USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 713 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 91 ASN : amide:sc= -0.0626 K(o=0.14,f=-6.3!) USER MOD Set 1.2: A 99 SER OG : rot 160:sc= 0.207 USER MOD Set 2.1: A 35 CYS SG : rot 91:sc= 0.995 USER MOD Set 2.2: A 36 SER OG : rot 80:sc= 1.21 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -0.0148 X(o=-0.015,f=-0.38) USER MOD Single : A 19 THR OG1 : rot -63:sc= 1.14 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0.715 USER MOD Single : A 34 MET CE :methyl -173:sc= -0.133 (180deg=-0.367) USER MOD Single : A 37 THR OG1 : rot 59:sc= 0.247 USER MOD Single : A 38 TYR OH : rot 180:sc= -0.0201 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot -137:sc= 1.14 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0215) USER MOD Single : A 63 CYS SG : rot -71:sc= -2.93! USER MOD Single : A 69 LYS NZ :NH3+ -160:sc= 0.593 (180deg=0.4) USER MOD Single : A 71 LYS NZ :NH3+ -146:sc=-0.00449 (180deg=-1.3!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 79 ASN : amide:sc= -0.11 K(o=-0.11,f=-2!) USER MOD Single : A 80 GLN : amide:sc= -0.0761 K(o=-0.076,f=-1) USER MOD Single : A 82 MET CE :methyl -178:sc= -2.32 (180deg=-2.37) USER MOD Single : A 83 HIS : no HD1:sc= -0.167 X(o=-0.17,f=-0.066) USER MOD Single : A 86 THR OG1 : rot 88:sc= 1.26 USER MOD Single : A 88 ASN : amide:sc= -0.0251 X(o=-0.025,f=-0.058) USER MOD Single : A 89 GLN : amide:sc= -0.317 K(o=-0.32,f=-2.1!) USER MOD Single : A 98 ASN : amide:sc= -0.03 X(o=-0.03,f=-0.034) USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 THR OG1 : rot -97:sc= 0.0054 USER MOD ----------------------------------------------------------------- ATOM 115 N ILE A 10 -7.370 5.213 9.310 1.00 45.45 N ATOM 116 CA ILE A 10 -5.965 4.933 9.070 1.00 61.41 C ATOM 117 C ILE A 10 -5.440 5.891 7.995 1.00 33.01 C ATOM 118 O ILE A 10 -6.172 6.288 7.085 1.00 5.41 O ATOM 119 CB ILE A 10 -5.834 3.435 8.704 1.00 4.44 C ATOM 120 CG1 ILE A 10 -6.226 2.601 9.946 1.00 65.13 C ATOM 121 CG2 ILE A 10 -4.406 3.124 8.246 1.00 12.05 C ATOM 122 CD1 ILE A 10 -6.145 1.079 9.801 1.00 33.01 C ATOM 0 HA ILE A 10 -5.348 5.104 9.952 1.00 61.41 H new ATOM 0 HB ILE A 10 -6.498 3.183 7.877 1.00 4.44 H new ATOM 0 HG12 ILE A 10 -5.583 2.899 10.774 1.00 65.13 H new ATOM 0 HG13 ILE A 10 -7.247 2.863 10.225 1.00 65.13 H new ATOM 0 HG21 ILE A 10 -4.328 2.067 7.992 1.00 12.05 H new ATOM 0 HG22 ILE A 10 -4.165 3.727 7.370 1.00 12.05 H new ATOM 0 HG23 ILE A 10 -3.707 3.357 9.050 1.00 12.05 H new ATOM 0 HD11 ILE A 10 -6.444 0.608 10.737 1.00 33.01 H new ATOM 0 HD12 ILE A 10 -6.811 0.754 9.002 1.00 33.01 H new ATOM 0 HD13 ILE A 10 -5.122 0.790 9.560 1.00 33.01 H new ATOM 134 N LYS A 11 -4.168 6.288 8.124 1.00 45.33 N ATOM 135 CA LYS A 11 -3.444 7.218 7.270 1.00 64.24 C ATOM 136 C LYS A 11 -2.196 6.604 6.612 1.00 21.53 C ATOM 137 O LYS A 11 -1.335 7.328 6.125 1.00 3.22 O ATOM 138 CB LYS A 11 -3.122 8.464 8.105 1.00 13.54 C ATOM 139 CG LYS A 11 -4.278 9.463 8.096 1.00 74.04 C ATOM 140 CD LYS A 11 -5.451 9.250 9.056 1.00 43.04 C ATOM 141 CE LYS A 11 -5.038 9.728 10.439 1.00 42.43 C ATOM 142 NZ LYS A 11 -5.987 9.322 11.491 1.00 53.20 N ATOM 0 H LYS A 11 -3.583 5.939 8.883 1.00 45.33 H new ATOM 0 HA LYS A 11 -4.074 7.490 6.423 1.00 64.24 H new ATOM 0 HB2 LYS A 11 -2.904 8.168 9.131 1.00 13.54 H new ATOM 0 HB3 LYS A 11 -2.224 8.942 7.714 1.00 13.54 H new ATOM 0 HG2 LYS A 11 -3.862 10.450 8.299 1.00 74.04 H new ATOM 0 HG3 LYS A 11 -4.682 9.490 7.084 1.00 74.04 H new ATOM 0 HD2 LYS A 11 -6.327 9.800 8.711 1.00 43.04 H new ATOM 0 HD3 LYS A 11 -5.728 8.196 9.087 1.00 43.04 H new ATOM 0 HE2 LYS A 11 -4.050 9.332 10.675 1.00 42.43 H new ATOM 0 HE3 LYS A 11 -4.953 10.815 10.432 1.00 42.43 H new ATOM 0 HZ1 LYS A 11 -5.656 9.674 12.412 1.00 53.20 H new ATOM 0 HZ2 LYS A 11 -6.925 9.720 11.285 1.00 53.20 H new ATOM 0 HZ3 LYS A 11 -6.050 8.284 11.520 1.00 53.20 H new ATOM 156 N GLU A 12 -2.098 5.281 6.545 1.00 63.13 N ATOM 157 CA GLU A 12 -1.021 4.583 5.822 1.00 41.10 C ATOM 158 C GLU A 12 -1.435 3.134 5.514 1.00 3.45 C ATOM 159 O GLU A 12 -1.876 2.451 6.431 1.00 41.34 O ATOM 160 CB GLU A 12 0.263 4.625 6.683 1.00 41.11 C ATOM 161 CG GLU A 12 1.490 3.983 6.012 1.00 21.50 C ATOM 162 CD GLU A 12 2.813 4.321 6.715 1.00 10.31 C ATOM 163 OE1 GLU A 12 3.060 5.507 7.028 1.00 64.13 O ATOM 164 OE2 GLU A 12 3.647 3.408 6.915 1.00 42.43 O ATOM 0 H GLU A 12 -2.764 4.651 6.991 1.00 63.13 H new ATOM 0 HA GLU A 12 -0.830 5.078 4.870 1.00 41.10 H new ATOM 0 HB2 GLU A 12 0.494 5.663 6.921 1.00 41.11 H new ATOM 0 HB3 GLU A 12 0.071 4.116 7.628 1.00 41.11 H new ATOM 0 HG2 GLU A 12 1.362 2.901 5.995 1.00 21.50 H new ATOM 0 HG3 GLU A 12 1.543 4.314 4.975 1.00 21.50 H new ATOM 171 N ILE A 13 -1.295 2.659 4.267 1.00 52.00 N ATOM 172 CA ILE A 13 -1.547 1.254 3.873 1.00 53.42 C ATOM 173 C ILE A 13 -0.233 0.487 3.747 1.00 23.14 C ATOM 174 O ILE A 13 0.840 1.100 3.793 1.00 1.02 O ATOM 175 CB ILE A 13 -2.308 1.166 2.532 1.00 62.50 C ATOM 176 CG1 ILE A 13 -1.507 1.881 1.418 1.00 15.21 C ATOM 177 CG2 ILE A 13 -3.757 1.616 2.755 1.00 54.34 C ATOM 178 CD1 ILE A 13 -1.901 1.407 0.027 1.00 63.43 C ATOM 0 H ILE A 13 -0.999 3.246 3.487 1.00 52.00 H new ATOM 0 HA ILE A 13 -2.162 0.809 4.655 1.00 53.42 H new ATOM 0 HB ILE A 13 -2.391 0.144 2.163 1.00 62.50 H new ATOM 0 HG12 ILE A 13 -1.668 2.957 1.492 1.00 15.21 H new ATOM 0 HG13 ILE A 13 -0.442 1.706 1.571 1.00 15.21 H new ATOM 0 HG21 ILE A 13 -4.305 1.558 1.814 1.00 54.34 H new ATOM 0 HG22 ILE A 13 -4.230 0.966 3.491 1.00 54.34 H new ATOM 0 HG23 ILE A 13 -3.767 2.644 3.118 1.00 54.34 H new ATOM 0 HD11 ILE A 13 -1.311 1.939 -0.719 1.00 63.43 H new ATOM 0 HD12 ILE A 13 -1.715 0.336 -0.059 1.00 63.43 H new ATOM 0 HD13 ILE A 13 -2.960 1.606 -0.139 1.00 63.43 H new ATOM 190 N ILE A 14 -0.296 -0.833 3.512 1.00 54.25 N ATOM 191 CA ILE A 14 0.895 -1.659 3.357 1.00 25.21 C ATOM 192 C ILE A 14 0.612 -2.702 2.286 1.00 53.12 C ATOM 193 O ILE A 14 -0.246 -3.561 2.440 1.00 22.11 O ATOM 194 CB ILE A 14 1.329 -2.280 4.708 1.00 1.31 C ATOM 195 CG1 ILE A 14 1.568 -1.170 5.761 1.00 72.52 C ATOM 196 CG2 ILE A 14 2.606 -3.120 4.490 1.00 44.35 C ATOM 197 CD1 ILE A 14 2.000 -1.662 7.132 1.00 25.25 C ATOM 0 H ILE A 14 -1.172 -1.348 3.426 1.00 54.25 H new ATOM 0 HA ILE A 14 1.741 -1.051 3.036 1.00 25.21 H new ATOM 0 HB ILE A 14 0.537 -2.928 5.084 1.00 1.31 H new ATOM 0 HG12 ILE A 14 2.329 -0.488 5.381 1.00 72.52 H new ATOM 0 HG13 ILE A 14 0.650 -0.593 5.872 1.00 72.52 H new ATOM 0 HG21 ILE A 14 2.918 -3.561 5.437 1.00 44.35 H new ATOM 0 HG22 ILE A 14 2.401 -3.913 3.771 1.00 44.35 H new ATOM 0 HG23 ILE A 14 3.402 -2.480 4.108 1.00 44.35 H new ATOM 0 HD11 ILE A 14 2.141 -0.810 7.797 1.00 25.25 H new ATOM 0 HD12 ILE A 14 1.232 -2.318 7.542 1.00 25.25 H new ATOM 0 HD13 ILE A 14 2.937 -2.212 7.043 1.00 25.25 H new ATOM 209 N ILE A 15 1.282 -2.623 1.148 1.00 23.42 N ATOM 210 CA ILE A 15 1.164 -3.629 0.103 1.00 40.51 C ATOM 211 C ILE A 15 1.980 -4.825 0.584 1.00 61.55 C ATOM 212 O ILE A 15 3.135 -4.646 0.990 1.00 62.21 O ATOM 213 CB ILE A 15 1.661 -3.055 -1.238 1.00 74.34 C ATOM 214 CG1 ILE A 15 1.033 -1.665 -1.494 1.00 23.22 C ATOM 215 CG2 ILE A 15 1.286 -4.031 -2.364 1.00 63.52 C ATOM 216 CD1 ILE A 15 1.387 -1.054 -2.846 1.00 15.11 C ATOM 0 H ILE A 15 1.922 -1.862 0.922 1.00 23.42 H new ATOM 0 HA ILE A 15 0.134 -3.936 -0.076 1.00 40.51 H new ATOM 0 HB ILE A 15 2.744 -2.934 -1.207 1.00 74.34 H new ATOM 0 HG12 ILE A 15 -0.051 -1.750 -1.420 1.00 23.22 H new ATOM 0 HG13 ILE A 15 1.354 -0.984 -0.706 1.00 23.22 H new ATOM 0 HG21 ILE A 15 1.633 -3.636 -3.319 1.00 63.52 H new ATOM 0 HG22 ILE A 15 1.756 -4.997 -2.179 1.00 63.52 H new ATOM 0 HG23 ILE A 15 0.203 -4.154 -2.394 1.00 63.52 H new ATOM 0 HD11 ILE A 15 0.905 -0.081 -2.943 1.00 15.11 H new ATOM 0 HD12 ILE A 15 2.468 -0.933 -2.919 1.00 15.11 H new ATOM 0 HD13 ILE A 15 1.041 -1.711 -3.644 1.00 15.11 H new ATOM 228 N GLN A 16 1.413 -6.032 0.587 1.00 63.12 N ATOM 229 CA GLN A 16 2.185 -7.228 0.864 1.00 74.33 C ATOM 230 C GLN A 16 3.016 -7.572 -0.383 1.00 0.42 C ATOM 231 O GLN A 16 2.843 -6.997 -1.453 1.00 2.40 O ATOM 232 CB GLN A 16 1.248 -8.358 1.366 1.00 44.41 C ATOM 233 CG GLN A 16 1.939 -9.231 2.412 1.00 33.35 C ATOM 234 CD GLN A 16 1.114 -10.400 2.962 1.00 55.30 C ATOM 235 OE1 GLN A 16 0.445 -11.129 2.237 1.00 31.52 O ATOM 236 NE2 GLN A 16 1.242 -10.678 4.251 1.00 12.54 N ATOM 0 H GLN A 16 0.424 -6.200 0.400 1.00 63.12 H new ATOM 0 HA GLN A 16 2.897 -7.076 1.675 1.00 74.33 H new ATOM 0 HB2 GLN A 16 0.345 -7.921 1.793 1.00 44.41 H new ATOM 0 HB3 GLN A 16 0.936 -8.975 0.524 1.00 44.41 H new ATOM 0 HG2 GLN A 16 2.854 -9.632 1.975 1.00 33.35 H new ATOM 0 HG3 GLN A 16 2.236 -8.597 3.247 1.00 33.35 H new ATOM 0 HE21 GLN A 16 1.799 -10.070 4.851 1.00 12.54 H new ATOM 0 HE22 GLN A 16 0.784 -11.500 4.643 1.00 12.54 H new ATOM 245 N GLY A 17 3.995 -8.470 -0.258 1.00 72.30 N ATOM 246 CA GLY A 17 4.650 -9.063 -1.438 1.00 44.12 C ATOM 247 C GLY A 17 4.278 -10.526 -1.657 1.00 65.11 C ATOM 248 O GLY A 17 5.102 -11.299 -2.152 1.00 63.45 O ATOM 0 H GLY A 17 4.353 -8.804 0.637 1.00 72.30 H new ATOM 0 HA2 GLY A 17 4.378 -8.489 -2.324 1.00 44.12 H new ATOM 0 HA3 GLY A 17 5.731 -8.982 -1.325 1.00 44.12 H new ATOM 252 N LEU A 18 3.077 -10.930 -1.237 1.00 34.34 N ATOM 253 CA LEU A 18 2.588 -12.288 -1.287 1.00 42.45 C ATOM 254 C LEU A 18 1.304 -12.296 -2.100 1.00 41.52 C ATOM 255 O LEU A 18 0.382 -11.549 -1.784 1.00 15.05 O ATOM 256 CB LEU A 18 2.274 -12.705 0.145 1.00 11.30 C ATOM 257 CG LEU A 18 2.694 -14.138 0.450 1.00 14.11 C ATOM 258 CD1 LEU A 18 4.192 -14.172 0.769 1.00 1.24 C ATOM 259 CD2 LEU A 18 1.863 -14.531 1.658 1.00 61.53 C ATOM 0 H LEU A 18 2.398 -10.283 -0.837 1.00 34.34 H new ATOM 0 HA LEU A 18 3.316 -12.964 -1.736 1.00 42.45 H new ATOM 0 HB2 LEU A 18 2.780 -12.029 0.834 1.00 11.30 H new ATOM 0 HB3 LEU A 18 1.204 -12.600 0.323 1.00 11.30 H new ATOM 0 HG LEU A 18 2.533 -14.822 -0.384 1.00 14.11 H new ATOM 0 HD11 LEU A 18 4.494 -15.196 0.987 1.00 1.24 H new ATOM 0 HD12 LEU A 18 4.755 -13.802 -0.088 1.00 1.24 H new ATOM 0 HD13 LEU A 18 4.394 -13.542 1.635 1.00 1.24 H new ATOM 0 HD21 LEU A 18 2.103 -15.554 1.947 1.00 61.53 H new ATOM 0 HD22 LEU A 18 2.085 -13.858 2.487 1.00 61.53 H new ATOM 0 HD23 LEU A 18 0.804 -14.463 1.409 1.00 61.53 H new ATOM 271 N THR A 19 1.220 -13.140 -3.119 1.00 24.30 N ATOM 272 CA THR A 19 -0.027 -13.362 -3.831 1.00 54.45 C ATOM 273 C THR A 19 -1.102 -13.835 -2.846 1.00 13.04 C ATOM 274 O THR A 19 -0.784 -14.450 -1.819 1.00 54.11 O ATOM 275 CB THR A 19 0.176 -14.396 -4.950 1.00 1.03 C ATOM 276 OG1 THR A 19 0.650 -15.624 -4.419 1.00 50.33 O ATOM 277 CG2 THR A 19 1.172 -13.915 -6.008 1.00 2.13 C ATOM 0 H THR A 19 2.007 -13.685 -3.472 1.00 24.30 H new ATOM 0 HA THR A 19 -0.353 -12.427 -4.287 1.00 54.45 H new ATOM 0 HB THR A 19 -0.798 -14.535 -5.419 1.00 1.03 H new ATOM 0 HG1 THR A 19 1.530 -15.486 -4.011 1.00 50.33 H new ATOM 0 HG21 THR A 19 1.283 -14.679 -6.778 1.00 2.13 H new ATOM 0 HG22 THR A 19 0.805 -12.994 -6.461 1.00 2.13 H new ATOM 0 HG23 THR A 19 2.139 -13.729 -5.540 1.00 2.13 H new ATOM 285 N ARG A 20 -2.380 -13.643 -3.181 1.00 44.50 N ATOM 286 CA ARG A 20 -3.503 -14.164 -2.399 1.00 63.12 C ATOM 287 C ARG A 20 -3.456 -15.678 -2.197 1.00 61.04 C ATOM 288 O ARG A 20 -4.005 -16.185 -1.228 1.00 40.52 O ATOM 289 CB ARG A 20 -4.834 -13.721 -3.025 1.00 12.05 C ATOM 290 CG ARG A 20 -5.165 -14.233 -4.438 1.00 40.32 C ATOM 291 CD ARG A 20 -6.399 -13.502 -5.006 1.00 45.14 C ATOM 292 NE ARG A 20 -7.584 -14.363 -5.181 1.00 32.21 N ATOM 293 CZ ARG A 20 -8.667 -14.058 -5.911 1.00 53.20 C ATOM 294 NH1 ARG A 20 -8.770 -12.880 -6.509 1.00 60.24 N ATOM 295 NH2 ARG A 20 -9.646 -14.937 -6.058 1.00 74.53 N ATOM 0 H ARG A 20 -2.666 -13.118 -4.008 1.00 44.50 H new ATOM 0 HA ARG A 20 -3.418 -13.736 -1.400 1.00 63.12 H new ATOM 0 HB2 ARG A 20 -5.638 -14.032 -2.358 1.00 12.05 H new ATOM 0 HB3 ARG A 20 -4.846 -12.631 -3.052 1.00 12.05 H new ATOM 0 HG2 ARG A 20 -4.310 -14.079 -5.096 1.00 40.32 H new ATOM 0 HG3 ARG A 20 -5.354 -15.306 -4.407 1.00 40.32 H new ATOM 0 HD2 ARG A 20 -6.657 -12.678 -4.341 1.00 45.14 H new ATOM 0 HD3 ARG A 20 -6.137 -13.064 -5.969 1.00 45.14 H new ATOM 0 HE ARG A 20 -7.579 -15.266 -4.707 1.00 32.21 H new ATOM 0 HH11 ARG A 20 -8.021 -12.194 -6.417 1.00 60.24 H new ATOM 0 HH12 ARG A 20 -9.598 -12.659 -7.062 1.00 60.24 H new ATOM 0 HH21 ARG A 20 -9.580 -15.853 -5.615 1.00 74.53 H new ATOM 0 HH22 ARG A 20 -10.467 -14.698 -6.615 1.00 74.53 H new ATOM 309 N ALA A 21 -2.784 -16.408 -3.088 1.00 54.53 N ATOM 310 CA ALA A 21 -2.553 -17.852 -3.001 1.00 45.14 C ATOM 311 C ALA A 21 -1.526 -18.228 -1.916 1.00 61.12 C ATOM 312 O ALA A 21 -1.257 -19.410 -1.701 1.00 73.41 O ATOM 313 CB ALA A 21 -2.089 -18.368 -4.371 1.00 12.42 C ATOM 0 H ALA A 21 -2.369 -15.994 -3.923 1.00 54.53 H new ATOM 0 HA ALA A 21 -3.494 -18.322 -2.714 1.00 45.14 H new ATOM 0 HB1 ALA A 21 -1.915 -19.443 -4.315 1.00 12.42 H new ATOM 0 HB2 ALA A 21 -2.858 -18.163 -5.116 1.00 12.42 H new ATOM 0 HB3 ALA A 21 -1.165 -17.865 -4.655 1.00 12.42 H new ATOM 319 N GLY A 22 -0.927 -17.244 -1.243 1.00 5.41 N ATOM 320 CA GLY A 22 0.031 -17.449 -0.170 1.00 64.14 C ATOM 321 C GLY A 22 1.421 -17.824 -0.682 1.00 24.33 C ATOM 322 O GLY A 22 2.165 -18.512 0.016 1.00 75.55 O ATOM 0 H GLY A 22 -1.104 -16.259 -1.439 1.00 5.41 H new ATOM 0 HA2 GLY A 22 0.102 -16.540 0.427 1.00 64.14 H new ATOM 0 HA3 GLY A 22 -0.333 -18.236 0.490 1.00 64.14 H new ATOM 326 N LYS A 23 1.781 -17.418 -1.905 1.00 70.45 N ATOM 327 CA LYS A 23 3.118 -17.579 -2.465 1.00 24.54 C ATOM 328 C LYS A 23 3.752 -16.209 -2.671 1.00 23.50 C ATOM 329 O LYS A 23 3.035 -15.275 -3.044 1.00 40.01 O ATOM 330 CB LYS A 23 3.061 -18.334 -3.801 1.00 54.41 C ATOM 331 CG LYS A 23 3.071 -19.853 -3.609 1.00 54.12 C ATOM 332 CD LYS A 23 1.714 -20.478 -3.269 1.00 13.44 C ATOM 333 CE LYS A 23 1.965 -21.942 -2.915 1.00 72.20 C ATOM 334 NZ LYS A 23 0.765 -22.612 -2.388 1.00 70.34 N ATOM 0 H LYS A 23 1.132 -16.958 -2.544 1.00 70.45 H new ATOM 0 HA LYS A 23 3.721 -18.160 -1.768 1.00 24.54 H new ATOM 0 HB2 LYS A 23 2.160 -18.044 -4.342 1.00 54.41 H new ATOM 0 HB3 LYS A 23 3.911 -18.042 -4.418 1.00 54.41 H new ATOM 0 HG2 LYS A 23 3.447 -20.316 -4.521 1.00 54.12 H new ATOM 0 HG3 LYS A 23 3.775 -20.098 -2.814 1.00 54.12 H new ATOM 0 HD2 LYS A 23 1.248 -19.955 -2.434 1.00 13.44 H new ATOM 0 HD3 LYS A 23 1.031 -20.399 -4.115 1.00 13.44 H new ATOM 0 HE2 LYS A 23 2.312 -22.472 -3.802 1.00 72.20 H new ATOM 0 HE3 LYS A 23 2.764 -22.001 -2.176 1.00 72.20 H new ATOM 0 HZ1 LYS A 23 0.990 -23.602 -2.164 1.00 70.34 H new ATOM 0 HZ2 LYS A 23 0.446 -22.126 -1.526 1.00 70.34 H new ATOM 0 HZ3 LYS A 23 0.009 -22.582 -3.102 1.00 70.34 H new ATOM 348 N PRO A 24 5.072 -16.067 -2.481 1.00 54.45 N ATOM 349 CA PRO A 24 5.766 -14.804 -2.678 1.00 32.45 C ATOM 350 C PRO A 24 5.793 -14.439 -4.162 1.00 13.43 C ATOM 351 O PRO A 24 5.575 -15.286 -5.037 1.00 2.11 O ATOM 352 CB PRO A 24 7.164 -15.023 -2.090 1.00 52.53 C ATOM 353 CG PRO A 24 7.400 -16.521 -2.286 1.00 40.22 C ATOM 354 CD PRO A 24 6.006 -17.122 -2.124 1.00 14.24 C ATOM 0 HA PRO A 24 5.274 -13.964 -2.187 1.00 32.45 H new ATOM 0 HB2 PRO A 24 7.916 -14.427 -2.607 1.00 52.53 H new ATOM 0 HB3 PRO A 24 7.205 -14.744 -1.037 1.00 52.53 H new ATOM 0 HG2 PRO A 24 7.819 -16.737 -3.269 1.00 40.22 H new ATOM 0 HG3 PRO A 24 8.097 -16.918 -1.548 1.00 40.22 H new ATOM 0 HD2 PRO A 24 5.878 -17.991 -2.769 1.00 14.24 H new ATOM 0 HD3 PRO A 24 5.842 -17.458 -1.100 1.00 14.24 H new ATOM 362 N PHE A 25 6.076 -13.174 -4.463 1.00 72.55 N ATOM 363 CA PHE A 25 6.133 -12.670 -5.824 1.00 42.02 C ATOM 364 C PHE A 25 7.605 -12.497 -6.220 1.00 2.53 C ATOM 365 O PHE A 25 8.471 -12.456 -5.337 1.00 51.43 O ATOM 366 CB PHE A 25 5.336 -11.362 -5.806 1.00 14.32 C ATOM 367 CG PHE A 25 5.179 -10.680 -7.146 1.00 60.44 C ATOM 368 CD1 PHE A 25 4.357 -11.262 -8.130 1.00 24.51 C ATOM 369 CD2 PHE A 25 5.810 -9.448 -7.395 1.00 32.01 C ATOM 370 CE1 PHE A 25 4.172 -10.622 -9.366 1.00 54.42 C ATOM 371 CE2 PHE A 25 5.609 -8.796 -8.625 1.00 12.10 C ATOM 372 CZ PHE A 25 4.792 -9.385 -9.608 1.00 10.03 C ATOM 0 H PHE A 25 6.274 -12.465 -3.757 1.00 72.55 H new ATOM 0 HA PHE A 25 5.702 -13.338 -6.569 1.00 42.02 H new ATOM 0 HB2 PHE A 25 4.344 -11.566 -5.403 1.00 14.32 H new ATOM 0 HB3 PHE A 25 5.823 -10.669 -5.120 1.00 14.32 H new ATOM 0 HD1 PHE A 25 3.867 -12.204 -7.933 1.00 24.51 H new ATOM 0 HD2 PHE A 25 6.447 -9.004 -6.644 1.00 32.01 H new ATOM 0 HE1 PHE A 25 3.556 -11.078 -10.127 1.00 54.42 H new ATOM 0 HE2 PHE A 25 6.082 -7.844 -8.815 1.00 12.10 H new ATOM 0 HZ PHE A 25 4.641 -8.884 -10.553 1.00 10.03 H new ATOM 382 N ARG A 26 7.903 -12.351 -7.514 1.00 2.55 N ATOM 383 CA ARG A 26 9.204 -11.902 -8.011 1.00 52.01 C ATOM 384 C ARG A 26 9.000 -10.696 -8.943 1.00 55.04 C ATOM 385 O ARG A 26 7.952 -10.620 -9.597 1.00 22.01 O ATOM 386 CB ARG A 26 9.977 -13.031 -8.716 1.00 1.10 C ATOM 387 CG ARG A 26 10.669 -14.020 -7.754 1.00 21.14 C ATOM 388 CD ARG A 26 12.172 -13.705 -7.670 1.00 61.52 C ATOM 389 NE ARG A 26 12.858 -14.272 -6.500 1.00 72.42 N ATOM 390 CZ ARG A 26 13.432 -15.472 -6.362 1.00 43.01 C ATOM 391 NH1 ARG A 26 13.166 -16.490 -7.172 1.00 62.43 N ATOM 392 NH2 ARG A 26 14.317 -15.658 -5.390 1.00 75.42 N ATOM 0 H ARG A 26 7.233 -12.546 -8.258 1.00 2.55 H new ATOM 0 HA ARG A 26 9.815 -11.601 -7.160 1.00 52.01 H new ATOM 0 HB2 ARG A 26 9.288 -13.584 -9.354 1.00 1.10 H new ATOM 0 HB3 ARG A 26 10.730 -12.588 -9.368 1.00 1.10 H new ATOM 0 HG2 ARG A 26 10.219 -13.953 -6.764 1.00 21.14 H new ATOM 0 HG3 ARG A 26 10.522 -15.042 -8.102 1.00 21.14 H new ATOM 0 HD2 ARG A 26 12.657 -14.076 -8.573 1.00 61.52 H new ATOM 0 HD3 ARG A 26 12.302 -12.623 -7.660 1.00 61.52 H new ATOM 0 HE ARG A 26 12.902 -13.667 -5.680 1.00 72.42 H new ATOM 0 HH11 ARG A 26 12.501 -16.373 -7.936 1.00 62.43 H new ATOM 0 HH12 ARG A 26 13.627 -17.389 -7.030 1.00 62.43 H new ATOM 0 HH21 ARG A 26 14.551 -14.891 -4.760 1.00 75.42 H new ATOM 0 HH22 ARG A 26 14.762 -16.568 -5.273 1.00 75.42 H new ATOM 406 N PRO A 27 9.979 -9.786 -9.067 1.00 14.33 N ATOM 407 CA PRO A 27 11.279 -9.857 -8.409 1.00 51.31 C ATOM 408 C PRO A 27 11.139 -9.697 -6.889 1.00 35.21 C ATOM 409 O PRO A 27 10.102 -9.226 -6.410 1.00 31.42 O ATOM 410 CB PRO A 27 12.098 -8.718 -9.031 1.00 61.53 C ATOM 411 CG PRO A 27 11.050 -7.703 -9.480 1.00 33.23 C ATOM 412 CD PRO A 27 9.878 -8.591 -9.891 1.00 12.24 C ATOM 0 HA PRO A 27 11.763 -10.823 -8.554 1.00 51.31 H new ATOM 0 HB2 PRO A 27 12.789 -8.284 -8.308 1.00 61.53 H new ATOM 0 HB3 PRO A 27 12.696 -9.071 -9.871 1.00 61.53 H new ATOM 0 HG2 PRO A 27 10.778 -7.019 -8.676 1.00 33.23 H new ATOM 0 HG3 PRO A 27 11.406 -7.093 -10.310 1.00 33.23 H new ATOM 0 HD2 PRO A 27 8.927 -8.083 -9.729 1.00 12.24 H new ATOM 0 HD3 PRO A 27 9.929 -8.841 -10.951 1.00 12.24 H new ATOM 420 N SER A 28 12.115 -10.162 -6.103 1.00 40.33 N ATOM 421 CA SER A 28 11.966 -10.098 -4.648 1.00 64.14 C ATOM 422 C SER A 28 12.067 -8.644 -4.188 1.00 53.42 C ATOM 423 O SER A 28 11.287 -8.193 -3.354 1.00 51.10 O ATOM 424 CB SER A 28 12.996 -10.958 -3.911 1.00 50.33 C ATOM 425 OG SER A 28 13.315 -12.147 -4.612 1.00 5.32 O ATOM 0 H SER A 28 12.987 -10.573 -6.435 1.00 40.33 H new ATOM 0 HA SER A 28 10.984 -10.502 -4.401 1.00 64.14 H new ATOM 0 HB2 SER A 28 13.905 -10.377 -3.756 1.00 50.33 H new ATOM 0 HB3 SER A 28 12.610 -11.215 -2.924 1.00 50.33 H new ATOM 0 HG SER A 28 13.977 -12.660 -4.102 1.00 5.32 H new ATOM 431 N ASP A 29 12.995 -7.909 -4.793 1.00 43.23 N ATOM 432 CA ASP A 29 13.523 -6.623 -4.348 1.00 51.21 C ATOM 433 C ASP A 29 12.610 -5.468 -4.797 1.00 71.35 C ATOM 434 O ASP A 29 12.982 -4.301 -4.693 1.00 45.13 O ATOM 435 CB ASP A 29 14.957 -6.441 -4.894 1.00 64.11 C ATOM 436 CG ASP A 29 15.949 -7.591 -4.635 1.00 12.44 C ATOM 437 OD1 ASP A 29 15.655 -8.555 -3.882 1.00 33.32 O ATOM 438 OD2 ASP A 29 16.992 -7.616 -5.326 1.00 2.35 O ATOM 0 H ASP A 29 13.427 -8.216 -5.665 1.00 43.23 H new ATOM 0 HA ASP A 29 13.554 -6.608 -3.259 1.00 51.21 H new ATOM 0 HB2 ASP A 29 14.893 -6.283 -5.971 1.00 64.11 H new ATOM 0 HB3 ASP A 29 15.372 -5.530 -4.462 1.00 64.11 H new ATOM 443 N TRP A 30 11.406 -5.781 -5.303 1.00 71.13 N ATOM 444 CA TRP A 30 10.454 -4.863 -5.932 1.00 12.12 C ATOM 445 C TRP A 30 10.176 -3.613 -5.094 1.00 31.14 C ATOM 446 O TRP A 30 9.925 -2.539 -5.636 1.00 32.43 O ATOM 447 CB TRP A 30 9.137 -5.610 -6.208 1.00 4.45 C ATOM 448 CG TRP A 30 8.340 -6.024 -4.998 1.00 25.11 C ATOM 449 CD1 TRP A 30 8.413 -7.214 -4.361 1.00 45.44 C ATOM 450 CD2 TRP A 30 7.291 -5.284 -4.303 1.00 74.44 C ATOM 451 NE1 TRP A 30 7.518 -7.253 -3.317 1.00 20.32 N ATOM 452 CE2 TRP A 30 6.775 -6.097 -3.249 1.00 14.50 C ATOM 453 CE3 TRP A 30 6.685 -4.027 -4.493 1.00 73.24 C ATOM 454 CZ2 TRP A 30 5.679 -5.703 -2.466 1.00 43.04 C ATOM 455 CZ3 TRP A 30 5.570 -3.633 -3.731 1.00 64.50 C ATOM 456 CH2 TRP A 30 5.054 -4.482 -2.741 1.00 44.13 C ATOM 0 H TRP A 30 11.055 -6.738 -5.281 1.00 71.13 H new ATOM 0 HA TRP A 30 10.906 -4.519 -6.862 1.00 12.12 H new ATOM 0 HB2 TRP A 30 8.508 -4.975 -6.832 1.00 4.45 H new ATOM 0 HB3 TRP A 30 9.365 -6.503 -6.790 1.00 4.45 H new ATOM 0 HD1 TRP A 30 9.079 -8.019 -4.633 1.00 45.44 H new ATOM 0 HE1 TRP A 30 7.418 -8.039 -2.675 1.00 20.32 H new ATOM 0 HE3 TRP A 30 7.083 -3.353 -5.237 1.00 73.24 H new ATOM 0 HZ2 TRP A 30 5.324 -6.333 -1.664 1.00 43.04 H new ATOM 0 HZ3 TRP A 30 5.109 -2.673 -3.909 1.00 64.50 H new ATOM 0 HH2 TRP A 30 4.172 -4.192 -2.189 1.00 44.13 H new ATOM 467 N VAL A 31 10.229 -3.763 -3.774 1.00 62.44 N ATOM 468 CA VAL A 31 9.976 -2.719 -2.797 1.00 14.41 C ATOM 469 C VAL A 31 10.945 -1.554 -3.020 1.00 54.13 C ATOM 470 O VAL A 31 10.519 -0.399 -3.095 1.00 12.41 O ATOM 471 CB VAL A 31 10.090 -3.359 -1.399 1.00 24.13 C ATOM 472 CG1 VAL A 31 9.986 -2.367 -0.240 1.00 54.12 C ATOM 473 CG2 VAL A 31 8.994 -4.424 -1.240 1.00 23.55 C ATOM 0 H VAL A 31 10.460 -4.657 -3.341 1.00 62.44 H new ATOM 0 HA VAL A 31 8.977 -2.295 -2.897 1.00 14.41 H new ATOM 0 HB VAL A 31 11.089 -3.792 -1.346 1.00 24.13 H new ATOM 0 HG11 VAL A 31 10.076 -2.902 0.706 1.00 54.12 H new ATOM 0 HG12 VAL A 31 10.786 -1.631 -0.318 1.00 54.12 H new ATOM 0 HG13 VAL A 31 9.022 -1.861 -0.280 1.00 54.12 H new ATOM 0 HG21 VAL A 31 9.070 -4.880 -0.253 1.00 23.55 H new ATOM 0 HG22 VAL A 31 8.015 -3.958 -1.350 1.00 23.55 H new ATOM 0 HG23 VAL A 31 9.118 -5.191 -2.004 1.00 23.55 H new ATOM 483 N ASP A 32 12.238 -1.851 -3.173 1.00 44.12 N ATOM 484 CA ASP A 32 13.250 -0.809 -3.304 1.00 53.42 C ATOM 485 C ASP A 32 13.142 -0.142 -4.676 1.00 54.31 C ATOM 486 O ASP A 32 13.366 1.064 -4.810 1.00 51.34 O ATOM 487 CB ASP A 32 14.665 -1.355 -3.051 1.00 10.02 C ATOM 488 CG ASP A 32 15.475 -0.401 -2.161 1.00 72.45 C ATOM 489 OD1 ASP A 32 14.990 -0.077 -1.051 1.00 1.53 O ATOM 490 OD2 ASP A 32 16.624 -0.035 -2.480 1.00 41.41 O ATOM 0 H ASP A 32 12.604 -2.802 -3.209 1.00 44.12 H new ATOM 0 HA ASP A 32 13.065 -0.055 -2.539 1.00 53.42 H new ATOM 0 HB2 ASP A 32 14.601 -2.334 -2.576 1.00 10.02 H new ATOM 0 HB3 ASP A 32 15.179 -1.495 -4.002 1.00 10.02 H new ATOM 495 N ARG A 33 12.713 -0.894 -5.698 1.00 23.13 N ATOM 496 CA ARG A 33 12.427 -0.322 -7.012 1.00 64.55 C ATOM 497 C ARG A 33 11.288 0.685 -6.927 1.00 12.44 C ATOM 498 O ARG A 33 11.416 1.777 -7.474 1.00 31.34 O ATOM 499 CB ARG A 33 12.113 -1.404 -8.056 1.00 44.24 C ATOM 500 CG ARG A 33 13.302 -2.350 -8.310 1.00 12.21 C ATOM 501 CD ARG A 33 13.450 -2.679 -9.800 1.00 10.21 C ATOM 502 NE ARG A 33 13.831 -1.478 -10.568 1.00 61.44 N ATOM 503 CZ ARG A 33 13.742 -1.311 -11.891 1.00 0.44 C ATOM 504 NH1 ARG A 33 13.214 -2.259 -12.656 1.00 52.21 N ATOM 505 NH2 ARG A 33 14.175 -0.185 -12.450 1.00 45.25 N ATOM 0 H ARG A 33 12.558 -1.900 -5.636 1.00 23.13 H new ATOM 0 HA ARG A 33 13.328 0.196 -7.340 1.00 64.55 H new ATOM 0 HB2 ARG A 33 11.255 -1.987 -7.721 1.00 44.24 H new ATOM 0 HB3 ARG A 33 11.828 -0.926 -8.993 1.00 44.24 H new ATOM 0 HG2 ARG A 33 14.220 -1.889 -7.945 1.00 12.21 H new ATOM 0 HG3 ARG A 33 13.162 -3.272 -7.745 1.00 12.21 H new ATOM 0 HD2 ARG A 33 14.204 -3.455 -9.932 1.00 10.21 H new ATOM 0 HD3 ARG A 33 12.511 -3.078 -10.184 1.00 10.21 H new ATOM 0 HE ARG A 33 14.201 -0.693 -10.033 1.00 61.44 H new ATOM 0 HH11 ARG A 33 12.872 -3.123 -12.235 1.00 52.21 H new ATOM 0 HH12 ARG A 33 13.150 -2.123 -13.665 1.00 52.21 H new ATOM 0 HH21 ARG A 33 14.575 0.552 -11.869 1.00 45.25 H new ATOM 0 HH22 ARG A 33 14.107 -0.058 -13.460 1.00 45.25 H new ATOM 519 N MET A 34 10.191 0.339 -6.251 1.00 20.11 N ATOM 520 CA MET A 34 9.021 1.198 -6.147 1.00 52.34 C ATOM 521 C MET A 34 9.320 2.457 -5.345 1.00 4.15 C ATOM 522 O MET A 34 8.856 3.526 -5.736 1.00 23.04 O ATOM 523 CB MET A 34 7.824 0.451 -5.550 1.00 34.32 C ATOM 524 CG MET A 34 7.246 -0.544 -6.557 1.00 2.34 C ATOM 525 SD MET A 34 5.579 -1.103 -6.149 1.00 23.22 S ATOM 526 CE MET A 34 4.694 -0.278 -7.489 1.00 73.35 C ATOM 0 H MET A 34 10.094 -0.550 -5.760 1.00 20.11 H new ATOM 0 HA MET A 34 8.758 1.499 -7.161 1.00 52.34 H new ATOM 0 HB2 MET A 34 8.132 -0.076 -4.647 1.00 34.32 H new ATOM 0 HB3 MET A 34 7.055 1.165 -5.255 1.00 34.32 H new ATOM 0 HG2 MET A 34 7.233 -0.082 -7.544 1.00 2.34 H new ATOM 0 HG3 MET A 34 7.905 -1.410 -6.618 1.00 2.34 H new ATOM 0 HE1 MET A 34 3.620 -0.398 -7.344 1.00 73.35 H new ATOM 0 HE2 MET A 34 4.944 0.783 -7.491 1.00 73.35 H new ATOM 0 HE3 MET A 34 4.983 -0.721 -8.442 1.00 73.35 H new ATOM 536 N CYS A 35 10.099 2.392 -4.255 1.00 62.32 N ATOM 537 CA CYS A 35 10.490 3.639 -3.601 1.00 10.41 C ATOM 538 C CYS A 35 11.340 4.486 -4.565 1.00 3.22 C ATOM 539 O CYS A 35 11.098 5.686 -4.693 1.00 35.53 O ATOM 540 CB CYS A 35 11.107 3.409 -2.212 1.00 22.50 C ATOM 541 SG CYS A 35 12.743 2.649 -2.254 1.00 52.04 S ATOM 0 H CYS A 35 10.453 1.535 -3.829 1.00 62.32 H new ATOM 0 HA CYS A 35 9.599 4.227 -3.380 1.00 10.41 H new ATOM 0 HB2 CYS A 35 11.175 4.365 -1.693 1.00 22.50 H new ATOM 0 HB3 CYS A 35 10.438 2.776 -1.629 1.00 22.50 H new ATOM 0 HG CYS A 35 13.652 3.578 -2.294 1.00 52.04 H new ATOM 547 N SER A 36 12.245 3.863 -5.329 1.00 23.30 N ATOM 548 CA SER A 36 13.056 4.526 -6.349 1.00 71.11 C ATOM 549 C SER A 36 12.244 5.108 -7.522 1.00 52.40 C ATOM 550 O SER A 36 12.778 5.946 -8.249 1.00 31.21 O ATOM 551 CB SER A 36 14.131 3.576 -6.873 1.00 43.24 C ATOM 552 OG SER A 36 14.923 3.040 -5.830 1.00 24.01 O ATOM 0 H SER A 36 12.436 2.864 -5.252 1.00 23.30 H new ATOM 0 HA SER A 36 13.518 5.379 -5.852 1.00 71.11 H new ATOM 0 HB2 SER A 36 13.658 2.762 -7.423 1.00 43.24 H new ATOM 0 HB3 SER A 36 14.771 4.107 -7.577 1.00 43.24 H new ATOM 0 HG SER A 36 14.444 2.299 -5.404 1.00 24.01 H new ATOM 558 N THR A 37 10.987 4.704 -7.731 1.00 1.30 N ATOM 559 CA THR A 37 10.096 5.282 -8.738 1.00 24.34 C ATOM 560 C THR A 37 9.653 6.705 -8.350 1.00 35.53 C ATOM 561 O THR A 37 9.426 7.540 -9.227 1.00 21.11 O ATOM 562 CB THR A 37 8.880 4.346 -8.904 1.00 41.03 C ATOM 563 OG1 THR A 37 9.279 3.038 -9.272 1.00 44.22 O ATOM 564 CG2 THR A 37 7.883 4.842 -9.949 1.00 22.41 C ATOM 0 H THR A 37 10.554 3.952 -7.194 1.00 1.30 H new ATOM 0 HA THR A 37 10.627 5.370 -9.686 1.00 24.34 H new ATOM 0 HB THR A 37 8.394 4.337 -7.928 1.00 41.03 H new ATOM 0 HG1 THR A 37 9.877 2.673 -8.587 1.00 44.22 H new ATOM 0 HG21 THR A 37 7.051 4.141 -10.019 1.00 22.41 H new ATOM 0 HG22 THR A 37 7.508 5.823 -9.657 1.00 22.41 H new ATOM 0 HG23 THR A 37 8.378 4.916 -10.917 1.00 22.41 H new ATOM 572 N TYR A 38 9.514 6.994 -7.052 1.00 72.01 N ATOM 573 CA TYR A 38 8.887 8.226 -6.560 1.00 41.11 C ATOM 574 C TYR A 38 9.867 9.100 -5.779 1.00 41.32 C ATOM 575 O TYR A 38 9.506 10.184 -5.323 1.00 15.51 O ATOM 576 CB TYR A 38 7.655 7.856 -5.721 1.00 44.02 C ATOM 577 CG TYR A 38 6.537 7.273 -6.563 1.00 72.22 C ATOM 578 CD1 TYR A 38 5.742 8.140 -7.334 1.00 32.10 C ATOM 579 CD2 TYR A 38 6.349 5.880 -6.659 1.00 35.22 C ATOM 580 CE1 TYR A 38 4.815 7.627 -8.253 1.00 24.23 C ATOM 581 CE2 TYR A 38 5.411 5.356 -7.568 1.00 0.45 C ATOM 582 CZ TYR A 38 4.677 6.230 -8.400 1.00 24.22 C ATOM 583 OH TYR A 38 3.867 5.720 -9.361 1.00 41.44 O ATOM 0 H TYR A 38 9.836 6.375 -6.308 1.00 72.01 H new ATOM 0 HA TYR A 38 8.572 8.827 -7.413 1.00 41.11 H new ATOM 0 HB2 TYR A 38 7.943 7.136 -4.955 1.00 44.02 H new ATOM 0 HB3 TYR A 38 7.291 8.744 -5.203 1.00 44.02 H new ATOM 0 HD1 TYR A 38 5.846 9.209 -7.218 1.00 32.10 H new ATOM 0 HD2 TYR A 38 6.925 5.214 -6.034 1.00 35.22 H new ATOM 0 HE1 TYR A 38 4.210 8.297 -8.845 1.00 24.23 H new ATOM 0 HE2 TYR A 38 5.253 4.289 -7.629 1.00 0.45 H new ATOM 0 HH TYR A 38 3.890 4.741 -9.323 1.00 41.44 H new ATOM 593 N ALA A 39 11.098 8.628 -5.616 1.00 25.13 N ATOM 594 CA ALA A 39 12.165 9.301 -4.914 1.00 44.04 C ATOM 595 C ALA A 39 12.869 10.305 -5.831 1.00 10.45 C ATOM 596 O ALA A 39 12.510 10.477 -6.996 1.00 33.23 O ATOM 597 CB ALA A 39 13.119 8.216 -4.431 1.00 33.12 C ATOM 0 H ALA A 39 11.384 7.723 -5.990 1.00 25.13 H new ATOM 0 HA ALA A 39 11.784 9.876 -4.070 1.00 44.04 H new ATOM 0 HB1 ALA A 39 13.948 8.674 -3.891 1.00 33.12 H new ATOM 0 HB2 ALA A 39 12.588 7.533 -3.768 1.00 33.12 H new ATOM 0 HB3 ALA A 39 13.505 7.663 -5.288 1.00 33.12 H new ATOM 603 N SER A 40 13.900 10.961 -5.302 1.00 12.04 N ATOM 604 CA SER A 40 14.682 11.945 -6.038 1.00 71.44 C ATOM 605 C SER A 40 16.117 11.971 -5.526 1.00 63.10 C ATOM 606 O SER A 40 16.401 11.468 -4.441 1.00 60.01 O ATOM 607 CB SER A 40 13.982 13.313 -5.932 1.00 2.32 C ATOM 608 OG SER A 40 13.726 13.692 -4.590 1.00 71.44 O ATOM 0 H SER A 40 14.216 10.821 -4.342 1.00 12.04 H new ATOM 0 HA SER A 40 14.740 11.679 -7.093 1.00 71.44 H new ATOM 0 HB2 SER A 40 14.602 14.072 -6.408 1.00 2.32 H new ATOM 0 HB3 SER A 40 13.041 13.279 -6.482 1.00 2.32 H new ATOM 0 HG SER A 40 13.283 14.566 -4.576 1.00 71.44 H new ATOM 728 N ARG A 48 17.455 9.911 -2.420 1.00 22.02 N ATOM 729 CA ARG A 48 16.826 10.070 -1.124 1.00 52.55 C ATOM 730 C ARG A 48 15.396 9.586 -1.288 1.00 5.34 C ATOM 731 O ARG A 48 14.620 10.186 -2.033 1.00 64.13 O ATOM 732 CB ARG A 48 16.889 11.550 -0.694 1.00 72.31 C ATOM 733 CG ARG A 48 17.000 11.723 0.827 1.00 55.04 C ATOM 734 CD ARG A 48 15.768 11.225 1.596 1.00 70.21 C ATOM 735 NE ARG A 48 15.858 11.522 3.037 1.00 14.40 N ATOM 736 CZ ARG A 48 14.901 11.266 3.939 1.00 23.15 C ATOM 737 NH1 ARG A 48 13.766 10.690 3.567 1.00 4.15 N ATOM 738 NH2 ARG A 48 15.081 11.545 5.230 1.00 24.10 N ATOM 0 HA ARG A 48 17.329 9.498 -0.344 1.00 52.55 H new ATOM 0 HB2 ARG A 48 17.744 12.027 -1.173 1.00 72.31 H new ATOM 0 HB3 ARG A 48 15.997 12.065 -1.050 1.00 72.31 H new ATOM 0 HG2 ARG A 48 17.880 11.186 1.182 1.00 55.04 H new ATOM 0 HG3 ARG A 48 17.157 12.778 1.053 1.00 55.04 H new ATOM 0 HD2 ARG A 48 14.872 11.691 1.185 1.00 70.21 H new ATOM 0 HD3 ARG A 48 15.662 10.150 1.454 1.00 70.21 H new ATOM 0 HE ARG A 48 16.717 11.957 3.374 1.00 14.40 H new ATOM 0 HH11 ARG A 48 13.618 10.439 2.589 1.00 4.15 H new ATOM 0 HH12 ARG A 48 13.041 10.498 4.258 1.00 4.15 H new ATOM 0 HH21 ARG A 48 15.958 11.960 5.545 1.00 24.10 H new ATOM 0 HH22 ARG A 48 14.342 11.344 5.903 1.00 24.10 H new ATOM 752 N TYR A 49 15.057 8.465 -0.659 1.00 4.40 N ATOM 753 CA TYR A 49 13.689 7.972 -0.665 1.00 31.11 C ATOM 754 C TYR A 49 12.791 8.962 0.084 1.00 43.41 C ATOM 755 O TYR A 49 13.161 9.462 1.148 1.00 13.21 O ATOM 756 CB TYR A 49 13.640 6.555 -0.074 1.00 2.54 C ATOM 757 CG TYR A 49 14.521 5.520 -0.770 1.00 4.42 C ATOM 758 CD1 TYR A 49 14.735 5.554 -2.164 1.00 50.03 C ATOM 759 CD2 TYR A 49 15.129 4.498 -0.017 1.00 35.33 C ATOM 760 CE1 TYR A 49 15.529 4.580 -2.796 1.00 11.41 C ATOM 761 CE2 TYR A 49 15.918 3.518 -0.647 1.00 31.51 C ATOM 762 CZ TYR A 49 16.118 3.541 -2.046 1.00 12.33 C ATOM 763 OH TYR A 49 16.930 2.643 -2.671 1.00 24.45 O ATOM 0 H TYR A 49 15.713 7.882 -0.139 1.00 4.40 H new ATOM 0 HA TYR A 49 13.314 7.899 -1.686 1.00 31.11 H new ATOM 0 HB2 TYR A 49 13.932 6.608 0.975 1.00 2.54 H new ATOM 0 HB3 TYR A 49 12.608 6.205 -0.101 1.00 2.54 H new ATOM 0 HD1 TYR A 49 14.283 6.338 -2.754 1.00 50.03 H new ATOM 0 HD2 TYR A 49 14.989 4.466 1.053 1.00 35.33 H new ATOM 0 HE1 TYR A 49 15.689 4.628 -3.863 1.00 11.41 H new ATOM 0 HE2 TYR A 49 16.376 2.739 -0.055 1.00 31.51 H new ATOM 0 HH TYR A 49 16.727 1.740 -2.350 1.00 24.45 H new ATOM 773 N SER A 50 11.631 9.272 -0.490 1.00 21.55 N ATOM 774 CA SER A 50 10.610 10.145 0.077 1.00 21.14 C ATOM 775 C SER A 50 9.983 9.544 1.350 1.00 23.43 C ATOM 776 O SER A 50 10.143 8.351 1.623 1.00 43.34 O ATOM 777 CB SER A 50 9.579 10.377 -1.036 1.00 15.42 C ATOM 778 OG SER A 50 10.208 11.084 -2.088 1.00 54.43 O ATOM 0 H SER A 50 11.367 8.904 -1.404 1.00 21.55 H new ATOM 0 HA SER A 50 11.038 11.093 0.403 1.00 21.14 H new ATOM 0 HB2 SER A 50 9.191 9.425 -1.398 1.00 15.42 H new ATOM 0 HB3 SER A 50 8.729 10.943 -0.654 1.00 15.42 H new ATOM 0 HG SER A 50 9.563 11.239 -2.809 1.00 54.43 H new ATOM 784 N PRO A 51 9.261 10.354 2.145 1.00 11.11 N ATOM 785 CA PRO A 51 8.624 9.907 3.379 1.00 24.23 C ATOM 786 C PRO A 51 7.534 8.859 3.146 1.00 4.40 C ATOM 787 O PRO A 51 7.351 7.991 3.999 1.00 63.43 O ATOM 788 CB PRO A 51 8.055 11.167 4.050 1.00 33.55 C ATOM 789 CG PRO A 51 8.007 12.206 2.932 1.00 74.04 C ATOM 790 CD PRO A 51 9.146 11.796 2.016 1.00 22.14 C ATOM 0 HA PRO A 51 9.355 9.408 4.015 1.00 24.23 H new ATOM 0 HB2 PRO A 51 7.064 10.983 4.464 1.00 33.55 H new ATOM 0 HB3 PRO A 51 8.688 11.499 4.873 1.00 33.55 H new ATOM 0 HG2 PRO A 51 7.049 12.192 2.412 1.00 74.04 H new ATOM 0 HG3 PRO A 51 8.146 13.216 3.317 1.00 74.04 H new ATOM 0 HD2 PRO A 51 8.939 12.081 0.984 1.00 22.14 H new ATOM 0 HD3 PRO A 51 10.075 12.289 2.303 1.00 22.14 H new ATOM 798 N TYR A 52 6.809 8.933 2.027 1.00 71.34 N ATOM 799 CA TYR A 52 5.505 8.292 1.889 1.00 62.44 C ATOM 800 C TYR A 52 5.574 6.846 1.391 1.00 72.13 C ATOM 801 O TYR A 52 4.550 6.315 0.961 1.00 42.54 O ATOM 802 CB TYR A 52 4.602 9.144 0.976 1.00 14.24 C ATOM 803 CG TYR A 52 4.559 10.636 1.250 1.00 32.11 C ATOM 804 CD1 TYR A 52 4.297 11.129 2.543 1.00 14.01 C ATOM 805 CD2 TYR A 52 4.761 11.538 0.187 1.00 71.42 C ATOM 806 CE1 TYR A 52 4.236 12.514 2.770 1.00 52.30 C ATOM 807 CE2 TYR A 52 4.694 12.922 0.408 1.00 22.01 C ATOM 808 CZ TYR A 52 4.433 13.419 1.703 1.00 74.44 C ATOM 809 OH TYR A 52 4.358 14.759 1.919 1.00 63.42 O ATOM 0 H TYR A 52 7.111 9.439 1.194 1.00 71.34 H new ATOM 0 HA TYR A 52 5.077 8.234 2.890 1.00 62.44 H new ATOM 0 HB2 TYR A 52 4.927 8.998 -0.054 1.00 14.24 H new ATOM 0 HB3 TYR A 52 3.586 8.757 1.048 1.00 14.24 H new ATOM 0 HD1 TYR A 52 4.143 10.441 3.361 1.00 14.01 H new ATOM 0 HD2 TYR A 52 4.969 11.162 -0.804 1.00 71.42 H new ATOM 0 HE1 TYR A 52 4.038 12.888 3.763 1.00 52.30 H new ATOM 0 HE2 TYR A 52 4.842 13.607 -0.413 1.00 22.01 H new ATOM 0 HH TYR A 52 4.520 15.235 1.078 1.00 63.42 H new ATOM 819 N LEU A 53 6.757 6.225 1.364 1.00 50.01 N ATOM 820 CA LEU A 53 7.006 4.970 0.659 1.00 55.01 C ATOM 821 C LEU A 53 8.183 4.261 1.330 1.00 62.42 C ATOM 822 O LEU A 53 9.328 4.640 1.078 1.00 41.33 O ATOM 823 CB LEU A 53 7.303 5.296 -0.823 1.00 24.52 C ATOM 824 CG LEU A 53 6.171 4.905 -1.789 1.00 20.55 C ATOM 825 CD1 LEU A 53 6.461 5.451 -3.189 1.00 44.45 C ATOM 826 CD2 LEU A 53 6.022 3.393 -1.910 1.00 70.42 C ATOM 0 H LEU A 53 7.582 6.589 1.841 1.00 50.01 H new ATOM 0 HA LEU A 53 6.141 4.308 0.699 1.00 55.01 H new ATOM 0 HB2 LEU A 53 7.495 6.365 -0.918 1.00 24.52 H new ATOM 0 HB3 LEU A 53 8.216 4.781 -1.122 1.00 24.52 H new ATOM 0 HG LEU A 53 5.252 5.328 -1.382 1.00 20.55 H new ATOM 0 HD11 LEU A 53 5.653 5.168 -3.864 1.00 44.45 H new ATOM 0 HD12 LEU A 53 6.536 6.538 -3.147 1.00 44.45 H new ATOM 0 HD13 LEU A 53 7.401 5.036 -3.554 1.00 44.45 H new ATOM 0 HD21 LEU A 53 5.212 3.161 -2.601 1.00 70.42 H new ATOM 0 HD22 LEU A 53 6.952 2.965 -2.284 1.00 70.42 H new ATOM 0 HD23 LEU A 53 5.796 2.970 -0.931 1.00 70.42 H new ATOM 838 N LYS A 54 7.932 3.287 2.219 1.00 63.10 N ATOM 839 CA LYS A 54 8.999 2.652 3.012 1.00 15.32 C ATOM 840 C LYS A 54 8.813 1.136 3.149 1.00 40.33 C ATOM 841 O LYS A 54 7.675 0.664 3.225 1.00 31.32 O ATOM 842 CB LYS A 54 9.094 3.292 4.411 1.00 4.04 C ATOM 843 CG LYS A 54 9.451 4.788 4.362 1.00 2.35 C ATOM 844 CD LYS A 54 10.163 5.337 5.606 1.00 61.13 C ATOM 845 CE LYS A 54 9.450 5.108 6.948 1.00 21.11 C ATOM 846 NZ LYS A 54 9.955 3.922 7.679 1.00 74.34 N ATOM 0 H LYS A 54 6.999 2.921 2.408 1.00 63.10 H new ATOM 0 HA LYS A 54 9.928 2.821 2.468 1.00 15.32 H new ATOM 0 HB2 LYS A 54 8.142 3.167 4.927 1.00 4.04 H new ATOM 0 HB3 LYS A 54 9.846 2.763 4.997 1.00 4.04 H new ATOM 0 HG2 LYS A 54 10.086 4.964 3.494 1.00 2.35 H new ATOM 0 HG3 LYS A 54 8.535 5.358 4.208 1.00 2.35 H new ATOM 0 HD2 LYS A 54 11.153 4.885 5.662 1.00 61.13 H new ATOM 0 HD3 LYS A 54 10.309 6.409 5.473 1.00 61.13 H new ATOM 0 HE2 LYS A 54 9.573 5.992 7.573 1.00 21.11 H new ATOM 0 HE3 LYS A 54 8.381 4.990 6.769 1.00 21.11 H new ATOM 0 HZ1 LYS A 54 9.497 3.868 8.611 1.00 74.34 H new ATOM 0 HZ2 LYS A 54 9.738 3.062 7.136 1.00 74.34 H new ATOM 0 HZ3 LYS A 54 10.984 4.003 7.803 1.00 74.34 H new ATOM 860 N PRO A 55 9.901 0.353 3.243 1.00 50.30 N ATOM 861 CA PRO A 55 9.844 -1.088 3.464 1.00 43.54 C ATOM 862 C PRO A 55 9.444 -1.409 4.904 1.00 34.05 C ATOM 863 O PRO A 55 9.505 -0.550 5.793 1.00 34.20 O ATOM 864 CB PRO A 55 11.266 -1.590 3.185 1.00 41.23 C ATOM 865 CG PRO A 55 12.131 -0.400 3.585 1.00 62.22 C ATOM 866 CD PRO A 55 11.284 0.788 3.143 1.00 22.34 C ATOM 0 HA PRO A 55 9.101 -1.563 2.823 1.00 43.54 H new ATOM 0 HB2 PRO A 55 11.504 -2.478 3.771 1.00 41.23 H new ATOM 0 HB3 PRO A 55 11.403 -1.855 2.137 1.00 41.23 H new ATOM 0 HG2 PRO A 55 12.326 -0.383 4.657 1.00 62.22 H new ATOM 0 HG3 PRO A 55 13.099 -0.416 3.085 1.00 62.22 H new ATOM 0 HD2 PRO A 55 11.467 1.655 3.777 1.00 22.34 H new ATOM 0 HD3 PRO A 55 11.528 1.083 2.122 1.00 22.34 H new ATOM 874 N ARG A 56 9.104 -2.674 5.143 1.00 23.22 N ATOM 875 CA ARG A 56 8.924 -3.306 6.452 1.00 71.25 C ATOM 876 C ARG A 56 9.578 -4.691 6.392 1.00 11.05 C ATOM 877 O ARG A 56 10.435 -4.950 5.549 1.00 44.35 O ATOM 878 CB ARG A 56 7.423 -3.328 6.817 1.00 12.03 C ATOM 879 CG ARG A 56 7.030 -2.062 7.593 1.00 24.42 C ATOM 880 CD ARG A 56 5.514 -1.982 7.720 1.00 3.15 C ATOM 881 NE ARG A 56 5.080 -0.878 8.592 1.00 32.52 N ATOM 882 CZ ARG A 56 4.587 -0.980 9.830 1.00 2.32 C ATOM 883 NH1 ARG A 56 4.600 -2.123 10.501 1.00 61.12 N ATOM 884 NH2 ARG A 56 4.084 0.086 10.429 1.00 30.33 N ATOM 0 H ARG A 56 8.936 -3.329 4.379 1.00 23.22 H new ATOM 0 HA ARG A 56 9.409 -2.747 7.252 1.00 71.25 H new ATOM 0 HB2 ARG A 56 6.825 -3.403 5.909 1.00 12.03 H new ATOM 0 HB3 ARG A 56 7.203 -4.211 7.418 1.00 12.03 H new ATOM 0 HG2 ARG A 56 7.486 -2.075 8.583 1.00 24.42 H new ATOM 0 HG3 ARG A 56 7.408 -1.178 7.079 1.00 24.42 H new ATOM 0 HD2 ARG A 56 5.076 -1.853 6.730 1.00 3.15 H new ATOM 0 HD3 ARG A 56 5.135 -2.924 8.116 1.00 3.15 H new ATOM 0 HE ARG A 56 5.165 0.064 8.211 1.00 32.52 H new ATOM 0 HH11 ARG A 56 4.995 -2.961 10.074 1.00 61.12 H new ATOM 0 HH12 ARG A 56 4.215 -2.165 11.445 1.00 61.12 H new ATOM 0 HH21 ARG A 56 4.073 0.984 9.946 1.00 30.33 H new ATOM 0 HH22 ARG A 56 3.707 0.010 11.374 1.00 30.33 H new ATOM 898 N VAL A 57 9.254 -5.550 7.351 1.00 63.10 N ATOM 899 CA VAL A 57 9.032 -6.971 7.128 1.00 25.12 C ATOM 900 C VAL A 57 7.683 -7.246 7.798 1.00 40.02 C ATOM 901 O VAL A 57 7.425 -6.679 8.867 1.00 15.00 O ATOM 902 CB VAL A 57 10.166 -7.825 7.741 1.00 43.15 C ATOM 903 CG1 VAL A 57 9.967 -9.319 7.465 1.00 62.10 C ATOM 904 CG2 VAL A 57 11.555 -7.421 7.231 1.00 52.04 C ATOM 0 H VAL A 57 9.136 -5.271 8.325 1.00 63.10 H new ATOM 0 HA VAL A 57 9.027 -7.233 6.070 1.00 25.12 H new ATOM 0 HB VAL A 57 10.116 -7.637 8.814 1.00 43.15 H new ATOM 0 HG11 VAL A 57 10.785 -9.884 7.912 1.00 62.10 H new ATOM 0 HG12 VAL A 57 9.021 -9.646 7.897 1.00 62.10 H new ATOM 0 HG13 VAL A 57 9.953 -9.491 6.389 1.00 62.10 H new ATOM 0 HG21 VAL A 57 12.311 -8.054 7.695 1.00 52.04 H new ATOM 0 HG22 VAL A 57 11.595 -7.542 6.149 1.00 52.04 H new ATOM 0 HG23 VAL A 57 11.748 -6.379 7.487 1.00 52.04 H new ATOM 914 N ILE A 58 6.842 -8.095 7.206 1.00 34.44 N ATOM 915 CA ILE A 58 5.658 -8.664 7.853 1.00 21.11 C ATOM 916 C ILE A 58 5.690 -10.140 7.484 1.00 1.02 C ATOM 917 O ILE A 58 5.749 -10.472 6.307 1.00 62.21 O ATOM 918 CB ILE A 58 4.346 -7.970 7.404 1.00 0.12 C ATOM 919 CG1 ILE A 58 4.396 -6.462 7.754 1.00 74.34 C ATOM 920 CG2 ILE A 58 3.132 -8.655 8.066 1.00 34.04 C ATOM 921 CD1 ILE A 58 3.085 -5.702 7.538 1.00 71.51 C ATOM 0 H ILE A 58 6.967 -8.413 6.245 1.00 34.44 H new ATOM 0 HA ILE A 58 5.676 -8.516 8.933 1.00 21.11 H new ATOM 0 HB ILE A 58 4.241 -8.064 6.323 1.00 0.12 H new ATOM 0 HG12 ILE A 58 4.691 -6.357 8.798 1.00 74.34 H new ATOM 0 HG13 ILE A 58 5.174 -5.991 7.154 1.00 74.34 H new ATOM 0 HG21 ILE A 58 2.215 -8.161 7.745 1.00 34.04 H new ATOM 0 HG22 ILE A 58 3.101 -9.704 7.772 1.00 34.04 H new ATOM 0 HG23 ILE A 58 3.221 -8.585 9.150 1.00 34.04 H new ATOM 0 HD11 ILE A 58 3.222 -4.656 7.811 1.00 71.51 H new ATOM 0 HD12 ILE A 58 2.794 -5.769 6.490 1.00 71.51 H new ATOM 0 HD13 ILE A 58 2.304 -6.140 8.160 1.00 71.51 H new ATOM 933 N GLU A 59 5.734 -11.037 8.466 1.00 1.31 N ATOM 934 CA GLU A 59 5.710 -12.496 8.273 1.00 43.11 C ATOM 935 C GLU A 59 6.875 -13.016 7.400 1.00 25.04 C ATOM 936 O GLU A 59 6.892 -14.171 6.984 1.00 3.22 O ATOM 937 CB GLU A 59 4.313 -12.923 7.783 1.00 61.31 C ATOM 938 CG GLU A 59 3.250 -12.670 8.867 1.00 4.45 C ATOM 939 CD GLU A 59 1.803 -12.702 8.368 1.00 1.13 C ATOM 940 OE1 GLU A 59 1.542 -12.733 7.143 1.00 65.54 O ATOM 941 OE2 GLU A 59 0.901 -12.547 9.218 1.00 54.40 O ATOM 0 H GLU A 59 5.789 -10.768 9.448 1.00 1.31 H new ATOM 0 HA GLU A 59 5.885 -12.979 9.234 1.00 43.11 H new ATOM 0 HB2 GLU A 59 4.055 -12.370 6.879 1.00 61.31 H new ATOM 0 HB3 GLU A 59 4.324 -13.980 7.518 1.00 61.31 H new ATOM 0 HG2 GLU A 59 3.366 -13.418 9.651 1.00 4.45 H new ATOM 0 HG3 GLU A 59 3.441 -11.699 9.323 1.00 4.45 H new ATOM 948 N GLY A 60 7.890 -12.183 7.157 1.00 45.12 N ATOM 949 CA GLY A 60 9.055 -12.474 6.322 1.00 1.34 C ATOM 950 C GLY A 60 8.975 -11.803 4.947 1.00 72.14 C ATOM 951 O GLY A 60 9.994 -11.667 4.265 1.00 51.22 O ATOM 0 H GLY A 60 7.922 -11.245 7.556 1.00 45.12 H new ATOM 0 HA2 GLY A 60 9.957 -12.139 6.834 1.00 1.34 H new ATOM 0 HA3 GLY A 60 9.144 -13.553 6.192 1.00 1.34 H new ATOM 955 N VAL A 61 7.798 -11.325 4.537 1.00 43.11 N ATOM 956 CA VAL A 61 7.625 -10.690 3.242 1.00 63.02 C ATOM 957 C VAL A 61 8.257 -9.296 3.335 1.00 71.41 C ATOM 958 O VAL A 61 8.282 -8.706 4.419 1.00 73.35 O ATOM 959 CB VAL A 61 6.132 -10.681 2.870 1.00 51.32 C ATOM 960 CG1 VAL A 61 5.362 -9.481 3.405 1.00 62.32 C ATOM 961 CG2 VAL A 61 5.913 -10.825 1.362 1.00 41.42 C ATOM 0 H VAL A 61 6.946 -11.370 5.095 1.00 43.11 H new ATOM 0 HA VAL A 61 8.122 -11.231 2.437 1.00 63.02 H new ATOM 0 HB VAL A 61 5.722 -11.558 3.370 1.00 51.32 H new ATOM 0 HG11 VAL A 61 4.319 -9.552 3.098 1.00 62.32 H new ATOM 0 HG12 VAL A 61 5.420 -9.467 4.493 1.00 62.32 H new ATOM 0 HG13 VAL A 61 5.796 -8.564 3.007 1.00 62.32 H new ATOM 0 HG21 VAL A 61 4.845 -10.813 1.147 1.00 41.42 H new ATOM 0 HG22 VAL A 61 6.397 -9.997 0.843 1.00 41.42 H new ATOM 0 HG23 VAL A 61 6.342 -11.767 1.020 1.00 41.42 H new ATOM 971 N ARG A 62 8.724 -8.756 2.205 1.00 50.23 N ATOM 972 CA ARG A 62 9.325 -7.425 2.174 1.00 32.10 C ATOM 973 C ARG A 62 8.288 -6.377 2.607 1.00 64.20 C ATOM 974 O ARG A 62 8.517 -5.642 3.562 1.00 15.51 O ATOM 975 CB ARG A 62 9.932 -7.096 0.796 1.00 23.14 C ATOM 976 CG ARG A 62 11.067 -7.982 0.233 1.00 52.33 C ATOM 977 CD ARG A 62 10.626 -9.210 -0.574 1.00 2.24 C ATOM 978 NE ARG A 62 10.375 -10.396 0.259 1.00 20.15 N ATOM 979 CZ ARG A 62 9.991 -11.586 -0.223 1.00 22.24 C ATOM 980 NH1 ARG A 62 9.570 -11.729 -1.477 1.00 71.12 N ATOM 981 NH2 ARG A 62 9.998 -12.652 0.559 1.00 63.23 N ATOM 0 H ARG A 62 8.696 -9.224 1.299 1.00 50.23 H new ATOM 0 HA ARG A 62 10.154 -7.406 2.882 1.00 32.10 H new ATOM 0 HB2 ARG A 62 9.119 -7.106 0.070 1.00 23.14 H new ATOM 0 HB3 ARG A 62 10.307 -6.074 0.840 1.00 23.14 H new ATOM 0 HG2 ARG A 62 11.702 -7.364 -0.402 1.00 52.33 H new ATOM 0 HG3 ARG A 62 11.683 -8.322 1.066 1.00 52.33 H new ATOM 0 HD2 ARG A 62 9.720 -8.965 -1.128 1.00 2.24 H new ATOM 0 HD3 ARG A 62 11.395 -9.448 -1.310 1.00 2.24 H new ATOM 0 HE ARG A 62 10.501 -10.307 1.267 1.00 20.15 H new ATOM 0 HH11 ARG A 62 9.534 -10.921 -2.098 1.00 71.12 H new ATOM 0 HH12 ARG A 62 9.284 -12.647 -1.817 1.00 71.12 H new ATOM 0 HH21 ARG A 62 10.296 -12.570 1.531 1.00 63.23 H new ATOM 0 HH22 ARG A 62 9.705 -13.557 0.190 1.00 63.23 H new ATOM 995 N CYS A 63 7.115 -6.378 1.954 1.00 23.22 N ATOM 996 CA CYS A 63 6.030 -5.399 2.116 1.00 61.52 C ATOM 997 C CYS A 63 6.474 -3.970 1.742 1.00 43.12 C ATOM 998 O CYS A 63 7.660 -3.645 1.750 1.00 1.14 O ATOM 999 CB CYS A 63 5.462 -5.440 3.550 1.00 71.41 C ATOM 1000 SG CYS A 63 3.989 -6.445 3.786 1.00 0.44 S ATOM 0 H CYS A 63 6.887 -7.096 1.266 1.00 23.22 H new ATOM 0 HA CYS A 63 5.238 -5.681 1.422 1.00 61.52 H new ATOM 0 HB2 CYS A 63 6.241 -5.809 4.217 1.00 71.41 H new ATOM 0 HB3 CYS A 63 5.235 -4.420 3.859 1.00 71.41 H new ATOM 0 HG CYS A 63 2.972 -5.864 3.221 1.00 0.44 H new ATOM 1006 N LEU A 64 5.517 -3.100 1.403 1.00 64.00 N ATOM 1007 CA LEU A 64 5.784 -1.728 0.971 1.00 5.01 C ATOM 1008 C LEU A 64 4.680 -0.814 1.507 1.00 75.22 C ATOM 1009 O LEU A 64 3.525 -0.967 1.120 1.00 14.42 O ATOM 1010 CB LEU A 64 5.881 -1.689 -0.565 1.00 61.25 C ATOM 1011 CG LEU A 64 6.716 -0.551 -1.200 1.00 24.32 C ATOM 1012 CD1 LEU A 64 5.918 0.095 -2.326 1.00 60.10 C ATOM 1013 CD2 LEU A 64 7.262 0.537 -0.263 1.00 14.04 C ATOM 0 H LEU A 64 4.524 -3.333 1.422 1.00 64.00 H new ATOM 0 HA LEU A 64 6.734 -1.372 1.369 1.00 5.01 H new ATOM 0 HB2 LEU A 64 6.298 -2.639 -0.900 1.00 61.25 H new ATOM 0 HB3 LEU A 64 4.869 -1.626 -0.964 1.00 61.25 H new ATOM 0 HG LEU A 64 7.614 -1.055 -1.557 1.00 24.32 H new ATOM 0 HD11 LEU A 64 6.505 0.897 -2.774 1.00 60.10 H new ATOM 0 HD12 LEU A 64 5.687 -0.653 -3.084 1.00 60.10 H new ATOM 0 HD13 LEU A 64 4.990 0.504 -1.926 1.00 60.10 H new ATOM 0 HD21 LEU A 64 7.826 1.267 -0.843 1.00 14.04 H new ATOM 0 HD22 LEU A 64 6.432 1.035 0.239 1.00 14.04 H new ATOM 0 HD23 LEU A 64 7.916 0.082 0.481 1.00 14.04 H new ATOM 1025 N ALA A 65 5.001 0.056 2.466 1.00 73.54 N ATOM 1026 CA ALA A 65 4.056 0.986 3.086 1.00 53.13 C ATOM 1027 C ALA A 65 3.777 2.144 2.117 1.00 23.02 C ATOM 1028 O ALA A 65 4.696 2.527 1.389 1.00 33.12 O ATOM 1029 CB ALA A 65 4.660 1.555 4.370 1.00 35.30 C ATOM 0 H ALA A 65 5.946 0.135 2.841 1.00 73.54 H new ATOM 0 HA ALA A 65 3.131 0.457 3.317 1.00 53.13 H new ATOM 0 HB1 ALA A 65 3.954 2.247 4.829 1.00 35.30 H new ATOM 0 HB2 ALA A 65 4.873 0.741 5.063 1.00 35.30 H new ATOM 0 HB3 ALA A 65 5.584 2.083 4.135 1.00 35.30 H new ATOM 1035 N VAL A 66 2.584 2.748 2.153 1.00 62.21 N ATOM 1036 CA VAL A 66 2.245 3.946 1.378 1.00 61.33 C ATOM 1037 C VAL A 66 1.462 4.895 2.307 1.00 71.54 C ATOM 1038 O VAL A 66 0.337 4.577 2.698 1.00 22.31 O ATOM 1039 CB VAL A 66 1.481 3.629 0.074 1.00 21.14 C ATOM 1040 CG1 VAL A 66 1.613 4.814 -0.897 1.00 44.24 C ATOM 1041 CG2 VAL A 66 2.022 2.389 -0.647 1.00 12.32 C ATOM 0 H VAL A 66 1.814 2.412 2.732 1.00 62.21 H new ATOM 0 HA VAL A 66 3.161 4.429 1.038 1.00 61.33 H new ATOM 0 HB VAL A 66 0.445 3.444 0.359 1.00 21.14 H new ATOM 0 HG11 VAL A 66 1.074 4.591 -1.818 1.00 44.24 H new ATOM 0 HG12 VAL A 66 1.193 5.709 -0.438 1.00 44.24 H new ATOM 0 HG13 VAL A 66 2.666 4.983 -1.124 1.00 44.24 H new ATOM 0 HG21 VAL A 66 1.446 2.216 -1.556 1.00 12.32 H new ATOM 0 HG22 VAL A 66 3.069 2.546 -0.906 1.00 12.32 H new ATOM 0 HG23 VAL A 66 1.936 1.521 0.007 1.00 12.32 H new ATOM 1051 N ASP A 67 2.069 6.014 2.712 1.00 32.15 N ATOM 1052 CA ASP A 67 1.450 7.050 3.577 1.00 61.55 C ATOM 1053 C ASP A 67 0.343 7.750 2.783 1.00 45.32 C ATOM 1054 O ASP A 67 0.574 8.134 1.631 1.00 64.05 O ATOM 1055 CB ASP A 67 2.507 8.076 4.039 1.00 13.01 C ATOM 1056 CG ASP A 67 2.036 9.172 5.014 1.00 23.42 C ATOM 1057 OD1 ASP A 67 0.883 9.663 4.898 1.00 65.33 O ATOM 1058 OD2 ASP A 67 2.860 9.662 5.813 1.00 51.10 O ATOM 0 H ASP A 67 3.028 6.240 2.447 1.00 32.15 H new ATOM 0 HA ASP A 67 1.030 6.580 4.466 1.00 61.55 H new ATOM 0 HB2 ASP A 67 3.325 7.531 4.511 1.00 13.01 H new ATOM 0 HB3 ASP A 67 2.917 8.563 3.154 1.00 13.01 H new ATOM 1063 N LEU A 68 -0.852 7.917 3.363 1.00 72.42 N ATOM 1064 CA LEU A 68 -2.031 8.494 2.706 1.00 51.44 C ATOM 1065 C LEU A 68 -1.853 9.969 2.319 1.00 22.44 C ATOM 1066 O LEU A 68 -2.643 10.510 1.542 1.00 34.13 O ATOM 1067 CB LEU A 68 -3.308 8.325 3.556 1.00 62.34 C ATOM 1068 CG LEU A 68 -4.311 7.308 2.993 1.00 73.45 C ATOM 1069 CD1 LEU A 68 -5.590 7.256 3.829 1.00 61.41 C ATOM 1070 CD2 LEU A 68 -4.731 7.475 1.517 1.00 61.42 C ATOM 0 H LEU A 68 -1.030 7.647 4.330 1.00 72.42 H new ATOM 0 HA LEU A 68 -2.145 7.927 1.782 1.00 51.44 H new ATOM 0 HB2 LEU A 68 -3.023 8.018 4.562 1.00 62.34 H new ATOM 0 HB3 LEU A 68 -3.801 9.293 3.646 1.00 62.34 H new ATOM 0 HG LEU A 68 -3.739 6.382 3.047 1.00 73.45 H new ATOM 0 HD11 LEU A 68 -6.276 6.525 3.400 1.00 61.41 H new ATOM 0 HD12 LEU A 68 -5.345 6.967 4.851 1.00 61.41 H new ATOM 0 HD13 LEU A 68 -6.062 8.238 3.833 1.00 61.41 H new ATOM 0 HD21 LEU A 68 -5.441 6.692 1.250 1.00 61.42 H new ATOM 0 HD22 LEU A 68 -5.198 8.450 1.380 1.00 61.42 H new ATOM 0 HD23 LEU A 68 -3.851 7.400 0.878 1.00 61.42 H new ATOM 1082 N LYS A 69 -0.821 10.635 2.839 1.00 5.54 N ATOM 1083 CA LYS A 69 -0.542 12.040 2.538 1.00 60.42 C ATOM 1084 C LYS A 69 -0.189 12.208 1.072 1.00 3.13 C ATOM 1085 O LYS A 69 -0.538 13.237 0.513 1.00 72.34 O ATOM 1086 CB LYS A 69 0.587 12.580 3.429 1.00 51.33 C ATOM 1087 CG LYS A 69 0.584 14.103 3.672 1.00 33.02 C ATOM 1088 CD LYS A 69 1.072 15.038 2.551 1.00 2.11 C ATOM 1089 CE LYS A 69 -0.071 15.868 1.952 1.00 65.53 C ATOM 1090 NZ LYS A 69 -0.463 17.063 2.735 1.00 51.21 N ATOM 0 H LYS A 69 -0.152 10.213 3.484 1.00 5.54 H new ATOM 0 HA LYS A 69 -1.443 12.617 2.747 1.00 60.42 H new ATOM 0 HB2 LYS A 69 0.533 12.078 4.395 1.00 51.33 H new ATOM 0 HB3 LYS A 69 1.541 12.305 2.979 1.00 51.33 H new ATOM 0 HG2 LYS A 69 -0.436 14.394 3.923 1.00 33.02 H new ATOM 0 HG3 LYS A 69 1.197 14.297 4.552 1.00 33.02 H new ATOM 0 HD2 LYS A 69 1.837 15.707 2.945 1.00 2.11 H new ATOM 0 HD3 LYS A 69 1.540 14.446 1.764 1.00 2.11 H new ATOM 0 HE2 LYS A 69 0.220 16.189 0.952 1.00 65.53 H new ATOM 0 HE3 LYS A 69 -0.944 15.225 1.839 1.00 65.53 H new ATOM 0 HZ1 LYS A 69 -1.422 17.359 2.461 1.00 51.21 H new ATOM 0 HZ2 LYS A 69 -0.449 16.834 3.749 1.00 51.21 H new ATOM 0 HZ3 LYS A 69 0.206 17.837 2.546 1.00 51.21 H new ATOM 1104 N LEU A 70 0.466 11.237 0.426 1.00 11.22 N ATOM 1105 CA LEU A 70 0.761 11.347 -1.004 1.00 33.10 C ATOM 1106 C LEU A 70 -0.529 11.593 -1.779 1.00 73.52 C ATOM 1107 O LEU A 70 -0.545 12.442 -2.666 1.00 53.35 O ATOM 1108 CB LEU A 70 1.509 10.108 -1.539 1.00 41.14 C ATOM 1109 CG LEU A 70 1.699 10.048 -3.079 1.00 30.23 C ATOM 1110 CD1 LEU A 70 0.434 9.905 -3.914 1.00 62.24 C ATOM 1111 CD2 LEU A 70 2.571 11.191 -3.571 1.00 70.21 C ATOM 0 H LEU A 70 0.797 10.378 0.865 1.00 11.22 H new ATOM 0 HA LEU A 70 1.428 12.197 -1.148 1.00 33.10 H new ATOM 0 HB2 LEU A 70 2.491 10.069 -1.069 1.00 41.14 H new ATOM 0 HB3 LEU A 70 0.968 9.216 -1.223 1.00 41.14 H new ATOM 0 HG LEU A 70 2.214 9.101 -3.241 1.00 30.23 H new ATOM 0 HD11 LEU A 70 0.697 9.875 -4.971 1.00 62.24 H new ATOM 0 HD12 LEU A 70 -0.080 8.983 -3.641 1.00 62.24 H new ATOM 0 HD13 LEU A 70 -0.223 10.755 -3.728 1.00 62.24 H new ATOM 0 HD21 LEU A 70 2.686 11.122 -4.653 1.00 70.21 H new ATOM 0 HD22 LEU A 70 2.103 12.142 -3.316 1.00 70.21 H new ATOM 0 HD23 LEU A 70 3.551 11.131 -3.098 1.00 70.21 H new ATOM 1123 N LYS A 71 -1.612 10.868 -1.486 1.00 73.54 N ATOM 1124 CA LYS A 71 -2.837 10.910 -2.298 1.00 64.32 C ATOM 1125 C LYS A 71 -3.503 12.309 -2.200 1.00 23.33 C ATOM 1126 O LYS A 71 -4.449 12.617 -2.914 1.00 64.12 O ATOM 1127 CB LYS A 71 -3.749 9.742 -1.861 1.00 1.31 C ATOM 1128 CG LYS A 71 -5.017 9.488 -2.707 1.00 64.20 C ATOM 1129 CD LYS A 71 -4.833 8.696 -4.013 1.00 54.11 C ATOM 1130 CE LYS A 71 -6.144 8.435 -4.790 1.00 63.32 C ATOM 1131 NZ LYS A 71 -6.747 9.614 -5.459 1.00 3.44 N ATOM 0 H LYS A 71 -1.667 10.239 -0.685 1.00 73.54 H new ATOM 0 HA LYS A 71 -2.618 10.773 -3.357 1.00 64.32 H new ATOM 0 HB2 LYS A 71 -3.154 8.829 -1.861 1.00 1.31 H new ATOM 0 HB3 LYS A 71 -4.059 9.921 -0.831 1.00 1.31 H new ATOM 0 HG2 LYS A 71 -5.739 8.957 -2.086 1.00 64.20 H new ATOM 0 HG3 LYS A 71 -5.459 10.453 -2.954 1.00 64.20 H new ATOM 0 HD2 LYS A 71 -4.144 9.239 -4.659 1.00 54.11 H new ATOM 0 HD3 LYS A 71 -4.365 7.739 -3.781 1.00 54.11 H new ATOM 0 HE2 LYS A 71 -5.951 7.673 -5.545 1.00 63.32 H new ATOM 0 HE3 LYS A 71 -6.877 8.020 -4.098 1.00 63.32 H new ATOM 0 HZ1 LYS A 71 -7.784 9.532 -5.439 1.00 3.44 H new ATOM 0 HZ2 LYS A 71 -6.459 10.481 -4.962 1.00 3.44 H new ATOM 0 HZ3 LYS A 71 -6.422 9.657 -6.446 1.00 3.44 H new ATOM 1145 N ASP A 72 -3.009 13.170 -1.312 1.00 70.20 N ATOM 1146 CA ASP A 72 -3.385 14.580 -1.114 1.00 30.12 C ATOM 1147 C ASP A 72 -2.641 15.515 -2.079 1.00 63.21 C ATOM 1148 O ASP A 72 -3.042 16.665 -2.251 1.00 73.44 O ATOM 1149 CB ASP A 72 -2.980 14.949 0.318 1.00 50.21 C ATOM 1150 CG ASP A 72 -3.709 16.112 0.993 1.00 20.10 C ATOM 1151 OD1 ASP A 72 -4.886 15.954 1.369 1.00 22.31 O ATOM 1152 OD2 ASP A 72 -3.026 17.116 1.335 1.00 2.14 O ATOM 0 H ASP A 72 -2.279 12.884 -0.659 1.00 70.20 H new ATOM 0 HA ASP A 72 -4.453 14.695 -1.296 1.00 30.12 H new ATOM 0 HB2 ASP A 72 -3.113 14.065 0.941 1.00 50.21 H new ATOM 0 HB3 ASP A 72 -1.915 15.179 0.315 1.00 50.21 H new ATOM 1157 N THR A 73 -1.542 15.050 -2.683 1.00 22.44 N ATOM 1158 CA THR A 73 -0.544 15.848 -3.405 1.00 23.52 C ATOM 1159 C THR A 73 -0.257 15.287 -4.815 1.00 21.22 C ATOM 1160 O THR A 73 -0.454 16.025 -5.786 1.00 73.22 O ATOM 1161 CB THR A 73 0.706 16.059 -2.509 1.00 35.12 C ATOM 1162 OG1 THR A 73 1.741 16.763 -3.158 1.00 53.21 O ATOM 1163 CG2 THR A 73 1.343 14.801 -1.930 1.00 51.31 C ATOM 0 H THR A 73 -1.313 14.056 -2.682 1.00 22.44 H new ATOM 0 HA THR A 73 -0.945 16.841 -3.606 1.00 23.52 H new ATOM 0 HB THR A 73 0.274 16.634 -1.690 1.00 35.12 H new ATOM 0 HG1 THR A 73 2.499 16.867 -2.546 1.00 53.21 H new ATOM 0 HG21 THR A 73 2.206 15.076 -1.323 1.00 51.31 H new ATOM 0 HG22 THR A 73 0.616 14.277 -1.310 1.00 51.31 H new ATOM 0 HG23 THR A 73 1.664 14.149 -2.742 1.00 51.31 H new ATOM 1171 N ASN A 74 0.157 14.017 -4.984 1.00 30.04 N ATOM 1172 CA ASN A 74 0.477 13.456 -6.320 1.00 55.12 C ATOM 1173 C ASN A 74 -0.248 12.126 -6.546 1.00 21.51 C ATOM 1174 O ASN A 74 0.386 11.081 -6.719 1.00 53.30 O ATOM 1175 CB ASN A 74 1.998 13.246 -6.480 1.00 15.34 C ATOM 1176 CG ASN A 74 2.374 13.068 -7.952 1.00 50.13 C ATOM 1177 OD1 ASN A 74 2.034 13.898 -8.788 1.00 22.31 O ATOM 1178 ND2 ASN A 74 3.058 11.994 -8.314 1.00 65.20 N ATOM 0 H ASN A 74 0.279 13.357 -4.216 1.00 30.04 H new ATOM 0 HA ASN A 74 0.137 14.175 -7.065 1.00 55.12 H new ATOM 0 HB2 ASN A 74 2.533 14.101 -6.065 1.00 15.34 H new ATOM 0 HB3 ASN A 74 2.310 12.369 -5.913 1.00 15.34 H new ATOM 0 HD21 ASN A 74 3.305 11.853 -9.293 1.00 65.20 H new ATOM 0 HD22 ASN A 74 3.338 11.307 -7.613 1.00 65.20 H new ATOM 1185 N PRO A 75 -1.585 12.103 -6.571 1.00 14.14 N ATOM 1186 CA PRO A 75 -2.319 10.864 -6.317 1.00 53.55 C ATOM 1187 C PRO A 75 -2.240 9.861 -7.471 1.00 1.11 C ATOM 1188 O PRO A 75 -2.514 8.677 -7.271 1.00 4.23 O ATOM 1189 CB PRO A 75 -3.767 11.328 -6.117 1.00 64.42 C ATOM 1190 CG PRO A 75 -3.858 12.672 -6.839 1.00 72.20 C ATOM 1191 CD PRO A 75 -2.474 13.253 -6.595 1.00 40.02 C ATOM 0 HA PRO A 75 -1.900 10.333 -5.462 1.00 53.55 H new ATOM 0 HB2 PRO A 75 -4.472 10.609 -6.533 1.00 64.42 H new ATOM 0 HB3 PRO A 75 -4.005 11.432 -5.058 1.00 64.42 H new ATOM 0 HG2 PRO A 75 -4.069 12.551 -7.902 1.00 72.20 H new ATOM 0 HG3 PRO A 75 -4.645 13.304 -6.428 1.00 72.20 H new ATOM 0 HD2 PRO A 75 -2.194 13.952 -7.383 1.00 40.02 H new ATOM 0 HD3 PRO A 75 -2.436 13.802 -5.654 1.00 40.02 H new ATOM 1199 N GLU A 76 -1.830 10.313 -8.654 1.00 54.34 N ATOM 1200 CA GLU A 76 -1.542 9.502 -9.829 1.00 4.11 C ATOM 1201 C GLU A 76 -0.573 8.362 -9.490 1.00 5.01 C ATOM 1202 O GLU A 76 -0.758 7.228 -9.935 1.00 72.55 O ATOM 1203 CB GLU A 76 -0.962 10.464 -10.873 1.00 61.41 C ATOM 1204 CG GLU A 76 -0.972 9.920 -12.300 1.00 44.43 C ATOM 1205 CD GLU A 76 -0.570 11.021 -13.293 1.00 31.31 C ATOM 1206 OE1 GLU A 76 -1.371 11.980 -13.440 1.00 4.12 O ATOM 1207 OE2 GLU A 76 0.508 10.961 -13.922 1.00 62.50 O ATOM 0 H GLU A 76 -1.683 11.308 -8.825 1.00 54.34 H new ATOM 0 HA GLU A 76 -2.439 9.015 -10.212 1.00 4.11 H new ATOM 0 HB2 GLU A 76 -1.528 11.395 -10.847 1.00 61.41 H new ATOM 0 HB3 GLU A 76 0.064 10.707 -10.596 1.00 61.41 H new ATOM 0 HG2 GLU A 76 -0.283 9.079 -12.381 1.00 44.43 H new ATOM 0 HG3 GLU A 76 -1.965 9.544 -12.546 1.00 44.43 H new ATOM 1214 N GLY A 77 0.414 8.650 -8.638 1.00 32.44 N ATOM 1215 CA GLY A 77 1.430 7.691 -8.242 1.00 44.32 C ATOM 1216 C GLY A 77 0.861 6.636 -7.306 1.00 43.04 C ATOM 1217 O GLY A 77 1.187 5.456 -7.404 1.00 12.05 O ATOM 0 H GLY A 77 0.525 9.566 -8.203 1.00 32.44 H new ATOM 0 HA2 GLY A 77 1.843 7.209 -9.128 1.00 44.32 H new ATOM 0 HA3 GLY A 77 2.252 8.211 -7.750 1.00 44.32 H new ATOM 1221 N PHE A 78 -0.011 7.047 -6.386 1.00 0.24 N ATOM 1222 CA PHE A 78 -0.709 6.121 -5.503 1.00 63.03 C ATOM 1223 C PHE A 78 -1.604 5.182 -6.305 1.00 41.54 C ATOM 1224 O PHE A 78 -1.601 3.973 -6.084 1.00 11.13 O ATOM 1225 CB PHE A 78 -1.509 6.919 -4.488 1.00 53.22 C ATOM 1226 CG PHE A 78 -2.051 6.104 -3.351 1.00 23.22 C ATOM 1227 CD1 PHE A 78 -3.173 5.282 -3.526 1.00 61.31 C ATOM 1228 CD2 PHE A 78 -1.353 6.114 -2.135 1.00 41.35 C ATOM 1229 CE1 PHE A 78 -3.570 4.443 -2.478 1.00 41.35 C ATOM 1230 CE2 PHE A 78 -1.764 5.286 -1.080 1.00 13.11 C ATOM 1231 CZ PHE A 78 -2.861 4.437 -1.275 1.00 1.34 C ATOM 0 H PHE A 78 -0.251 8.027 -6.234 1.00 0.24 H new ATOM 0 HA PHE A 78 0.014 5.500 -4.975 1.00 63.03 H new ATOM 0 HB2 PHE A 78 -0.876 7.709 -4.084 1.00 53.22 H new ATOM 0 HB3 PHE A 78 -2.340 7.406 -4.999 1.00 53.22 H new ATOM 0 HD1 PHE A 78 -3.723 5.296 -4.455 1.00 61.31 H new ATOM 0 HD2 PHE A 78 -0.497 6.761 -2.010 1.00 41.35 H new ATOM 0 HE1 PHE A 78 -4.428 3.798 -2.600 1.00 41.35 H new ATOM 0 HE2 PHE A 78 -1.244 5.303 -0.134 1.00 13.11 H new ATOM 0 HZ PHE A 78 -3.163 3.768 -0.483 1.00 1.34 H new ATOM 1241 N ASN A 79 -2.345 5.749 -7.258 1.00 25.43 N ATOM 1242 CA ASN A 79 -3.242 5.022 -8.140 1.00 72.03 C ATOM 1243 C ASN A 79 -2.504 3.879 -8.842 1.00 72.55 C ATOM 1244 O ASN A 79 -3.035 2.763 -8.878 1.00 73.22 O ATOM 1245 CB ASN A 79 -3.878 6.004 -9.142 1.00 14.20 C ATOM 1246 CG ASN A 79 -5.173 6.653 -8.661 1.00 24.22 C ATOM 1247 OD1 ASN A 79 -5.760 6.275 -7.646 1.00 51.02 O ATOM 1248 ND2 ASN A 79 -5.630 7.658 -9.390 1.00 71.25 N ATOM 0 H ASN A 79 -2.333 6.753 -7.438 1.00 25.43 H new ATOM 0 HA ASN A 79 -4.041 4.566 -7.556 1.00 72.03 H new ATOM 0 HB2 ASN A 79 -3.156 6.789 -9.369 1.00 14.20 H new ATOM 0 HB3 ASN A 79 -4.077 5.474 -10.074 1.00 14.20 H new ATOM 0 HD21 ASN A 79 -6.487 8.139 -9.116 1.00 71.25 H new ATOM 0 HD22 ASN A 79 -5.126 7.952 -10.226 1.00 71.25 H new ATOM 1255 N GLN A 80 -1.291 4.122 -9.362 1.00 11.33 N ATOM 1256 CA GLN A 80 -0.466 3.083 -9.970 1.00 73.12 C ATOM 1257 C GLN A 80 -0.017 2.037 -8.953 1.00 74.32 C ATOM 1258 O GLN A 80 -0.058 0.849 -9.263 1.00 65.43 O ATOM 1259 CB GLN A 80 0.792 3.670 -10.616 1.00 13.51 C ATOM 1260 CG GLN A 80 0.520 4.442 -11.910 1.00 25.25 C ATOM 1261 CD GLN A 80 1.774 4.604 -12.771 1.00 25.33 C ATOM 1262 OE1 GLN A 80 2.669 3.763 -12.782 1.00 61.00 O ATOM 1263 NE2 GLN A 80 1.913 5.690 -13.511 1.00 70.23 N ATOM 0 H GLN A 80 -0.860 5.047 -9.370 1.00 11.33 H new ATOM 0 HA GLN A 80 -1.096 2.614 -10.726 1.00 73.12 H new ATOM 0 HB2 GLN A 80 1.279 4.335 -9.903 1.00 13.51 H new ATOM 0 HB3 GLN A 80 1.492 2.861 -10.827 1.00 13.51 H new ATOM 0 HG2 GLN A 80 -0.247 3.922 -12.485 1.00 25.25 H new ATOM 0 HG3 GLN A 80 0.122 5.427 -11.665 1.00 25.25 H new ATOM 0 HE21 GLN A 80 1.181 6.401 -13.516 1.00 70.23 H new ATOM 0 HE22 GLN A 80 2.752 5.817 -14.077 1.00 70.23 H new ATOM 1272 N LEU A 81 0.410 2.443 -7.754 1.00 15.53 N ATOM 1273 CA LEU A 81 0.894 1.509 -6.743 1.00 53.40 C ATOM 1274 C LEU A 81 -0.200 0.522 -6.366 1.00 64.00 C ATOM 1275 O LEU A 81 0.066 -0.676 -6.240 1.00 43.43 O ATOM 1276 CB LEU A 81 1.376 2.270 -5.496 1.00 55.14 C ATOM 1277 CG LEU A 81 2.915 2.254 -5.383 1.00 54.41 C ATOM 1278 CD1 LEU A 81 3.490 3.650 -5.211 1.00 3.14 C ATOM 1279 CD2 LEU A 81 3.418 1.398 -4.227 1.00 52.52 C ATOM 0 H LEU A 81 0.429 3.420 -7.462 1.00 15.53 H new ATOM 0 HA LEU A 81 1.735 0.955 -7.160 1.00 53.40 H new ATOM 0 HB2 LEU A 81 1.024 3.301 -5.539 1.00 55.14 H new ATOM 0 HB3 LEU A 81 0.940 1.821 -4.604 1.00 55.14 H new ATOM 0 HG LEU A 81 3.255 1.821 -6.324 1.00 54.41 H new ATOM 0 HD11 LEU A 81 4.576 3.590 -5.136 1.00 3.14 H new ATOM 0 HD12 LEU A 81 3.219 4.263 -6.070 1.00 3.14 H new ATOM 0 HD13 LEU A 81 3.088 4.100 -4.303 1.00 3.14 H new ATOM 0 HD21 LEU A 81 4.507 1.427 -4.200 1.00 52.52 H new ATOM 0 HD22 LEU A 81 3.021 1.785 -3.288 1.00 52.52 H new ATOM 0 HD23 LEU A 81 3.086 0.369 -4.365 1.00 52.52 H new ATOM 1291 N MET A 82 -1.435 1.010 -6.218 1.00 61.55 N ATOM 1292 CA MET A 82 -2.550 0.114 -5.975 1.00 45.02 C ATOM 1293 C MET A 82 -2.732 -0.849 -7.146 1.00 54.11 C ATOM 1294 O MET A 82 -3.102 -2.004 -6.933 1.00 51.42 O ATOM 1295 CB MET A 82 -3.864 0.871 -5.762 1.00 22.45 C ATOM 1296 CG MET A 82 -3.892 1.667 -4.461 1.00 63.04 C ATOM 1297 SD MET A 82 -5.493 1.553 -3.623 1.00 61.44 S ATOM 1298 CE MET A 82 -4.974 0.674 -2.131 1.00 14.32 C ATOM 0 H MET A 82 -1.677 2.000 -6.262 1.00 61.55 H new ATOM 0 HA MET A 82 -2.311 -0.437 -5.065 1.00 45.02 H new ATOM 0 HB2 MET A 82 -4.025 1.550 -6.600 1.00 22.45 H new ATOM 0 HB3 MET A 82 -4.690 0.160 -5.764 1.00 22.45 H new ATOM 0 HG2 MET A 82 -3.109 1.301 -3.796 1.00 63.04 H new ATOM 0 HG3 MET A 82 -3.668 2.713 -4.672 1.00 63.04 H new ATOM 0 HE1 MET A 82 -5.843 0.480 -1.502 1.00 14.32 H new ATOM 0 HE2 MET A 82 -4.509 -0.272 -2.409 1.00 14.32 H new ATOM 0 HE3 MET A 82 -4.256 1.283 -1.581 1.00 14.32 H new ATOM 1308 N HIS A 83 -2.494 -0.396 -8.383 1.00 31.42 N ATOM 1309 CA HIS A 83 -2.729 -1.216 -9.561 1.00 13.03 C ATOM 1310 C HIS A 83 -1.700 -2.328 -9.616 1.00 20.14 C ATOM 1311 O HIS A 83 -2.090 -3.470 -9.772 1.00 32.33 O ATOM 1312 CB HIS A 83 -2.724 -0.408 -10.863 1.00 42.52 C ATOM 1313 CG HIS A 83 -3.367 -1.156 -12.008 1.00 43.12 C ATOM 1314 ND1 HIS A 83 -2.863 -1.279 -13.282 1.00 71.21 N ATOM 1315 CD2 HIS A 83 -4.533 -1.877 -11.958 1.00 45.12 C ATOM 1316 CE1 HIS A 83 -3.705 -2.064 -13.973 1.00 51.12 C ATOM 1317 NE2 HIS A 83 -4.763 -2.417 -13.225 1.00 3.30 N ATOM 0 H HIS A 83 -2.138 0.538 -8.586 1.00 31.42 H new ATOM 0 HA HIS A 83 -3.729 -1.640 -9.471 1.00 13.03 H new ATOM 0 HB2 HIS A 83 -3.251 0.533 -10.706 1.00 42.52 H new ATOM 0 HB3 HIS A 83 -1.697 -0.157 -11.128 1.00 42.52 H new ATOM 0 HD2 HIS A 83 -5.163 -2.005 -11.090 1.00 45.12 H new ATOM 0 HE1 HIS A 83 -3.551 -2.371 -14.997 1.00 51.12 H new ATOM 0 HE2 HIS A 83 -5.569 -2.967 -13.522 1.00 3.30 H new ATOM 1325 N PHE A 84 -0.419 -2.026 -9.392 1.00 70.32 N ATOM 1326 CA PHE A 84 0.653 -3.006 -9.243 1.00 72.32 C ATOM 1327 C PHE A 84 0.259 -4.117 -8.268 1.00 35.35 C ATOM 1328 O PHE A 84 0.481 -5.296 -8.561 1.00 60.25 O ATOM 1329 CB PHE A 84 1.922 -2.250 -8.808 1.00 14.21 C ATOM 1330 CG PHE A 84 3.093 -3.120 -8.393 1.00 61.22 C ATOM 1331 CD1 PHE A 84 3.118 -3.696 -7.108 1.00 64.22 C ATOM 1332 CD2 PHE A 84 4.160 -3.356 -9.282 1.00 73.32 C ATOM 1333 CE1 PHE A 84 4.187 -4.523 -6.722 1.00 1.33 C ATOM 1334 CE2 PHE A 84 5.242 -4.164 -8.887 1.00 75.55 C ATOM 1335 CZ PHE A 84 5.249 -4.756 -7.612 1.00 43.12 C ATOM 0 H PHE A 84 -0.092 -1.064 -9.307 1.00 70.32 H new ATOM 0 HA PHE A 84 0.847 -3.511 -10.190 1.00 72.32 H new ATOM 0 HB2 PHE A 84 2.242 -1.610 -9.630 1.00 14.21 H new ATOM 0 HB3 PHE A 84 1.666 -1.595 -7.975 1.00 14.21 H new ATOM 0 HD1 PHE A 84 2.312 -3.501 -6.416 1.00 64.22 H new ATOM 0 HD2 PHE A 84 4.147 -2.916 -10.268 1.00 73.32 H new ATOM 0 HE1 PHE A 84 4.192 -4.979 -5.743 1.00 1.33 H new ATOM 0 HE2 PHE A 84 6.067 -4.329 -9.564 1.00 75.55 H new ATOM 0 HZ PHE A 84 6.071 -5.390 -7.316 1.00 43.12 H new ATOM 1345 N ALA A 85 -0.316 -3.764 -7.112 1.00 40.42 N ATOM 1346 CA ALA A 85 -0.774 -4.751 -6.144 1.00 62.31 C ATOM 1347 C ALA A 85 -1.936 -5.567 -6.691 1.00 72.44 C ATOM 1348 O ALA A 85 -1.907 -6.800 -6.668 1.00 22.04 O ATOM 1349 CB ALA A 85 -1.167 -4.069 -4.832 1.00 34.21 C ATOM 0 H ALA A 85 -0.473 -2.797 -6.829 1.00 40.42 H new ATOM 0 HA ALA A 85 0.051 -5.437 -5.949 1.00 62.31 H new ATOM 0 HB1 ALA A 85 -1.507 -4.820 -4.119 1.00 34.21 H new ATOM 0 HB2 ALA A 85 -0.304 -3.544 -4.422 1.00 34.21 H new ATOM 0 HB3 ALA A 85 -1.970 -3.356 -5.019 1.00 34.21 H new ATOM 1355 N THR A 86 -2.953 -4.870 -7.180 1.00 52.13 N ATOM 1356 CA THR A 86 -4.186 -5.457 -7.663 1.00 42.12 C ATOM 1357 C THR A 86 -3.935 -6.354 -8.875 1.00 12.21 C ATOM 1358 O THR A 86 -4.651 -7.331 -9.044 1.00 3.13 O ATOM 1359 CB THR A 86 -5.167 -4.307 -7.996 1.00 51.21 C ATOM 1360 OG1 THR A 86 -5.364 -3.479 -6.863 1.00 41.34 O ATOM 1361 CG2 THR A 86 -6.557 -4.737 -8.475 1.00 44.13 C ATOM 0 H THR A 86 -2.938 -3.853 -7.252 1.00 52.13 H new ATOM 0 HA THR A 86 -4.621 -6.096 -6.895 1.00 42.12 H new ATOM 0 HB THR A 86 -4.681 -3.789 -8.823 1.00 51.21 H new ATOM 0 HG1 THR A 86 -4.674 -2.783 -6.843 1.00 41.34 H new ATOM 0 HG21 THR A 86 -7.161 -3.853 -8.679 1.00 44.13 H new ATOM 0 HG22 THR A 86 -6.461 -5.329 -9.385 1.00 44.13 H new ATOM 0 HG23 THR A 86 -7.039 -5.335 -7.702 1.00 44.13 H new ATOM 1369 N GLU A 87 -2.940 -6.056 -9.710 1.00 52.25 N ATOM 1370 CA GLU A 87 -2.674 -6.805 -10.920 1.00 30.22 C ATOM 1371 C GLU A 87 -2.119 -8.175 -10.554 1.00 34.33 C ATOM 1372 O GLU A 87 -2.586 -9.174 -11.100 1.00 1.43 O ATOM 1373 CB GLU A 87 -1.714 -6.033 -11.843 1.00 41.23 C ATOM 1374 CG GLU A 87 -2.433 -5.387 -13.029 1.00 51.32 C ATOM 1375 CD GLU A 87 -3.001 -6.422 -14.013 1.00 72.11 C ATOM 1376 OE1 GLU A 87 -4.178 -6.837 -13.844 1.00 73.42 O ATOM 1377 OE2 GLU A 87 -2.306 -6.785 -14.981 1.00 44.11 O ATOM 0 H GLU A 87 -2.295 -5.280 -9.557 1.00 52.25 H new ATOM 0 HA GLU A 87 -3.604 -6.943 -11.471 1.00 30.22 H new ATOM 0 HB2 GLU A 87 -1.204 -5.261 -11.267 1.00 41.23 H new ATOM 0 HB3 GLU A 87 -0.947 -6.713 -12.214 1.00 41.23 H new ATOM 0 HG2 GLU A 87 -3.244 -4.760 -12.659 1.00 51.32 H new ATOM 0 HG3 GLU A 87 -1.739 -4.732 -13.557 1.00 51.32 H new ATOM 1384 N ASN A 88 -1.148 -8.249 -9.629 1.00 13.45 N ATOM 1385 CA ASN A 88 -0.475 -9.513 -9.400 1.00 1.03 C ATOM 1386 C ASN A 88 -1.097 -10.223 -8.188 1.00 63.25 C ATOM 1387 O ASN A 88 -0.816 -11.398 -7.945 1.00 72.45 O ATOM 1388 CB ASN A 88 1.021 -9.189 -9.346 1.00 74.43 C ATOM 1389 CG ASN A 88 1.548 -8.960 -10.769 1.00 44.13 C ATOM 1390 OD1 ASN A 88 1.582 -9.865 -11.596 1.00 63.34 O ATOM 1391 ND2 ASN A 88 1.916 -7.733 -11.103 1.00 20.13 N ATOM 0 H ASN A 88 -0.828 -7.471 -9.052 1.00 13.45 H new ATOM 0 HA ASN A 88 -0.603 -10.251 -10.192 1.00 1.03 H new ATOM 0 HB2 ASN A 88 1.190 -8.301 -8.737 1.00 74.43 H new ATOM 0 HB3 ASN A 88 1.564 -10.007 -8.873 1.00 74.43 H new ATOM 0 HD21 ASN A 88 2.230 -7.536 -12.053 1.00 20.13 H new ATOM 0 HD22 ASN A 88 1.885 -6.985 -10.410 1.00 20.13 H new ATOM 1398 N GLN A 89 -1.997 -9.527 -7.474 1.00 5.31 N ATOM 1399 CA GLN A 89 -2.848 -9.937 -6.358 1.00 13.11 C ATOM 1400 C GLN A 89 -2.073 -10.072 -5.044 1.00 33.35 C ATOM 1401 O GLN A 89 -2.305 -10.982 -4.249 1.00 61.24 O ATOM 1402 CB GLN A 89 -3.672 -11.193 -6.700 1.00 52.40 C ATOM 1403 CG GLN A 89 -4.492 -11.111 -8.004 1.00 24.41 C ATOM 1404 CD GLN A 89 -5.560 -10.011 -8.014 1.00 0.54 C ATOM 1405 OE1 GLN A 89 -5.819 -9.330 -7.019 1.00 2.04 O ATOM 1406 NE2 GLN A 89 -6.239 -9.836 -9.132 1.00 22.54 N ATOM 0 H GLN A 89 -2.160 -8.545 -7.698 1.00 5.31 H new ATOM 0 HA GLN A 89 -3.563 -9.131 -6.193 1.00 13.11 H new ATOM 0 HB2 GLN A 89 -2.994 -12.044 -6.770 1.00 52.40 H new ATOM 0 HB3 GLN A 89 -4.354 -11.396 -5.874 1.00 52.40 H new ATOM 0 HG2 GLN A 89 -3.810 -10.945 -8.838 1.00 24.41 H new ATOM 0 HG3 GLN A 89 -4.977 -12.072 -8.175 1.00 24.41 H new ATOM 0 HE21 GLN A 89 -6.023 -10.400 -9.954 1.00 22.54 H new ATOM 0 HE22 GLN A 89 -6.980 -9.136 -9.174 1.00 22.54 H new ATOM 1415 N LEU A 90 -1.125 -9.168 -4.810 1.00 53.55 N ATOM 1416 CA LEU A 90 -0.124 -9.156 -3.756 1.00 43.01 C ATOM 1417 C LEU A 90 -0.589 -8.802 -2.363 1.00 51.34 C ATOM 1418 O LEU A 90 0.236 -8.388 -1.566 1.00 45.32 O ATOM 1419 CB LEU A 90 0.876 -8.108 -4.180 1.00 10.43 C ATOM 1420 CG LEU A 90 1.582 -8.486 -5.468 1.00 44.25 C ATOM 1421 CD1 LEU A 90 1.513 -9.921 -5.988 1.00 73.44 C ATOM 1422 CD2 LEU A 90 1.706 -7.292 -6.368 1.00 15.52 C ATOM 0 H LEU A 90 -1.033 -8.350 -5.412 1.00 53.55 H new ATOM 0 HA LEU A 90 0.246 -10.177 -3.663 1.00 43.01 H new ATOM 0 HB2 LEU A 90 0.367 -7.153 -4.312 1.00 10.43 H new ATOM 0 HB3 LEU A 90 1.613 -7.969 -3.389 1.00 10.43 H new ATOM 0 HG LEU A 90 2.618 -8.742 -5.248 1.00 44.25 H new ATOM 0 HD11 LEU A 90 2.077 -9.999 -6.918 1.00 73.44 H new ATOM 0 HD12 LEU A 90 1.940 -10.597 -5.247 1.00 73.44 H new ATOM 0 HD13 LEU A 90 0.473 -10.192 -6.170 1.00 73.44 H new ATOM 0 HD21 LEU A 90 2.215 -7.581 -7.288 1.00 15.52 H new ATOM 0 HD22 LEU A 90 0.713 -6.912 -6.607 1.00 15.52 H new ATOM 0 HD23 LEU A 90 2.281 -6.515 -5.864 1.00 15.52 H new ATOM 1434 N ASN A 91 -1.867 -8.979 -2.103 1.00 55.42 N ATOM 1435 CA ASN A 91 -2.580 -8.670 -0.868 1.00 74.05 C ATOM 1436 C ASN A 91 -2.370 -7.241 -0.355 1.00 31.02 C ATOM 1437 O ASN A 91 -1.283 -6.835 0.064 1.00 30.04 O ATOM 1438 CB ASN A 91 -2.183 -9.677 0.196 1.00 72.32 C ATOM 1439 CG ASN A 91 -3.182 -9.698 1.336 1.00 42.14 C ATOM 1440 OD1 ASN A 91 -3.854 -8.727 1.644 1.00 10.02 O ATOM 1441 ND2 ASN A 91 -3.329 -10.848 1.956 1.00 24.54 N ATOM 0 H ASN A 91 -2.492 -9.376 -2.805 1.00 55.42 H new ATOM 0 HA ASN A 91 -3.644 -8.738 -1.095 1.00 74.05 H new ATOM 0 HB2 ASN A 91 -2.114 -10.670 -0.248 1.00 72.32 H new ATOM 0 HB3 ASN A 91 -1.194 -9.431 0.581 1.00 72.32 H new ATOM 0 HD21 ASN A 91 -4.013 -10.939 2.707 1.00 24.54 H new ATOM 0 HD22 ASN A 91 -2.759 -11.650 1.686 1.00 24.54 H new ATOM 1448 N ILE A 92 -3.428 -6.448 -0.389 1.00 43.32 N ATOM 1449 CA ILE A 92 -3.412 -5.107 0.148 1.00 11.43 C ATOM 1450 C ILE A 92 -3.705 -5.244 1.635 1.00 3.31 C ATOM 1451 O ILE A 92 -4.859 -5.332 2.045 1.00 62.41 O ATOM 1452 CB ILE A 92 -4.442 -4.241 -0.610 1.00 21.24 C ATOM 1453 CG1 ILE A 92 -4.015 -4.180 -2.098 1.00 74.10 C ATOM 1454 CG2 ILE A 92 -4.618 -2.817 -0.037 1.00 51.40 C ATOM 1455 CD1 ILE A 92 -5.032 -3.489 -2.996 1.00 34.23 C ATOM 0 H ILE A 92 -4.324 -6.722 -0.793 1.00 43.32 H new ATOM 0 HA ILE A 92 -2.454 -4.603 0.022 1.00 11.43 H new ATOM 0 HB ILE A 92 -5.418 -4.712 -0.494 1.00 21.24 H new ATOM 0 HG12 ILE A 92 -3.062 -3.656 -2.173 1.00 74.10 H new ATOM 0 HG13 ILE A 92 -3.851 -5.194 -2.462 1.00 74.10 H new ATOM 0 HG21 ILE A 92 -5.358 -2.276 -0.627 1.00 51.40 H new ATOM 0 HG22 ILE A 92 -4.954 -2.880 0.998 1.00 51.40 H new ATOM 0 HG23 ILE A 92 -3.666 -2.288 -0.077 1.00 51.40 H new ATOM 0 HD11 ILE A 92 -4.666 -3.483 -4.023 1.00 34.23 H new ATOM 0 HD12 ILE A 92 -5.980 -4.025 -2.951 1.00 34.23 H new ATOM 0 HD13 ILE A 92 -5.179 -2.463 -2.658 1.00 34.23 H new ATOM 1467 N LEU A 93 -2.658 -5.268 2.452 1.00 52.10 N ATOM 1468 CA LEU A 93 -2.792 -5.003 3.865 1.00 30.13 C ATOM 1469 C LEU A 93 -3.038 -3.508 4.079 1.00 62.02 C ATOM 1470 O LEU A 93 -2.919 -2.664 3.181 1.00 44.43 O ATOM 1471 CB LEU A 93 -1.549 -5.464 4.649 1.00 55.44 C ATOM 1472 CG LEU A 93 -1.138 -6.923 4.472 1.00 72.25 C ATOM 1473 CD1 LEU A 93 0.064 -7.274 5.355 1.00 21.44 C ATOM 1474 CD2 LEU A 93 -2.266 -7.942 4.630 1.00 22.31 C ATOM 0 H LEU A 93 -1.705 -5.470 2.150 1.00 52.10 H new ATOM 0 HA LEU A 93 -3.642 -5.571 4.244 1.00 30.13 H new ATOM 0 HB2 LEU A 93 -0.708 -4.834 4.358 1.00 55.44 H new ATOM 0 HB3 LEU A 93 -1.728 -5.286 5.709 1.00 55.44 H new ATOM 0 HG LEU A 93 -0.845 -7.002 3.425 1.00 72.25 H new ATOM 0 HD11 LEU A 93 0.332 -8.320 5.206 1.00 21.44 H new ATOM 0 HD12 LEU A 93 0.910 -6.641 5.087 1.00 21.44 H new ATOM 0 HD13 LEU A 93 -0.193 -7.111 6.402 1.00 21.44 H new ATOM 0 HD21 LEU A 93 -1.871 -8.948 4.486 1.00 22.31 H new ATOM 0 HD22 LEU A 93 -2.693 -7.860 5.629 1.00 22.31 H new ATOM 0 HD23 LEU A 93 -3.040 -7.746 3.888 1.00 22.31 H new ATOM 1486 N ASP A 94 -3.325 -3.200 5.330 1.00 53.24 N ATOM 1487 CA ASP A 94 -3.432 -1.848 5.877 1.00 62.22 C ATOM 1488 C ASP A 94 -2.428 -1.724 7.018 1.00 12.02 C ATOM 1489 O ASP A 94 -1.562 -2.591 7.184 1.00 11.10 O ATOM 1490 CB ASP A 94 -4.872 -1.541 6.315 1.00 24.51 C ATOM 1491 CG ASP A 94 -5.294 -0.081 6.262 1.00 25.34 C ATOM 1492 OD1 ASP A 94 -4.462 0.787 5.946 1.00 43.45 O ATOM 1493 OD2 ASP A 94 -6.474 0.185 6.570 1.00 12.25 O ATOM 0 H ASP A 94 -3.500 -3.918 6.033 1.00 53.24 H new ATOM 0 HA ASP A 94 -3.194 -1.105 5.116 1.00 62.22 H new ATOM 0 HB2 ASP A 94 -5.551 -2.117 5.686 1.00 24.51 H new ATOM 0 HB3 ASP A 94 -5.003 -1.898 7.336 1.00 24.51 H new ATOM 1498 N ALA A 95 -2.536 -0.656 7.803 1.00 44.02 N ATOM 1499 CA ALA A 95 -1.489 -0.229 8.731 1.00 55.14 C ATOM 1500 C ALA A 95 -1.100 -1.314 9.733 1.00 33.32 C ATOM 1501 O ALA A 95 0.080 -1.456 10.063 1.00 5.45 O ATOM 1502 CB ALA A 95 -1.897 1.029 9.503 1.00 35.14 C ATOM 0 H ALA A 95 -3.360 -0.055 7.814 1.00 44.02 H new ATOM 0 HA ALA A 95 -0.623 -0.014 8.105 1.00 55.14 H new ATOM 0 HB1 ALA A 95 -1.094 1.316 10.182 1.00 35.14 H new ATOM 0 HB2 ALA A 95 -2.086 1.841 8.801 1.00 35.14 H new ATOM 0 HB3 ALA A 95 -2.802 0.827 10.076 1.00 35.14 H new ATOM 1508 N GLU A 96 -2.075 -2.071 10.244 1.00 2.42 N ATOM 1509 CA GLU A 96 -1.808 -3.092 11.248 1.00 24.34 C ATOM 1510 C GLU A 96 -1.299 -4.387 10.609 1.00 4.40 C ATOM 1511 O GLU A 96 -0.674 -5.198 11.291 1.00 52.31 O ATOM 1512 CB GLU A 96 -3.065 -3.377 12.080 1.00 43.52 C ATOM 1513 CG GLU A 96 -3.412 -2.250 13.067 1.00 62.12 C ATOM 1514 CD GLU A 96 -3.126 -2.607 14.528 1.00 40.12 C ATOM 1515 OE1 GLU A 96 -3.755 -3.560 15.042 1.00 64.34 O ATOM 1516 OE2 GLU A 96 -2.356 -1.879 15.188 1.00 52.14 O ATOM 0 H GLU A 96 -3.056 -1.992 9.975 1.00 2.42 H new ATOM 0 HA GLU A 96 -1.028 -2.707 11.905 1.00 24.34 H new ATOM 0 HB2 GLU A 96 -3.909 -3.534 11.408 1.00 43.52 H new ATOM 0 HB3 GLU A 96 -2.922 -4.304 12.635 1.00 43.52 H new ATOM 0 HG2 GLU A 96 -2.844 -1.358 12.802 1.00 62.12 H new ATOM 0 HG3 GLU A 96 -4.468 -1.999 12.963 1.00 62.12 H new ATOM 1523 N GLY A 97 -1.507 -4.559 9.304 1.00 62.41 N ATOM 1524 CA GLY A 97 -1.189 -5.756 8.543 1.00 74.33 C ATOM 1525 C GLY A 97 -2.399 -6.671 8.326 1.00 64.22 C ATOM 1526 O GLY A 97 -2.219 -7.820 7.935 1.00 52.40 O ATOM 0 H GLY A 97 -1.922 -3.829 8.725 1.00 62.41 H new ATOM 0 HA2 GLY A 97 -0.782 -5.466 7.574 1.00 74.33 H new ATOM 0 HA3 GLY A 97 -0.409 -6.313 9.062 1.00 74.33 H new ATOM 1530 N ASN A 98 -3.623 -6.206 8.569 1.00 34.01 N ATOM 1531 CA ASN A 98 -4.861 -6.919 8.232 1.00 12.13 C ATOM 1532 C ASN A 98 -5.155 -6.692 6.745 1.00 33.22 C ATOM 1533 O ASN A 98 -4.962 -5.571 6.269 1.00 3.14 O ATOM 1534 CB ASN A 98 -6.041 -6.402 9.081 1.00 44.43 C ATOM 1535 CG ASN A 98 -5.693 -6.240 10.558 1.00 45.35 C ATOM 1536 OD1 ASN A 98 -5.046 -7.101 11.151 1.00 54.21 O ATOM 1537 ND2 ASN A 98 -6.053 -5.132 11.175 1.00 75.12 N ATOM 0 H ASN A 98 -3.789 -5.304 9.015 1.00 34.01 H new ATOM 0 HA ASN A 98 -4.737 -7.982 8.441 1.00 12.13 H new ATOM 0 HB2 ASN A 98 -6.372 -5.442 8.685 1.00 44.43 H new ATOM 0 HB3 ASN A 98 -6.879 -7.092 8.985 1.00 44.43 H new ATOM 0 HD21 ASN A 98 -5.795 -4.985 12.151 1.00 75.12 H new ATOM 0 HD22 ASN A 98 -6.590 -4.422 10.677 1.00 75.12 H new ATOM 1544 N SER A 99 -5.625 -7.715 6.024 1.00 63.02 N ATOM 1545 CA SER A 99 -5.928 -7.664 4.591 1.00 72.23 C ATOM 1546 C SER A 99 -7.230 -6.874 4.346 1.00 70.52 C ATOM 1547 O SER A 99 -8.308 -7.291 4.788 1.00 31.05 O ATOM 1548 CB SER A 99 -6.066 -9.087 4.019 1.00 53.12 C ATOM 1549 OG SER A 99 -5.031 -10.009 4.346 1.00 23.43 O ATOM 0 H SER A 99 -5.811 -8.630 6.435 1.00 63.02 H new ATOM 0 HA SER A 99 -5.106 -7.159 4.085 1.00 72.23 H new ATOM 0 HB2 SER A 99 -7.013 -9.502 4.363 1.00 53.12 H new ATOM 0 HB3 SER A 99 -6.126 -9.013 2.933 1.00 53.12 H new ATOM 0 HG SER A 99 -5.357 -10.925 4.220 1.00 23.43 H new ATOM 1555 N ILE A 100 -7.162 -5.777 3.596 1.00 44.34 N ATOM 1556 CA ILE A 100 -8.285 -4.960 3.127 1.00 11.22 C ATOM 1557 C ILE A 100 -8.397 -5.074 1.596 1.00 61.42 C ATOM 1558 O ILE A 100 -7.726 -5.899 0.970 1.00 10.30 O ATOM 1559 CB ILE A 100 -8.130 -3.495 3.609 1.00 21.51 C ATOM 1560 CG1 ILE A 100 -6.794 -2.872 3.150 1.00 50.51 C ATOM 1561 CG2 ILE A 100 -8.317 -3.396 5.131 1.00 25.33 C ATOM 1562 CD1 ILE A 100 -6.825 -1.341 3.145 1.00 33.44 C ATOM 0 H ILE A 100 -6.265 -5.409 3.278 1.00 44.34 H new ATOM 0 HA ILE A 100 -9.217 -5.329 3.554 1.00 11.22 H new ATOM 0 HB ILE A 100 -8.920 -2.909 3.140 1.00 21.51 H new ATOM 0 HG12 ILE A 100 -5.994 -3.213 3.808 1.00 50.51 H new ATOM 0 HG13 ILE A 100 -6.557 -3.230 2.148 1.00 50.51 H new ATOM 0 HG21 ILE A 100 -8.204 -2.358 5.445 1.00 25.33 H new ATOM 0 HG22 ILE A 100 -9.313 -3.749 5.399 1.00 25.33 H new ATOM 0 HG23 ILE A 100 -7.568 -4.010 5.630 1.00 25.33 H new ATOM 0 HD11 ILE A 100 -5.859 -0.959 2.814 1.00 33.44 H new ATOM 0 HD12 ILE A 100 -7.604 -0.995 2.466 1.00 33.44 H new ATOM 0 HD13 ILE A 100 -7.033 -0.978 4.151 1.00 33.44 H new ATOM 1574 N ASP A 101 -9.285 -4.283 0.990 1.00 52.11 N ATOM 1575 CA ASP A 101 -9.423 -4.118 -0.455 1.00 53.41 C ATOM 1576 C ASP A 101 -8.938 -2.718 -0.810 1.00 14.40 C ATOM 1577 O ASP A 101 -8.957 -1.816 0.023 1.00 12.12 O ATOM 1578 CB ASP A 101 -10.890 -4.251 -0.895 1.00 14.44 C ATOM 1579 CG ASP A 101 -11.286 -5.689 -1.228 1.00 51.35 C ATOM 1580 OD1 ASP A 101 -10.806 -6.202 -2.264 1.00 70.53 O ATOM 1581 OD2 ASP A 101 -12.027 -6.306 -0.430 1.00 11.02 O ATOM 0 H ASP A 101 -9.953 -3.719 1.515 1.00 52.11 H new ATOM 0 HA ASP A 101 -8.842 -4.890 -0.959 1.00 53.41 H new ATOM 0 HB2 ASP A 101 -11.537 -3.876 -0.102 1.00 14.44 H new ATOM 0 HB3 ASP A 101 -11.060 -3.622 -1.769 1.00 14.44 H new ATOM 1586 N ALA A 102 -8.592 -2.520 -2.080 1.00 44.35 N ATOM 1587 CA ALA A 102 -8.108 -1.247 -2.619 1.00 71.11 C ATOM 1588 C ALA A 102 -9.197 -0.184 -2.593 1.00 13.30 C ATOM 1589 O ALA A 102 -8.923 0.997 -2.378 1.00 3.43 O ATOM 1590 CB ALA A 102 -7.689 -1.427 -4.083 1.00 20.14 C ATOM 0 H ALA A 102 -8.641 -3.258 -2.782 1.00 44.35 H new ATOM 0 HA ALA A 102 -7.268 -0.934 -1.999 1.00 71.11 H new ATOM 0 HB1 ALA A 102 -7.330 -0.477 -4.478 1.00 20.14 H new ATOM 0 HB2 ALA A 102 -6.894 -2.170 -4.145 1.00 20.14 H new ATOM 0 HB3 ALA A 102 -8.545 -1.763 -4.668 1.00 20.14 H new ATOM 1596 N ALA A 103 -10.432 -0.617 -2.852 1.00 74.32 N ATOM 1597 CA ALA A 103 -11.581 0.258 -2.939 1.00 32.50 C ATOM 1598 C ALA A 103 -11.763 1.029 -1.637 1.00 50.42 C ATOM 1599 O ALA A 103 -12.090 2.205 -1.694 1.00 24.52 O ATOM 1600 CB ALA A 103 -12.816 -0.579 -3.260 1.00 52.03 C ATOM 0 H ALA A 103 -10.655 -1.600 -3.008 1.00 74.32 H new ATOM 0 HA ALA A 103 -11.429 0.989 -3.734 1.00 32.50 H new ATOM 0 HB1 ALA A 103 -13.688 0.071 -3.328 1.00 52.03 H new ATOM 0 HB2 ALA A 103 -12.671 -1.092 -4.211 1.00 52.03 H new ATOM 0 HB3 ALA A 103 -12.972 -1.315 -2.471 1.00 52.03 H new ATOM 1606 N GLN A 104 -11.476 0.401 -0.492 1.00 31.22 N ATOM 1607 CA GLN A 104 -11.597 0.990 0.840 1.00 33.51 C ATOM 1608 C GLN A 104 -10.563 2.106 1.094 1.00 13.10 C ATOM 1609 O GLN A 104 -10.566 2.715 2.164 1.00 1.23 O ATOM 1610 CB GLN A 104 -11.515 -0.138 1.888 1.00 45.15 C ATOM 1611 CG GLN A 104 -12.626 -1.188 1.691 1.00 31.42 C ATOM 1612 CD GLN A 104 -13.470 -1.420 2.942 1.00 63.02 C ATOM 1613 OE1 GLN A 104 -14.156 -0.530 3.441 1.00 75.52 O ATOM 1614 NE2 GLN A 104 -13.473 -2.635 3.460 1.00 2.42 N ATOM 0 H GLN A 104 -11.142 -0.563 -0.469 1.00 31.22 H new ATOM 0 HA GLN A 104 -12.565 1.484 0.921 1.00 33.51 H new ATOM 0 HB2 GLN A 104 -10.541 -0.623 1.823 1.00 45.15 H new ATOM 0 HB3 GLN A 104 -11.592 0.289 2.888 1.00 45.15 H new ATOM 0 HG2 GLN A 104 -13.277 -0.869 0.877 1.00 31.42 H new ATOM 0 HG3 GLN A 104 -12.174 -2.132 1.387 1.00 31.42 H new ATOM 0 HE21 GLN A 104 -12.902 -3.369 3.042 1.00 2.42 H new ATOM 0 HE22 GLN A 104 -14.047 -2.839 4.278 1.00 2.42 H new ATOM 1623 N VAL A 105 -9.683 2.390 0.125 1.00 14.04 N ATOM 1624 CA VAL A 105 -8.571 3.319 0.246 1.00 51.34 C ATOM 1625 C VAL A 105 -8.744 4.476 -0.733 1.00 71.14 C ATOM 1626 O VAL A 105 -8.875 5.624 -0.321 1.00 12.45 O ATOM 1627 CB VAL A 105 -7.237 2.579 0.042 1.00 0.02 C ATOM 1628 CG1 VAL A 105 -6.066 3.419 0.532 1.00 3.43 C ATOM 1629 CG2 VAL A 105 -7.183 1.210 0.739 1.00 24.52 C ATOM 0 H VAL A 105 -9.735 1.958 -0.797 1.00 14.04 H new ATOM 0 HA VAL A 105 -8.558 3.742 1.250 1.00 51.34 H new ATOM 0 HB VAL A 105 -7.163 2.411 -1.032 1.00 0.02 H new ATOM 0 HG11 VAL A 105 -5.136 2.873 0.376 1.00 3.43 H new ATOM 0 HG12 VAL A 105 -6.033 4.357 -0.023 1.00 3.43 H new ATOM 0 HG13 VAL A 105 -6.189 3.630 1.594 1.00 3.43 H new ATOM 0 HG21 VAL A 105 -6.215 0.745 0.553 1.00 24.52 H new ATOM 0 HG22 VAL A 105 -7.322 1.342 1.812 1.00 24.52 H new ATOM 0 HG23 VAL A 105 -7.974 0.571 0.347 1.00 24.52 H new ATOM 1639 N THR A 106 -8.746 4.223 -2.043 1.00 23.30 N ATOM 1640 CA THR A 106 -8.848 5.313 -3.017 1.00 63.51 C ATOM 1641 C THR A 106 -10.291 5.801 -3.209 1.00 25.33 C ATOM 1642 O THR A 106 -10.585 6.449 -4.211 1.00 12.54 O ATOM 1643 CB THR A 106 -8.076 5.004 -4.314 1.00 41.43 C ATOM 1644 OG1 THR A 106 -8.306 3.709 -4.828 1.00 51.11 O ATOM 1645 CG2 THR A 106 -6.573 5.095 -4.056 1.00 44.31 C ATOM 0 H THR A 106 -8.679 3.290 -2.450 1.00 23.30 H new ATOM 0 HA THR A 106 -8.337 6.180 -2.599 1.00 63.51 H new ATOM 0 HB THR A 106 -8.433 5.738 -5.036 1.00 41.43 H new ATOM 0 HG1 THR A 106 -7.588 3.109 -4.536 1.00 51.11 H new ATOM 0 HG21 THR A 106 -6.032 4.876 -4.976 1.00 44.31 H new ATOM 0 HG22 THR A 106 -6.322 6.101 -3.718 1.00 44.31 H new ATOM 0 HG23 THR A 106 -6.291 4.374 -3.289 1.00 44.31 H new