLU A 92 -4.076 -5.200 -7.960 1.00 0.57 H new ATOM 0 HA GLU A 92 -6.737 -4.511 -8.581 1.00 0.61 H new ATOM 0 HB2 GLU A 92 -5.351 -6.796 -7.198 1.00 0.74 H new ATOM 0 HB3 GLU A 92 -7.098 -6.687 -7.114 1.00 0.74 H new ATOM 0 HG2 GLU A 92 -6.505 -8.131 -8.943 1.00 1.44 H new ATOM 0 HG3 GLU A 92 -7.211 -6.665 -9.594 1.00 1.44 H new ATOM 1391 N THR A 93 -5.827 -4.254 -5.447 1.00 0.44 N ATOM 1392 CA THR A 93 -6.174 -3.714 -4.149 1.00 0.38 C ATOM 1393 C THR A 93 -6.415 -2.206 -4.228 1.00 0.33 C ATOM 1394 O THR A 93 -7.404 -1.693 -3.705 1.00 0.37 O ATOM 1395 CB THR A 93 -5.039 -4.006 -3.153 1.00 0.36 C ATOM 1396 OG1 THR A 93 -4.724 -5.405 -3.195 1.00 0.47 O ATOM 1397 CG2 THR A 93 -5.421 -3.606 -1.739 1.00 0.36 C ATOM 0 H THR A 93 -4.871 -4.604 -5.508 1.00 0.44 H new ATOM 0 HA THR A 93 -7.095 -4.189 -3.812 1.00 0.38 H new ATOM 0 HB THR A 93 -4.169 -3.416 -3.441 1.00 0.36 H new ATOM 0 HG1 THR A 93 -3.757 -5.526 -3.091 1.00 0.47 H new ATOM 0 HG21 THR A 93 -4.595 -3.827 -1.063 1.00 0.36 H new ATOM 0 HG22 THR A 93 -5.639 -2.538 -1.709 1.00 0.36 H new ATOM 0 HG23 THR A 93 -6.304 -4.165 -1.429 1.00 0.36 H new ATOM 1405 N ASP A 94 -5.513 -1.507 -4.905 1.00 0.33 N ATOM 1406 CA ASP A 94 -5.592 -0.054 -5.016 1.00 0.39 C ATOM 1407 C ASP A 94 -6.774 0.372 -5.879 1.00 0.43 C ATOM 1408 O ASP A 94 -7.429 1.372 -5.591 1.00 0.50 O ATOM 1409 CB ASP A 94 -4.291 0.504 -5.587 1.00 0.48 C ATOM 1410 CG ASP A 94 -4.270 2.016 -5.610 1.00 0.71 C ATOM 1411 OD1 ASP A 94 -4.288 2.634 -4.528 1.00 0.77 O ATOM 1412 OD2 ASP A 94 -4.197 2.594 -6.712 1.00 1.18 O ATOM 0 H ASP A 94 -4.716 -1.923 -5.387 1.00 0.33 H new ATOM 0 HA ASP A 94 -5.744 0.352 -4.016 1.00 0.39 H new ATOM 0 HB2 ASP A 94 -3.452 0.141 -4.993 1.00 0.48 H new ATOM 0 HB3 ASP A 94 -4.151 0.126 -6.600 1.00 0.48 H new ATOM 1417 N GLU A 95 -7.054 -0.387 -6.936 1.00 0.43 N ATOM 1418 CA GLU A 95 -8.219 -0.118 -7.773 1.00 0.49 C ATOM 1419 C GLU A 95 -9.499 -0.295 -6.959 1.00 0.45 C ATOM 1420 O GLU A 95 -10.473 0.440 -7.135 1.00 0.50 O ATOM 1421 CB GLU A 95 -8.248 -1.039 -8.998 1.00 0.60 C ATOM 1422 CG GLU A 95 -7.061 -0.873 -9.935 1.00 0.72 C ATOM 1423 CD GLU A 95 -6.846 0.558 -10.383 1.00 1.17 C ATOM 1424 OE1 GLU A 95 -7.609 1.041 -11.244 1.00 1.23 O ATOM 1425 OE2 GLU A 95 -5.899 1.204 -9.890 1.00 1.94 O ATOM 0 H GLU A 95 -6.494 -1.187 -7.231 1.00 0.43 H new ATOM 0 HA GLU A 95 -8.152 0.912 -8.124 1.00 0.49 H new ATOM 0 HB2 GLU A 95 -8.286 -2.074 -8.659 1.00 0.60 H new ATOM 0 HB3 GLU A 95 -9.165 -0.853 -9.556 1.00 0.60 H new ATOM 0 HG2 GLU A 95 -6.160 -1.229 -9.435 1.00 0.72 H new ATOM 0 HG3 GLU A 95 -7.209 -1.503 -10.812 1.00 0.72 H new ATOM 1432 N PHE A 96 -9.481 -1.275 -6.060 1.00 0.41 N ATOM 1433 CA PHE A 96 -10.591 -1.509 -5.146 1.00 0.41 C ATOM 1434 C PHE A 96 -10.775 -0.308 -4.221 1.00 0.36 C ATOM 1435 O PHE A 96 -11.892 0.178 -4.028 1.00 0.40 O ATOM 1436 CB PHE A 96 -10.336 -2.784 -4.331 1.00 0.44 C ATOM 1437 CG PHE A 96 -11.347 -3.038 -3.247 1.00 0.51 C ATOM 1438 CD1 PHE A 96 -12.580 -3.589 -3.545 1.00 0.63 C ATOM 1439 CD2 PHE A 96 -11.056 -2.730 -1.928 1.00 0.52 C ATOM 1440 CE1 PHE A 96 -13.509 -3.827 -2.549 1.00 0.73 C ATOM 1441 CE2 PHE A 96 -11.979 -2.965 -0.927 1.00 0.62 C ATOM 1442 CZ PHE A 96 -13.207 -3.514 -1.238 1.00 0.72 C ATOM 0 H PHE A 96 -8.702 -1.924 -5.946 1.00 0.41 H new ATOM 0 HA PHE A 96 -11.506 -1.641 -5.723 1.00 0.41 H new ATOM 0 HB2 PHE A 96 -10.325 -3.638 -5.008 1.00 0.44 H new ATOM 0 HB3 PHE A 96 -9.345 -2.721 -3.880 1.00 0.44 H new ATOM 0 HD1 PHE A 96 -12.820 -3.836 -4.568 1.00 0.63 H new ATOM 0 HD2 PHE A 96 -10.096 -2.301 -1.679 1.00 0.52 H new ATOM 0 HE1 PHE A 96 -14.469 -4.257 -2.796 1.00 0.73 H new ATOM 0 HE2 PHE A 96 -11.740 -2.720 0.097 1.00 0.62 H new ATOM 0 HZ PHE A 96 -13.930 -3.698 -0.457 1.00 0.72 H new ATOM 1452 N PHE A 97 -9.672 0.168 -3.659 1.00 0.32 N ATOM 1453 CA PHE A 97 -9.707 1.338 -2.792 1.00 0.32 C ATOM 1454 C PHE A 97 -10.142 2.590 -3.560 1.00 0.39 C ATOM 1455 O PHE A 97 -10.891 3.413 -3.028 1.00 0.44 O ATOM 1456 CB PHE A 97 -8.348 1.563 -2.119 1.00 0.30 C ATOM 1457 CG PHE A 97 -8.107 0.671 -0.931 1.00 0.29 C ATOM 1458 CD1 PHE A 97 -8.880 0.799 0.210 1.00 0.38 C ATOM 1459 CD2 PHE A 97 -7.108 -0.290 -0.949 1.00 0.37 C ATOM 1460 CE1 PHE A 97 -8.666 -0.010 1.310 1.00 0.41 C ATOM 1461 CE2 PHE A 97 -6.889 -1.103 0.150 1.00 0.40 C ATOM 1462 CZ PHE A 97 -7.670 -0.963 1.281 1.00 0.35 C ATOM 0 H PHE A 97 -8.745 -0.237 -3.787 1.00 0.32 H new ATOM 0 HA PHE A 97 -10.447 1.148 -2.015 1.00 0.32 H new ATOM 0 HB2 PHE A 97 -7.558 1.399 -2.852 1.00 0.30 H new ATOM 0 HB3 PHE A 97 -8.277 2.603 -1.802 1.00 0.30 H new ATOM 0 HD1 PHE A 97 -9.663 1.543 0.241 1.00 0.38 H new ATOM 0 HD2 PHE A 97 -6.494 -0.406 -1.830 1.00 0.37 H new ATOM 0 HE1 PHE A 97 -9.279 0.104 2.192 1.00 0.41 H new ATOM 0 HE2 PHE A 97 -6.107 -1.847 0.123 1.00 0.40 H new ATOM 0 HZ PHE A 97 -7.501 -1.597 2.139 1.00 0.35 H new ATOM 1472 N LYS A 98 -9.687 2.724 -4.809 1.00 0.43 N ATOM 1473 CA LYS A 98 -10.073 3.862 -5.647 1.00 0.53 C ATOM 1474 C LYS A 98 -11.585 3.930 -5.833 1.00 0.56 C ATOM 1475 O LYS A 98 -12.204 4.972 -5.614 1.00 0.61 O ATOM 1476 CB LYS A 98 -9.440 3.780 -7.043 1.00 0.63 C ATOM 1477 CG LYS A 98 -7.969 4.159 -7.128 1.00 0.85 C ATOM 1478 CD LYS A 98 -7.605 4.500 -8.569 1.00 1.13 C ATOM 1479 CE LYS A 98 -6.122 4.778 -8.758 1.00 1.31 C ATOM 1480 NZ LYS A 98 -5.318 3.532 -8.813 1.00 1.92 N ATOM 0 H LYS A 98 -9.055 2.063 -5.260 1.00 0.43 H new ATOM 0 HA LYS A 98 -9.716 4.751 -5.127 1.00 0.53 H new ATOM 0 HB2 LYS A 98 -9.555 2.761 -7.414 1.00 0.63 H new ATOM 0 HB3 LYS A 98 -10.002 4.429 -7.714 1.00 0.63 H new ATOM 0 HG2 LYS A 98 -7.766 5.012 -6.481 1.00 0.85 H new ATOM 0 HG3 LYS A 98 -7.351 3.335 -6.773 1.00 0.85 H new ATOM 0 HD2 LYS A 98 -7.900 3.675 -9.217 1.00 1.13 H new ATOM 0 HD3 LYS A 98 -8.176 5.373 -8.885 1.00 1.13 H new ATOM 0 HE2 LYS A 98 -5.975 5.344 -9.678 1.00 1.31 H new ATOM 0 HE3 LYS A 98 -5.764 5.403 -7.939 1.00 1.31 H new ATOM 0 HZ1 LYS A 98 -4.549 3.645 -9.505 1.00 1.92 H new ATOM 0 HZ2 LYS A 98 -4.914 3.338 -7.875 1.00 1.92 H new ATOM 0 HZ3 LYS A 98 -5.927 2.738 -9.098 1.00 1.92 H new ATOM 1494 N LYS A 99 -12.177 2.806 -6.214 1.00 0.55 N ATOM 1495 CA LYS A 99 -13.587 2.771 -6.585 1.00 0.63 C ATOM 1496 C LYS A 99 -14.492 2.943 -5.372 1.00 0.63 C ATOM 1497 O LYS A 99 -15.662 3.295 -5.509 1.00 0.75 O ATOM 1498 CB LYS A 99 -13.908 1.469 -7.334 1.00 0.66 C ATOM 1499 CG LYS A 99 -13.697 0.201 -6.522 1.00 0.60 C ATOM 1500 CD LYS A 99 -14.999 -0.298 -5.910 1.00 0.76 C ATOM 1501 CE LYS A 99 -14.854 -1.713 -5.371 1.00 1.62 C ATOM 1502 NZ LYS A 99 -14.595 -2.698 -6.455 1.00 2.04 N ATOM 0 H LYS A 99 -11.703 1.905 -6.275 1.00 0.55 H new ATOM 0 HA LYS A 99 -13.781 3.612 -7.251 1.00 0.63 H new ATOM 0 HB2 LYS A 99 -14.946 1.503 -7.666 1.00 0.66 H new ATOM 0 HB3 LYS A 99 -13.288 1.418 -8.229 1.00 0.66 H new ATOM 0 HG2 LYS A 99 -13.274 -0.574 -7.161 1.00 0.60 H new ATOM 0 HG3 LYS A 99 -12.972 0.392 -5.731 1.00 0.60 H new ATOM 0 HD2 LYS A 99 -15.303 0.370 -5.104 1.00 0.76 H new ATOM 0 HD3 LYS A 99 -15.789 -0.272 -6.661 1.00 0.76 H new ATOM 0 HE2 LYS A 99 -14.037 -1.744 -4.650 1.00 1.62 H new ATOM 0 HE3 LYS A 99 -15.762 -1.992 -4.837 1.00 1.62 H new ATOM 0 HZ1 LYS A 99 -14.835 -3.653 -6.121 1.00 2.04 H new ATOM 0 HZ2 LYS A 99 -15.179 -2.464 -7.283 1.00 2.04 H new ATOM 0 HZ3 LYS A 99 -13.590 -2.666 -6.720 1.00 2.04 H new ATOM 1516 N CYS A 100 -13.951 2.707 -4.188 1.00 0.55 N ATOM 1517 CA CYS A 100 -14.738 2.826 -2.972 1.00 0.60 C ATOM 1518 C CYS A 100 -14.409 4.124 -2.238 1.00 0.61 C ATOM 1519 O CYS A 100 -15.016 4.444 -1.213 1.00 0.68 O ATOM 1520 CB CYS A 100 -14.494 1.618 -2.061 1.00 0.60 C ATOM 1521 SG CYS A 100 -15.693 1.448 -0.716 1.00 1.39 S ATOM 0 H CYS A 100 -12.979 2.434 -4.043 1.00 0.55 H new ATOM 0 HA CYS A 100 -15.793 2.849 -3.246 1.00 0.60 H new ATOM 0 HB2 CYS A 100 -14.513 0.711 -2.666 1.00 0.60 H new ATOM 0 HB3 CYS A 100 -13.494 1.696 -1.634 1.00 0.60 H new ATOM 0 HG CYS A 100 -16.017 2.626 -0.272 1.00 1.39 H new ATOM 1527 N ARG A 101 -13.450 4.874 -2.792 1.00 0.59 N ATOM 1528 CA ARG A 101 -12.972 6.125 -2.197 1.00 0.65 C ATOM 1529 C ARG A 101 -12.453 5.891 -0.783 1.00 0.64 C ATOM 1530 O ARG A 101 -12.752 6.650 0.141 1.00 0.75 O ATOM 1531 CB ARG A 101 -14.067 7.204 -2.188 1.00 0.77 C ATOM 1532 CG ARG A 101 -14.339 7.832 -3.549 1.00 0.79 C ATOM 1533 CD ARG A 101 -15.068 6.884 -4.491 1.00 1.19 C ATOM 1534 NE ARG A 101 -16.440 6.611 -4.057 1.00 2.14 N ATOM 1535 CZ ARG A 101 -17.431 6.291 -4.890 1.00 3.08 C ATOM 1536 NH1 ARG A 101 -17.198 6.199 -6.194 1.00 3.37 N ATOM 1537 NH2 ARG A 101 -18.654 6.073 -4.422 1.00 4.09 N ATOM 0 H ARG A 101 -12.984 4.630 -3.666 1.00 0.59 H new ATOM 0 HA ARG A 101 -12.151 6.484 -2.817 1.00 0.65 H new ATOM 0 HB2 ARG A 101 -14.991 6.764 -1.813 1.00 0.77 H new ATOM 0 HB3 ARG A 101 -13.781 7.990 -1.489 1.00 0.77 H new ATOM 0 HG2 ARG A 101 -14.933 8.736 -3.417 1.00 0.79 H new ATOM 0 HG3 ARG A 101 -13.395 8.135 -4.002 1.00 0.79 H new ATOM 0 HD2 ARG A 101 -15.085 7.314 -5.493 1.00 1.19 H new ATOM 0 HD3 ARG A 101 -14.517 5.946 -4.556 1.00 1.19 H new ATOM 0 HE ARG A 101 -16.649 6.669 -3.060 1.00 2.14 H new ATOM 0 HH11 ARG A 101 -16.261 6.373 -6.558 1.00 3.37 H new ATOM 0 HH12 ARG A 101 -17.956 5.954 -6.831 1.00 3.37 H new ATOM 0 HH21 ARG A 101 -18.839 6.150 -3.422 1.00 4.09 H new ATOM 0 HH22 ARG A 101 -19.409 5.828 -5.063 1.00 4.09 H new ATOM 1551 N VAL A 102 -11.665 4.836 -0.628 1.00 0.55 N ATOM 1552 CA VAL A 102 -11.143 4.447 0.672 1.00 0.57 C ATOM 1553 C VAL A 102 -9.620 4.508 0.681 1.00 0.49 C ATOM 1554 O VAL A 102 -8.970 4.041 -0.250 1.00 0.46 O ATOM 1555 CB VAL A 102 -11.604 3.022 1.051 1.00 0.69 C ATOM 1556 CG1 VAL A 102 -11.001 2.583 2.373 1.00 0.89 C ATOM 1557 CG2 VAL A 102 -13.118 2.946 1.112 1.00 1.42 C ATOM 0 H VAL A 102 -11.372 4.230 -1.395 1.00 0.55 H new ATOM 0 HA VAL A 102 -11.534 5.150 1.407 1.00 0.57 H new ATOM 0 HB VAL A 102 -11.252 2.342 0.275 1.00 0.69 H new ATOM 0 HG11 VAL A 102 -11.344 1.577 2.613 1.00 0.89 H new ATOM 0 HG12 VAL A 102 -9.914 2.587 2.296 1.00 0.89 H new ATOM 0 HG13 VAL A 102 -11.312 3.269 3.161 1.00 0.89 H new ATOM 0 HG21 VAL A 102 -13.421 1.934 1.380 1.00 1.42 H new ATOM 0 HG22 VAL A 102 -13.488 3.646 1.861 1.00 1.42 H new ATOM 0 HG23 VAL A 102 -13.535 3.203 0.138 1.00 1.42 H new ATOM 1567 N ILE A 103 -9.061 5.095 1.728 1.00 0.54 N ATOM 1568 CA ILE A 103 -7.616 5.169 1.883 1.00 0.50 C ATOM 1569 C ILE A 103 -7.118 3.987 2.711 1.00 0.43 C ATOM 1570 O ILE A 103 -7.537 3.799 3.856 1.00 0.46 O ATOM 1571 CB ILE A 103 -7.187 6.495 2.556 1.00 0.61 C ATOM 1572 CG1 ILE A 103 -7.638 7.693 1.709 1.00 0.78 C ATOM 1573 CG2 ILE A 103 -5.680 6.531 2.774 1.00 0.62 C ATOM 1574 CD1 ILE A 103 -7.074 7.696 0.303 1.00 1.33 C ATOM 0 H ILE A 103 -9.588 5.529 2.486 1.00 0.54 H new ATOM 0 HA ILE A 103 -7.171 5.133 0.889 1.00 0.50 H new ATOM 0 HB ILE A 103 -7.671 6.556 3.531 1.00 0.61 H new ATOM 0 HG12 ILE A 103 -8.727 7.697 1.654 1.00 0.78 H new ATOM 0 HG13 ILE A 103 -7.341 8.613 2.211 1.00 0.78 H new ATOM 0 HG21 ILE A 103 -5.403 7.473 3.248 1.00 0.62 H new ATOM 0 HG22 ILE A 103 -5.385 5.701 3.416 1.00 0.62 H new ATOM 0 HG23 ILE A 103 -5.171 6.445 1.814 1.00 0.62 H new ATOM 0 HD11 ILE A 103 -7.438 8.573 -0.233 1.00 1.33 H new ATOM 0 HD12 ILE A 103 -5.985 7.724 0.348 1.00 1.33 H new ATOM 0 HD13 ILE A 103 -7.393 6.794 -0.219 1.00 1.33 H new ATOM 1586 N PRO A 104 -6.238 3.160 2.133 1.00 0.39 N ATOM 1587 CA PRO A 104 -5.672 2.000 2.825 1.00 0.37 C ATOM 1588 C PRO A 104 -4.815 2.403 4.019 1.00 0.37 C ATOM 1589 O PRO A 104 -4.100 3.403 3.967 1.00 0.45 O ATOM 1590 CB PRO A 104 -4.809 1.323 1.756 1.00 0.41 C ATOM 1591 CG PRO A 104 -4.518 2.393 0.760 1.00 0.53 C ATOM 1592 CD PRO A 104 -5.721 3.292 0.759 1.00 0.44 C ATOM 0 HA PRO A 104 -6.450 1.354 3.232 1.00 0.37 H new ATOM 0 HB2 PRO A 104 -3.890 0.923 2.185 1.00 0.41 H new ATOM 0 HB3 PRO A 104 -5.335 0.487 1.295 1.00 0.41 H new ATOM 0 HG2 PRO A 104 -3.618 2.945 1.031 1.00 0.53 H new ATOM 0 HG3 PRO A 104 -4.346 1.969 -0.229 1.00 0.53 H new ATOM 0 HD2 PRO A 104 -5.454 4.323 0.526 1.00 0.44 H new ATOM 0 HD3 PRO A 104 -6.458 2.979 0.019 1.00 0.44 H new ATOM 1600 N SER A 105 -4.891 1.625 5.089 1.00 0.32 N ATOM 1601 CA SER A 105 -4.105 1.891 6.277 1.00 0.34 C ATOM 1602 C SER A 105 -3.866 0.585 7.029 1.00 0.34 C ATOM 1603 O SER A 105 -4.307 -0.478 6.576 1.00 0.33 O ATOM 1604 CB SER A 105 -4.810 2.920 7.174 1.00 0.43 C ATOM 1605 OG SER A 105 -3.947 3.419 8.184 1.00 1.42 O ATOM 0 H SER A 105 -5.492 0.803 5.155 1.00 0.32 H new ATOM 0 HA SER A 105 -3.143 2.312 5.984 1.00 0.34 H new ATOM 0 HB2 SER A 105 -5.171 3.747 6.563 1.00 0.43 H new ATOM 0 HB3 SER A 105 -5.683 2.461 7.637 1.00 0.43 H new ATOM 0 HG SER A 105 -3.086 3.665 7.786 1.00 1.42 H new ATOM 1611 N GLN A 106 -3.172 0.659 8.152 1.00 0.39 N ATOM 1612 CA GLN A 106 -2.848 -0.522 8.948 1.00 0.43 C ATOM 1613 C GLN A 106 -4.100 -1.296 9.383 1.00 0.45 C ATOM 1614 O GLN A 106 -4.067 -2.516 9.519 1.00 0.50 O ATOM 1615 CB GLN A 106 -2.048 -0.109 10.179 1.00 0.52 C ATOM 1616 CG GLN A 106 -0.850 0.768 9.854 1.00 0.68 C ATOM 1617 CD GLN A 106 -0.136 1.273 11.092 1.00 0.96 C ATOM 1618 OE1 GLN A 106 -0.076 0.592 12.115 1.00 1.66 O ATOM 1619 NE2 GLN A 106 0.398 2.483 11.011 1.00 1.42 N ATOM 0 H GLN A 106 -2.817 1.533 8.540 1.00 0.39 H new ATOM 0 HA GLN A 106 -2.256 -1.186 8.318 1.00 0.43 H new ATOM 0 HB2 GLN A 106 -2.704 0.425 10.867 1.00 0.52 H new ATOM 0 HB3 GLN A 106 -1.704 -1.004 10.697 1.00 0.52 H new ATOM 0 HG2 GLN A 106 -0.148 0.203 9.241 1.00 0.68 H new ATOM 0 HG3 GLN A 106 -1.180 1.619 9.258 1.00 0.68 H new ATOM 0 HE21 GLN A 106 0.326 3.015 10.144 1.00 1.42 H new ATOM 0 HE22 GLN A 106 0.881 2.882 11.816 1.00 1.42 H new ATOM 1628 N GLU A 107 -5.205 -0.593 9.583 1.00 0.46 N ATOM 1629 CA GLU A 107 -6.431 -1.231 10.060 1.00 0.51 C ATOM 1630 C GLU A 107 -7.043 -2.149 8.995 1.00 0.42 C ATOM 1631 O GLU A 107 -7.706 -3.136 9.315 1.00 0.49 O ATOM 1632 CB GLU A 107 -7.439 -0.184 10.558 1.00 0.59 C ATOM 1633 CG GLU A 107 -7.377 1.156 9.834 1.00 1.41 C ATOM 1634 CD GLU A 107 -7.827 1.073 8.395 1.00 2.16 C ATOM 1635 OE1 GLU A 107 -9.043 1.195 8.146 1.00 2.63 O ATOM 1636 OE2 GLU A 107 -6.966 0.880 7.512 1.00 2.82 O ATOM 0 H GLU A 107 -5.282 0.412 9.425 1.00 0.46 H new ATOM 0 HA GLU A 107 -6.167 -1.863 10.908 1.00 0.51 H new ATOM 0 HB2 GLU A 107 -8.445 -0.591 10.455 1.00 0.59 H new ATOM 0 HB3 GLU A 107 -7.271 -0.015 11.622 1.00 0.59 H new ATOM 0 HG2 GLU A 107 -8.001 1.877 10.362 1.00 1.41 H new ATOM 0 HG3 GLU A 107 -6.355 1.534 9.868 1.00 1.41 H new ATOM 1643 N HIS A 108 -6.811 -1.823 7.730 1.00 0.34 N ATOM 1644 CA HIS A 108 -7.324 -2.618 6.626 1.00 0.37 C ATOM 1645 C HIS A 108 -6.496 -3.883 6.418 1.00 0.46 C ATOM 1646 O HIS A 108 -6.920 -4.788 5.707 1.00 0.53 O ATOM 1647 CB HIS A 108 -7.369 -1.793 5.336 1.00 0.38 C ATOM 1648 CG HIS A 108 -8.472 -0.775 5.313 1.00 0.40 C ATOM 1649 ND1 HIS A 108 -8.254 0.571 5.122 1.00 0.52 N ATOM 1650 CD2 HIS A 108 -9.812 -0.919 5.446 1.00 0.52 C ATOM 1651 CE1 HIS A 108 -9.407 1.208 5.138 1.00 0.52 C ATOM 1652 NE2 HIS A 108 -10.373 0.330 5.333 1.00 0.52 N ATOM 0 H HIS A 108 -6.268 -1.009 7.444 1.00 0.34 H new ATOM 0 HA HIS A 108 -8.340 -2.919 6.883 1.00 0.37 H new ATOM 0 HB2 HIS A 108 -6.414 -1.285 5.206 1.00 0.38 H new ATOM 0 HB3 HIS A 108 -7.490 -2.467 4.488 1.00 0.38 H new ATOM 0 HD2 HIS A 108 -10.342 -1.845 5.611 1.00 0.52 H new ATOM 0 HE1 HIS A 108 -9.540 2.272 5.012 1.00 0.52 H new ATOM 0 HE2 HIS A 108 -11.369 0.543 5.390 1.00 0.52 H new ATOM 1661 N LEU A 109 -5.307 -3.928 7.027 1.00 0.52 N ATOM 1662 CA LEU A 109 -4.418 -5.089 6.909 1.00 0.70 C ATOM 1663 C LEU A 109 -5.129 -6.388 7.282 1.00 0.79 C ATOM 1664 O LEU A 109 -5.201 -7.320 6.481 1.00 1.24 O ATOM 1665 CB LEU A 109 -3.191 -4.914 7.805 1.00 0.96 C ATOM 1666 CG LEU A 109 -2.263 -3.763 7.426 1.00 0.44 C ATOM 1667 CD1 LEU A 109 -1.157 -3.612 8.460 1.00 0.84 C ATOM 1668 CD2 LEU A 109 -1.673 -3.997 6.052 1.00 0.67 C ATOM 0 H LEU A 109 -4.938 -3.174 7.607 1.00 0.52 H new ATOM 0 HA LEU A 109 -4.109 -5.152 5.866 1.00 0.70 H new ATOM 0 HB2 LEU A 109 -3.529 -4.763 8.830 1.00 0.96 H new ATOM 0 HB3 LEU A 109 -2.617 -5.841 7.792 1.00 0.96 H new ATOM 0 HG LEU A 109 -2.843 -2.840 7.403 1.00 0.44 H new ATOM 0 HD11 LEU A 109 -0.503 -2.787 8.176 1.00 0.84 H new ATOM 0 HD12 LEU A 109 -1.597 -3.407 9.436 1.00 0.84 H new ATOM 0 HD13 LEU A 109 -0.577 -4.534 8.510 1.00 0.84 H new ATOM 0 HD21 LEU A 109 -1.013 -3.169 5.794 1.00 0.67 H new ATOM 0 HD22 LEU A 109 -1.105 -4.927 6.054 1.00 0.67 H new ATOM 0 HD23 LEU A 109 -2.476 -4.064 5.318 1.00 0.67 H new ATOM 1680 N ASN A 110 -5.642 -6.450 8.504 1.00 1.37 N ATOM 1681 CA ASN A 110 -6.334 -7.644 8.981 1.00 1.67 C ATOM 1682 C ASN A 110 -7.835 -7.391 9.074 1.00 1.44 C ATOM 1683 O ASN A 110 -8.578 -8.162 9.689 1.00 1.77 O ATOM 1684 CB ASN A 110 -5.775 -8.085 10.343 1.00 2.17 C ATOM 1685 CG ASN A 110 -6.056 -7.089 11.454 1.00 2.95 C ATOM 1686 OD1 ASN A 110 -5.307 -6.133 11.655 1.00 3.70 O ATOM 1687 ND2 ASN A 110 -7.111 -7.331 12.214 1.00 3.35 N ATOM 0 H ASN A 110 -5.593 -5.690 9.183 1.00 1.37 H new ATOM 0 HA ASN A 110 -6.165 -8.448 8.265 1.00 1.67 H new ATOM 0 HB2 ASN A 110 -6.206 -9.050 10.611 1.00 2.17 H new ATOM 0 HB3 ASN A 110 -4.698 -8.230 10.257 1.00 2.17 H new ATOM 0 HD21 ASN A 110 -7.327 -6.715 12.998 1.00 3.35 H new ATOM 0 HD22 ASN A 110 -7.709 -8.133 12.016 1.00 3.35 H new ATOM 1694 N GLY A 111 -8.278 -6.310 8.448 1.00 1.12 N ATOM 1695 CA GLY A 111 -9.685 -5.962 8.462 1.00 1.12 C ATOM 1696 C GLY A 111 -10.420 -6.533 7.266 1.00 0.87 C ATOM 1697 O GLY A 111 -9.814 -6.754 6.218 1.00 0.93 O ATOM 0 H GLY A 111 -7.684 -5.664 7.928 1.00 1.12 H new ATOM 0 HA2 GLY A 111 -10.142 -6.333 9.380 1.00 1.12 H new ATOM 0 HA3 GLY A 111 -9.791 -4.877 8.469 1.00 1.12 H new ATOM 1701 N PRO A 112 -11.736 -6.772 7.388 1.00 0.86 N ATOM 1702 CA PRO A 112 -12.555 -7.360 6.318 1.00 0.93 C ATOM 1703 C PRO A 112 -12.901 -6.365 5.213 1.00 0.89 C ATOM 1704 O PRO A 112 -13.947 -6.479 4.564 1.00 1.31 O ATOM 1705 CB PRO A 112 -13.835 -7.801 7.040 1.00 1.25 C ATOM 1706 CG PRO A 112 -13.595 -7.566 8.496 1.00 1.30 C ATOM 1707 CD PRO A 112 -12.537 -6.507 8.582 1.00 1.10 C ATOM 0 HA PRO A 112 -12.022 -8.168 5.816 1.00 0.93 H new ATOM 0 HB2 PRO A 112 -14.695 -7.230 6.690 1.00 1.25 H new ATOM 0 HB3 PRO A 112 -14.049 -8.852 6.846 1.00 1.25 H new ATOM 0 HG2 PRO A 112 -14.509 -7.243 8.994 1.00 1.30 H new ATOM 0 HG3 PRO A 112 -13.270 -8.482 8.989 1.00 1.30 H new ATOM 0 HD2 PRO A 112 -12.963 -5.504 8.572 1.00 1.10 H new ATOM 0 HD3 PRO A 112 -11.948 -6.594 9.495 1.00 1.10 H new ATOM 1715 N LEU A 113 -11.998 -5.416 5.001 1.00 0.62 N ATOM 1716 CA LEU A 113 -12.151 -4.357 4.011 1.00 0.58 C ATOM 1717 C LEU A 113 -13.399 -3.487 4.243 1.00 0.69 C ATOM 1718 O LEU A 113 -14.282 -3.836 5.029 1.00 0.90 O ATOM 1719 CB LEU A 113 -12.147 -4.974 2.618 1.00 0.58 C ATOM 1720 CG LEU A 113 -10.829 -5.641 2.238 1.00 0.57 C ATOM 1721 CD1 LEU A 113 -10.892 -6.151 0.819 1.00 1.11 C ATOM 1722 CD2 LEU A 113 -9.667 -4.670 2.423 1.00 1.05 C ATOM 0 H LEU A 113 -11.123 -5.360 5.522 1.00 0.62 H new ATOM 0 HA LEU A 113 -11.306 -3.677 4.112 1.00 0.58 H new ATOM 0 HB2 LEU A 113 -12.947 -5.712 2.557 1.00 0.58 H new ATOM 0 HB3 LEU A 113 -12.373 -4.197 1.887 1.00 0.58 H new ATOM 0 HG LEU A 113 -10.662 -6.493 2.898 1.00 0.57 H new ATOM 0 HD11 LEU A 113 -9.945 -6.625 0.560 1.00 1.11 H new ATOM 0 HD12 LEU A 113 -11.698 -6.879 0.729 1.00 1.11 H new ATOM 0 HD13 LEU A 113 -11.078 -5.318 0.141 1.00 1.11 H new ATOM 0 HD21 LEU A 113 -8.734 -5.162 2.147 1.00 1.05 H new ATOM 0 HD22 LEU A 113 -9.818 -3.797 1.788 1.00 1.05 H new ATOM 0 HD23 LEU A 113 -9.617 -4.356 3.466 1.00 1.05 H new