USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 812 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 59 HIS : no HD1:sc= 0.192 K(o=1.1,f=-3.7) USER MOD Set 1.2: A 83 LYS NZ :NH3+ -113:sc= 0.887 (180deg=-1.2!) USER MOD Single : A 13 LYS NZ :NH3+ 163:sc= -0.684 (180deg=-1.15) USER MOD Single : A 15 GLN : amide:sc= -0.251 X(o=-0.25,f=-0.44) USER MOD Single : A 18 THR OG1 : rot -118:sc= 0.0657 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc=-0.000676 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -153:sc= -0.977 (180deg=-2.75!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -116:sc= -0.749 (180deg=-2.11!) USER MOD Single : A 48 LYS NZ :NH3+ -159:sc= -0.0357 (180deg=-0.269) USER MOD Single : A 50 MET CE :methyl -144:sc= -0.838 (180deg=-3.01!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= 1.13 K(o=1.1,f=-0.053) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.0691 USER MOD Single : A 69 HIS : no HD1:sc= 0.234 K(o=0.23,f=-1.6!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 31:sc= 0.129 USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.198 USER MOD Single : A 77 MET CE :methyl -172:sc= -2.02 (180deg=-2.08) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN : amide:sc=-0.00566 X(o=-0.0057,f=-0.056) USER MOD Single : A 89 ASN : amide:sc= -0.0292 X(o=-0.029,f=0) USER MOD Single : A 90 TYR OH : rot 8:sc= 1.29 USER MOD Single : A 92 CYS SG : rot 154:sc= -4.01! USER MOD Single : A 95 THR OG1 : rot -43:sc= 0.503 USER MOD Single : A 96 TYR OH : rot 30:sc= 0.0073 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 CYS SG : rot 13:sc= -0.613 USER MOD Single : A 104 SER OG : rot 180:sc= -1.49 USER MOD Single : A 110 HIS : no HD1:sc= -0.894 X(o=-0.89,f=-1.4) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 124 N ILE A 11 11.057 4.766 -0.086 1.00 0.00 N ATOM 125 CA ILE A 11 11.247 5.991 -0.852 1.00 0.00 C ATOM 126 C ILE A 11 9.916 6.528 -1.369 1.00 0.00 C ATOM 127 O ILE A 11 9.665 7.731 -1.331 1.00 0.00 O ATOM 128 CB ILE A 11 12.196 5.769 -2.044 1.00 0.00 C ATOM 129 CG1 ILE A 11 12.503 7.100 -2.734 1.00 0.00 C ATOM 130 CG2 ILE A 11 11.586 4.784 -3.030 1.00 0.00 C ATOM 131 CD1 ILE A 11 13.871 7.144 -3.380 1.00 0.00 C ATOM 0 HA ILE A 11 11.692 6.720 -0.175 1.00 0.00 H new ATOM 0 HB ILE A 11 13.131 5.350 -1.672 1.00 0.00 H new ATOM 0 HG12 ILE A 11 11.745 7.290 -3.494 1.00 0.00 H new ATOM 0 HG13 ILE A 11 12.429 7.905 -2.003 1.00 0.00 H new ATOM 0 HG21 ILE A 11 12.269 4.637 -3.867 1.00 0.00 H new ATOM 0 HG22 ILE A 11 11.413 3.830 -2.532 1.00 0.00 H new ATOM 0 HG23 ILE A 11 10.639 5.178 -3.399 1.00 0.00 H new ATOM 0 HD11 ILE A 11 14.020 8.116 -3.850 1.00 0.00 H new ATOM 0 HD12 ILE A 11 14.637 6.986 -2.621 1.00 0.00 H new ATOM 0 HD13 ILE A 11 13.942 6.361 -4.135 1.00 0.00 H new ATOM 143 N GLU A 12 9.067 5.625 -1.849 1.00 0.00 N ATOM 144 CA GLU A 12 7.761 6.008 -2.373 1.00 0.00 C ATOM 145 C GLU A 12 6.649 5.606 -1.408 1.00 0.00 C ATOM 146 O GLU A 12 6.797 4.666 -0.628 1.00 0.00 O ATOM 147 CB GLU A 12 7.524 5.361 -3.739 1.00 0.00 C ATOM 148 CG GLU A 12 6.644 6.188 -4.661 1.00 0.00 C ATOM 149 CD GLU A 12 7.435 7.195 -5.473 1.00 0.00 C ATOM 150 OE1 GLU A 12 8.523 7.602 -5.016 1.00 0.00 O ATOM 151 OE2 GLU A 12 6.965 7.576 -6.566 1.00 0.00 O ATOM 0 H GLU A 12 9.260 4.624 -1.886 1.00 0.00 H new ATOM 0 HA GLU A 12 7.747 7.092 -2.486 1.00 0.00 H new ATOM 0 HB2 GLU A 12 8.486 5.193 -4.223 1.00 0.00 H new ATOM 0 HB3 GLU A 12 7.065 4.383 -3.593 1.00 0.00 H new ATOM 0 HG2 GLU A 12 6.107 5.523 -5.337 1.00 0.00 H new ATOM 0 HG3 GLU A 12 5.895 6.713 -4.068 1.00 0.00 H new ATOM 158 N LYS A 13 5.534 6.327 -1.467 1.00 0.00 N ATOM 159 CA LYS A 13 4.395 6.048 -0.600 1.00 0.00 C ATOM 160 C LYS A 13 3.081 6.253 -1.346 1.00 0.00 C ATOM 161 O LYS A 13 2.900 7.226 -2.078 1.00 0.00 O ATOM 162 CB LYS A 13 4.438 6.947 0.638 1.00 0.00 C ATOM 163 CG LYS A 13 5.736 6.845 1.419 1.00 0.00 C ATOM 164 CD LYS A 13 6.067 8.151 2.123 1.00 0.00 C ATOM 165 CE LYS A 13 6.889 9.071 1.234 1.00 0.00 C ATOM 166 NZ LYS A 13 6.080 9.630 0.116 1.00 0.00 N ATOM 0 H LYS A 13 5.395 7.109 -2.107 1.00 0.00 H new ATOM 0 HA LYS A 13 4.455 5.006 -0.286 1.00 0.00 H new ATOM 0 HB2 LYS A 13 4.289 7.982 0.330 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.607 6.687 1.294 1.00 0.00 H new ATOM 0 HG2 LYS A 13 5.657 6.044 2.154 1.00 0.00 H new ATOM 0 HG3 LYS A 13 6.549 6.579 0.743 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.144 8.653 2.413 1.00 0.00 H new ATOM 0 HD3 LYS A 13 6.618 7.942 3.040 1.00 0.00 H new ATOM 0 HE2 LYS A 13 7.295 9.887 1.832 1.00 0.00 H new ATOM 0 HE3 LYS A 13 7.738 8.521 0.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.569 10.454 -0.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.956 8.905 -0.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.148 9.922 0.474 1.00 0.00 H new ATOM 180 N PRO A 14 2.139 5.317 -1.156 1.00 0.00 N ATOM 181 CA PRO A 14 0.824 5.375 -1.801 1.00 0.00 C ATOM 182 C PRO A 14 -0.044 6.501 -1.247 1.00 0.00 C ATOM 183 O PRO A 14 -0.361 6.524 -0.058 1.00 0.00 O ATOM 184 CB PRO A 14 0.207 4.013 -1.472 1.00 0.00 C ATOM 185 CG PRO A 14 0.887 3.582 -0.219 1.00 0.00 C ATOM 186 CD PRO A 14 2.285 4.131 -0.297 1.00 0.00 C ATOM 0 HA PRO A 14 0.902 5.576 -2.869 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -0.871 4.090 -1.331 1.00 0.00 H new ATOM 0 HB3 PRO A 14 0.372 3.298 -2.278 1.00 0.00 H new ATOM 0 HG2 PRO A 14 0.366 3.964 0.659 1.00 0.00 H new ATOM 0 HG3 PRO A 14 0.899 2.495 -0.135 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.669 4.394 0.689 1.00 0.00 H new ATOM 0 HD3 PRO A 14 2.978 3.407 -0.726 1.00 0.00 H new ATOM 194 N GLN A 15 -0.425 7.430 -2.117 1.00 0.00 N ATOM 195 CA GLN A 15 -1.256 8.558 -1.714 1.00 0.00 C ATOM 196 C GLN A 15 -2.735 8.244 -1.916 1.00 0.00 C ATOM 197 O GLN A 15 -3.548 9.144 -2.126 1.00 0.00 O ATOM 198 CB GLN A 15 -0.875 9.809 -2.508 1.00 0.00 C ATOM 199 CG GLN A 15 0.513 10.337 -2.182 1.00 0.00 C ATOM 200 CD GLN A 15 0.812 10.315 -0.696 1.00 0.00 C ATOM 201 OE1 GLN A 15 0.144 10.983 0.093 1.00 0.00 O ATOM 202 NE2 GLN A 15 1.820 9.544 -0.306 1.00 0.00 N ATOM 0 H GLN A 15 -0.172 7.424 -3.105 1.00 0.00 H new ATOM 0 HA GLN A 15 -1.084 8.743 -0.654 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -0.928 9.583 -3.573 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -1.608 10.591 -2.311 1.00 0.00 H new ATOM 0 HG2 GLN A 15 1.258 9.739 -2.707 1.00 0.00 H new ATOM 0 HG3 GLN A 15 0.605 11.358 -2.552 1.00 0.00 H new ATOM 0 HE21 GLN A 15 2.347 9.007 -0.994 1.00 0.00 H new ATOM 0 HE22 GLN A 15 2.067 9.489 0.682 1.00 0.00 H new ATOM 211 N GLY A 16 -3.077 6.961 -1.851 1.00 0.00 N ATOM 212 CA GLY A 16 -4.458 6.551 -2.029 1.00 0.00 C ATOM 213 C GLY A 16 -5.169 7.359 -3.097 1.00 0.00 C ATOM 214 O GLY A 16 -4.530 7.945 -3.970 1.00 0.00 O ATOM 0 H GLY A 16 -2.422 6.198 -1.678 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -4.489 5.495 -2.296 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -4.990 6.656 -1.083 1.00 0.00 H new ATOM 218 N GLY A 17 -6.496 7.389 -3.029 1.00 0.00 N ATOM 219 CA GLY A 17 -7.273 8.131 -4.004 1.00 0.00 C ATOM 220 C GLY A 17 -8.762 7.880 -3.872 1.00 0.00 C ATOM 221 O GLY A 17 -9.243 7.494 -2.806 1.00 0.00 O ATOM 0 H GLY A 17 -7.047 6.912 -2.315 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -7.076 9.196 -3.886 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -6.949 7.856 -5.008 1.00 0.00 H new ATOM 225 N THR A 18 -9.496 8.101 -4.958 1.00 0.00 N ATOM 226 CA THR A 18 -10.939 7.899 -4.959 1.00 0.00 C ATOM 227 C THR A 18 -11.390 7.156 -6.212 1.00 0.00 C ATOM 228 O THR A 18 -11.208 7.636 -7.330 1.00 0.00 O ATOM 229 CB THR A 18 -11.694 9.239 -4.872 1.00 0.00 C ATOM 230 OG1 THR A 18 -11.028 10.117 -3.958 1.00 0.00 O ATOM 231 CG2 THR A 18 -13.130 9.022 -4.420 1.00 0.00 C ATOM 0 H THR A 18 -9.114 8.420 -5.848 1.00 0.00 H new ATOM 0 HA THR A 18 -11.174 7.299 -4.080 1.00 0.00 H new ATOM 0 HB THR A 18 -11.707 9.690 -5.864 1.00 0.00 H new ATOM 0 HG1 THR A 18 -11.629 10.333 -3.215 1.00 0.00 H new ATOM 0 HG21 THR A 18 -13.643 9.982 -4.366 1.00 0.00 H new ATOM 0 HG22 THR A 18 -13.642 8.376 -5.133 1.00 0.00 H new ATOM 0 HG23 THR A 18 -13.135 8.552 -3.437 1.00 0.00 H new ATOM 239 N VAL A 19 -11.980 5.980 -6.017 1.00 0.00 N ATOM 240 CA VAL A 19 -12.458 5.171 -7.131 1.00 0.00 C ATOM 241 C VAL A 19 -13.972 5.003 -7.078 1.00 0.00 C ATOM 242 O VAL A 19 -14.560 4.899 -6.001 1.00 0.00 O ATOM 243 CB VAL A 19 -11.798 3.779 -7.138 1.00 0.00 C ATOM 244 CG1 VAL A 19 -12.178 3.002 -5.887 1.00 0.00 C ATOM 245 CG2 VAL A 19 -12.189 3.011 -8.392 1.00 0.00 C ATOM 0 H VAL A 19 -12.138 5.567 -5.098 1.00 0.00 H new ATOM 0 HA VAL A 19 -12.186 5.699 -8.045 1.00 0.00 H new ATOM 0 HB VAL A 19 -10.716 3.909 -7.141 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -11.703 2.021 -5.909 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -11.844 3.547 -5.004 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -13.260 2.880 -5.849 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -11.714 2.030 -8.381 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -13.272 2.890 -8.422 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -11.862 3.563 -9.273 1.00 0.00 H new ATOM 255 N LYS A 20 -14.601 4.978 -8.249 1.00 0.00 N ATOM 256 CA LYS A 20 -16.047 4.821 -8.338 1.00 0.00 C ATOM 257 C LYS A 20 -16.449 3.361 -8.155 1.00 0.00 C ATOM 258 O LYS A 20 -15.678 2.452 -8.464 1.00 0.00 O ATOM 259 CB LYS A 20 -16.555 5.335 -9.688 1.00 0.00 C ATOM 260 CG LYS A 20 -18.036 5.670 -9.693 1.00 0.00 C ATOM 261 CD LYS A 20 -18.339 6.877 -8.822 1.00 0.00 C ATOM 262 CE LYS A 20 -17.846 8.165 -9.464 1.00 0.00 C ATOM 263 NZ LYS A 20 -18.806 8.682 -10.478 1.00 0.00 N ATOM 0 H LYS A 20 -14.131 5.065 -9.150 1.00 0.00 H new ATOM 0 HA LYS A 20 -16.500 5.407 -7.539 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -15.989 6.224 -9.965 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -16.359 4.582 -10.451 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -18.362 5.867 -10.714 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -18.605 4.811 -9.337 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -19.413 6.943 -8.650 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -17.868 6.751 -7.847 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -17.691 8.919 -8.692 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -16.879 7.989 -9.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -18.434 9.560 -10.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -18.934 7.973 -11.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -19.721 8.874 -10.023 1.00 0.00 H new ATOM 277 N VAL A 21 -17.660 3.143 -7.653 1.00 0.00 N ATOM 278 CA VAL A 21 -18.164 1.794 -7.431 1.00 0.00 C ATOM 279 C VAL A 21 -18.230 1.010 -8.737 1.00 0.00 C ATOM 280 O VAL A 21 -18.972 1.367 -9.651 1.00 0.00 O ATOM 281 CB VAL A 21 -19.564 1.816 -6.788 1.00 0.00 C ATOM 282 CG1 VAL A 21 -20.128 0.407 -6.689 1.00 0.00 C ATOM 283 CG2 VAL A 21 -19.510 2.476 -5.419 1.00 0.00 C ATOM 0 H VAL A 21 -18.310 3.884 -7.392 1.00 0.00 H new ATOM 0 HA VAL A 21 -17.467 1.304 -6.751 1.00 0.00 H new ATOM 0 HB VAL A 21 -20.228 2.403 -7.423 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -21.117 0.442 -6.232 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -20.204 -0.025 -7.687 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -19.468 -0.207 -6.077 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -20.507 2.483 -4.979 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -18.832 1.918 -4.773 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -19.152 3.500 -5.523 1.00 0.00 H new ATOM 293 N GLY A 22 -17.447 -0.062 -8.818 1.00 0.00 N ATOM 294 CA GLY A 22 -17.431 -0.880 -10.017 1.00 0.00 C ATOM 295 C GLY A 22 -16.249 -0.570 -10.914 1.00 0.00 C ATOM 296 O GLY A 22 -15.963 -1.313 -11.852 1.00 0.00 O ATOM 0 H GLY A 22 -16.824 -0.378 -8.075 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -17.403 -1.932 -9.735 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -18.356 -0.723 -10.572 1.00 0.00 H new ATOM 300 N GLU A 23 -15.562 0.531 -10.627 1.00 0.00 N ATOM 301 CA GLU A 23 -14.406 0.937 -11.417 1.00 0.00 C ATOM 302 C GLU A 23 -13.165 0.147 -11.013 1.00 0.00 C ATOM 303 O GLU A 23 -13.231 -0.742 -10.163 1.00 0.00 O ATOM 304 CB GLU A 23 -14.147 2.436 -11.249 1.00 0.00 C ATOM 305 CG GLU A 23 -14.891 3.299 -12.254 1.00 0.00 C ATOM 306 CD GLU A 23 -14.385 4.728 -12.283 1.00 0.00 C ATOM 307 OE1 GLU A 23 -13.196 4.944 -11.967 1.00 0.00 O ATOM 308 OE2 GLU A 23 -15.179 5.631 -12.621 1.00 0.00 O ATOM 0 H GLU A 23 -15.786 1.157 -9.854 1.00 0.00 H new ATOM 0 HA GLU A 23 -14.623 0.728 -12.465 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -14.436 2.735 -10.242 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -13.077 2.624 -11.343 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -14.791 2.862 -13.247 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -15.954 3.299 -12.011 1.00 0.00 H new ATOM 315 N ASP A 24 -12.035 0.476 -11.629 1.00 0.00 N ATOM 316 CA ASP A 24 -10.778 -0.203 -11.334 1.00 0.00 C ATOM 317 C ASP A 24 -9.676 0.806 -11.024 1.00 0.00 C ATOM 318 O ASP A 24 -9.362 1.669 -11.844 1.00 0.00 O ATOM 319 CB ASP A 24 -10.361 -1.085 -12.512 1.00 0.00 C ATOM 320 CG ASP A 24 -9.952 -0.275 -13.726 1.00 0.00 C ATOM 321 OD1 ASP A 24 -10.509 0.826 -13.920 1.00 0.00 O ATOM 322 OD2 ASP A 24 -9.075 -0.742 -14.484 1.00 0.00 O ATOM 0 H ASP A 24 -11.963 1.208 -12.335 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.930 -0.831 -10.456 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.531 -1.723 -12.208 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -11.188 -1.743 -12.780 1.00 0.00 H new ATOM 327 N ILE A 25 -9.095 0.691 -9.835 1.00 0.00 N ATOM 328 CA ILE A 25 -8.028 1.593 -9.417 1.00 0.00 C ATOM 329 C ILE A 25 -6.767 0.819 -9.048 1.00 0.00 C ATOM 330 O ILE A 25 -6.833 -0.339 -8.634 1.00 0.00 O ATOM 331 CB ILE A 25 -8.458 2.454 -8.214 1.00 0.00 C ATOM 332 CG1 ILE A 25 -7.309 3.362 -7.772 1.00 0.00 C ATOM 333 CG2 ILE A 25 -8.913 1.568 -7.064 1.00 0.00 C ATOM 334 CD1 ILE A 25 -7.749 4.503 -6.882 1.00 0.00 C ATOM 0 H ILE A 25 -9.344 -0.017 -9.144 1.00 0.00 H new ATOM 0 HA ILE A 25 -7.817 2.246 -10.264 1.00 0.00 H new ATOM 0 HB ILE A 25 -9.296 3.082 -8.517 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -6.567 2.764 -7.243 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -6.818 3.770 -8.656 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -9.214 2.191 -6.222 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -9.759 0.960 -7.386 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -8.093 0.917 -6.760 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -6.883 5.105 -6.607 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -8.468 5.124 -7.416 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -8.213 4.103 -5.981 1.00 0.00 H new ATOM 346 N THR A 26 -5.616 1.467 -9.200 1.00 0.00 N ATOM 347 CA THR A 26 -4.339 0.841 -8.883 1.00 0.00 C ATOM 348 C THR A 26 -3.431 1.799 -8.120 1.00 0.00 C ATOM 349 O THR A 26 -3.325 2.976 -8.465 1.00 0.00 O ATOM 350 CB THR A 26 -3.613 0.369 -10.157 1.00 0.00 C ATOM 351 OG1 THR A 26 -4.534 -0.298 -11.027 1.00 0.00 O ATOM 352 CG2 THR A 26 -2.465 -0.567 -9.811 1.00 0.00 C ATOM 0 H THR A 26 -5.543 2.426 -9.541 1.00 0.00 H new ATOM 0 HA THR A 26 -4.558 -0.024 -8.257 1.00 0.00 H new ATOM 0 HB THR A 26 -3.206 1.245 -10.662 1.00 0.00 H new ATOM 0 HG1 THR A 26 -4.065 -0.594 -11.835 1.00 0.00 H new ATOM 0 HG21 THR A 26 -1.968 -0.887 -10.727 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.751 -0.046 -9.173 1.00 0.00 H new ATOM 0 HG23 THR A 26 -2.853 -1.439 -9.285 1.00 0.00 H new ATOM 360 N PHE A 27 -2.778 1.288 -7.082 1.00 0.00 N ATOM 361 CA PHE A 27 -1.879 2.099 -6.269 1.00 0.00 C ATOM 362 C PHE A 27 -0.422 1.741 -6.548 1.00 0.00 C ATOM 363 O PHE A 27 -0.116 0.625 -6.970 1.00 0.00 O ATOM 364 CB PHE A 27 -2.188 1.907 -4.783 1.00 0.00 C ATOM 365 CG PHE A 27 -3.644 2.060 -4.449 1.00 0.00 C ATOM 366 CD1 PHE A 27 -4.535 1.025 -4.682 1.00 0.00 C ATOM 367 CD2 PHE A 27 -4.123 3.240 -3.902 1.00 0.00 C ATOM 368 CE1 PHE A 27 -5.875 1.162 -4.375 1.00 0.00 C ATOM 369 CE2 PHE A 27 -5.462 3.383 -3.593 1.00 0.00 C ATOM 370 CZ PHE A 27 -6.340 2.343 -3.831 1.00 0.00 C ATOM 0 H PHE A 27 -2.854 0.316 -6.784 1.00 0.00 H new ATOM 0 HA PHE A 27 -2.035 3.145 -6.533 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -1.855 0.915 -4.476 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -1.613 2.630 -4.204 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -4.178 0.100 -5.109 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -3.442 4.057 -3.715 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -6.558 0.346 -4.560 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -5.822 4.307 -3.166 1.00 0.00 H new ATOM 0 HZ PHE A 27 -7.387 2.453 -3.592 1.00 0.00 H new ATOM 380 N ILE A 28 0.471 2.695 -6.309 1.00 0.00 N ATOM 381 CA ILE A 28 1.896 2.480 -6.534 1.00 0.00 C ATOM 382 C ILE A 28 2.675 2.551 -5.225 1.00 0.00 C ATOM 383 O ILE A 28 2.466 3.453 -4.414 1.00 0.00 O ATOM 384 CB ILE A 28 2.472 3.515 -7.518 1.00 0.00 C ATOM 385 CG1 ILE A 28 1.851 3.333 -8.904 1.00 0.00 C ATOM 386 CG2 ILE A 28 3.987 3.391 -7.590 1.00 0.00 C ATOM 387 CD1 ILE A 28 2.095 1.965 -9.501 1.00 0.00 C ATOM 0 H ILE A 28 0.234 3.624 -5.960 1.00 0.00 H new ATOM 0 HA ILE A 28 2.002 1.484 -6.964 1.00 0.00 H new ATOM 0 HB ILE A 28 2.225 4.514 -7.158 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.777 3.505 -8.837 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.254 4.091 -9.576 1.00 0.00 H new ATOM 0 HG21 ILE A 28 4.380 4.129 -8.290 1.00 0.00 H new ATOM 0 HG22 ILE A 28 4.414 3.564 -6.602 1.00 0.00 H new ATOM 0 HG23 ILE A 28 4.254 2.391 -7.930 1.00 0.00 H new ATOM 0 HD11 ILE A 28 1.626 1.908 -10.483 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.167 1.797 -9.600 1.00 0.00 H new ATOM 0 HD13 ILE A 28 1.667 1.202 -8.850 1.00 0.00 H new ATOM 399 N ALA A 29 3.576 1.594 -5.027 1.00 0.00 N ATOM 400 CA ALA A 29 4.390 1.549 -3.818 1.00 0.00 C ATOM 401 C ALA A 29 5.714 0.839 -4.075 1.00 0.00 C ATOM 402 O ALA A 29 5.746 -0.366 -4.326 1.00 0.00 O ATOM 403 CB ALA A 29 3.629 0.862 -2.694 1.00 0.00 C ATOM 0 H ALA A 29 3.761 0.840 -5.688 1.00 0.00 H new ATOM 0 HA ALA A 29 4.609 2.574 -3.519 1.00 0.00 H new ATOM 0 HB1 ALA A 29 4.249 0.836 -1.798 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.712 1.414 -2.485 1.00 0.00 H new ATOM 0 HB3 ALA A 29 3.380 -0.156 -2.993 1.00 0.00 H new ATOM 409 N LYS A 30 6.807 1.592 -4.010 1.00 0.00 N ATOM 410 CA LYS A 30 8.135 1.036 -4.235 1.00 0.00 C ATOM 411 C LYS A 30 8.977 1.107 -2.965 1.00 0.00 C ATOM 412 O LYS A 30 8.639 1.824 -2.023 1.00 0.00 O ATOM 413 CB LYS A 30 8.840 1.784 -5.368 1.00 0.00 C ATOM 414 CG LYS A 30 8.278 1.473 -6.745 1.00 0.00 C ATOM 415 CD LYS A 30 8.452 2.644 -7.697 1.00 0.00 C ATOM 416 CE LYS A 30 7.272 3.601 -7.624 1.00 0.00 C ATOM 417 NZ LYS A 30 7.304 4.605 -8.724 1.00 0.00 N ATOM 0 H LYS A 30 6.798 2.591 -3.803 1.00 0.00 H new ATOM 0 HA LYS A 30 8.019 -0.011 -4.516 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.763 2.856 -5.187 1.00 0.00 H new ATOM 0 HB3 LYS A 30 9.901 1.533 -5.353 1.00 0.00 H new ATOM 0 HG2 LYS A 30 8.778 0.594 -7.153 1.00 0.00 H new ATOM 0 HG3 LYS A 30 7.220 1.227 -6.660 1.00 0.00 H new ATOM 0 HD2 LYS A 30 9.371 3.178 -7.455 1.00 0.00 H new ATOM 0 HD3 LYS A 30 8.559 2.273 -8.716 1.00 0.00 H new ATOM 0 HE2 LYS A 30 6.342 3.035 -7.675 1.00 0.00 H new ATOM 0 HE3 LYS A 30 7.280 4.115 -6.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 6.484 5.239 -8.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 8.180 5.162 -8.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 7.271 4.116 -9.641 1.00 0.00 H new ATOM 431 N VAL A 31 10.076 0.359 -2.945 1.00 0.00 N ATOM 432 CA VAL A 31 10.967 0.339 -1.792 1.00 0.00 C ATOM 433 C VAL A 31 12.428 0.312 -2.226 1.00 0.00 C ATOM 434 O VAL A 31 12.777 -0.306 -3.233 1.00 0.00 O ATOM 435 CB VAL A 31 10.689 -0.876 -0.888 1.00 0.00 C ATOM 436 CG1 VAL A 31 11.158 -2.159 -1.558 1.00 0.00 C ATOM 437 CG2 VAL A 31 11.357 -0.697 0.467 1.00 0.00 C ATOM 0 H VAL A 31 10.370 -0.241 -3.715 1.00 0.00 H new ATOM 0 HA VAL A 31 10.775 1.252 -1.229 1.00 0.00 H new ATOM 0 HB VAL A 31 9.613 -0.950 -0.729 1.00 0.00 H new ATOM 0 HG11 VAL A 31 10.953 -3.007 -0.904 1.00 0.00 H new ATOM 0 HG12 VAL A 31 10.628 -2.292 -2.501 1.00 0.00 H new ATOM 0 HG13 VAL A 31 12.229 -2.099 -1.749 1.00 0.00 H new ATOM 0 HG21 VAL A 31 11.150 -1.565 1.092 1.00 0.00 H new ATOM 0 HG22 VAL A 31 12.434 -0.596 0.331 1.00 0.00 H new ATOM 0 HG23 VAL A 31 10.967 0.199 0.949 1.00 0.00 H new ATOM 447 N LYS A 32 13.280 0.985 -1.461 1.00 0.00 N ATOM 448 CA LYS A 32 14.705 1.038 -1.764 1.00 0.00 C ATOM 449 C LYS A 32 15.395 -0.262 -1.363 1.00 0.00 C ATOM 450 O LYS A 32 15.352 -0.665 -0.201 1.00 0.00 O ATOM 451 CB LYS A 32 15.358 2.218 -1.042 1.00 0.00 C ATOM 452 CG LYS A 32 16.662 2.673 -1.676 1.00 0.00 C ATOM 453 CD LYS A 32 16.414 3.509 -2.921 1.00 0.00 C ATOM 454 CE LYS A 32 17.542 3.354 -3.930 1.00 0.00 C ATOM 455 NZ LYS A 32 17.379 4.273 -5.090 1.00 0.00 N ATOM 0 H LYS A 32 13.008 1.502 -0.625 1.00 0.00 H new ATOM 0 HA LYS A 32 14.817 1.172 -2.840 1.00 0.00 H new ATOM 0 HB2 LYS A 32 14.660 3.055 -1.026 1.00 0.00 H new ATOM 0 HB3 LYS A 32 15.546 1.940 -0.005 1.00 0.00 H new ATOM 0 HG2 LYS A 32 17.235 3.255 -0.954 1.00 0.00 H new ATOM 0 HG3 LYS A 32 17.265 1.803 -1.935 1.00 0.00 H new ATOM 0 HD2 LYS A 32 15.471 3.211 -3.379 1.00 0.00 H new ATOM 0 HD3 LYS A 32 16.315 4.558 -2.642 1.00 0.00 H new ATOM 0 HE2 LYS A 32 18.496 3.552 -3.441 1.00 0.00 H new ATOM 0 HE3 LYS A 32 17.573 2.324 -4.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 18.167 4.137 -5.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 16.481 4.068 -5.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 17.375 5.258 -4.755 1.00 0.00 H new ATOM 469 N ALA A 33 16.032 -0.913 -2.331 1.00 0.00 N ATOM 470 CA ALA A 33 16.734 -2.165 -2.077 1.00 0.00 C ATOM 471 C ALA A 33 18.197 -2.069 -2.498 1.00 0.00 C ATOM 472 O ALA A 33 18.531 -1.374 -3.456 1.00 0.00 O ATOM 473 CB ALA A 33 16.048 -3.311 -2.805 1.00 0.00 C ATOM 0 H ALA A 33 16.076 -0.594 -3.299 1.00 0.00 H new ATOM 0 HA ALA A 33 16.703 -2.359 -1.005 1.00 0.00 H new ATOM 0 HB1 ALA A 33 16.583 -4.240 -2.607 1.00 0.00 H new ATOM 0 HB2 ALA A 33 15.020 -3.402 -2.454 1.00 0.00 H new ATOM 0 HB3 ALA A 33 16.049 -3.114 -3.877 1.00 0.00 H new ATOM 479 N GLU A 34 19.063 -2.770 -1.773 1.00 0.00 N ATOM 480 CA GLU A 34 20.490 -2.762 -2.072 1.00 0.00 C ATOM 481 C GLU A 34 20.981 -4.164 -2.423 1.00 0.00 C ATOM 482 O GLU A 34 21.705 -4.352 -3.400 1.00 0.00 O ATOM 483 CB GLU A 34 21.280 -2.218 -0.879 1.00 0.00 C ATOM 484 CG GLU A 34 20.756 -0.891 -0.357 1.00 0.00 C ATOM 485 CD GLU A 34 21.245 -0.581 1.044 1.00 0.00 C ATOM 486 OE1 GLU A 34 21.196 -1.485 1.904 1.00 0.00 O ATOM 487 OE2 GLU A 34 21.679 0.566 1.281 1.00 0.00 O ATOM 0 H GLU A 34 18.802 -3.350 -0.976 1.00 0.00 H new ATOM 0 HA GLU A 34 20.651 -2.113 -2.933 1.00 0.00 H new ATOM 0 HB2 GLU A 34 21.255 -2.951 -0.073 1.00 0.00 H new ATOM 0 HB3 GLU A 34 22.324 -2.098 -1.169 1.00 0.00 H new ATOM 0 HG2 GLU A 34 21.066 -0.092 -1.031 1.00 0.00 H new ATOM 0 HG3 GLU A 34 19.666 -0.908 -0.362 1.00 0.00 H new ATOM 494 N ASP A 35 20.581 -5.143 -1.620 1.00 0.00 N ATOM 495 CA ASP A 35 20.978 -6.528 -1.845 1.00 0.00 C ATOM 496 C ASP A 35 19.984 -7.237 -2.759 1.00 0.00 C ATOM 497 O ASP A 35 18.798 -7.341 -2.441 1.00 0.00 O ATOM 498 CB ASP A 35 21.087 -7.272 -0.514 1.00 0.00 C ATOM 499 CG ASP A 35 21.824 -6.470 0.540 1.00 0.00 C ATOM 500 OD1 ASP A 35 23.003 -6.126 0.308 1.00 0.00 O ATOM 501 OD2 ASP A 35 21.223 -6.184 1.596 1.00 0.00 O ATOM 0 H ASP A 35 19.982 -5.003 -0.807 1.00 0.00 H new ATOM 0 HA ASP A 35 21.953 -6.526 -2.332 1.00 0.00 H new ATOM 0 HB2 ASP A 35 20.087 -7.510 -0.152 1.00 0.00 H new ATOM 0 HB3 ASP A 35 21.603 -8.219 -0.672 1.00 0.00 H new ATOM 506 N LEU A 36 20.473 -7.722 -3.894 1.00 0.00 N ATOM 507 CA LEU A 36 19.627 -8.420 -4.856 1.00 0.00 C ATOM 508 C LEU A 36 19.122 -9.739 -4.279 1.00 0.00 C ATOM 509 O LEU A 36 17.931 -10.046 -4.354 1.00 0.00 O ATOM 510 CB LEU A 36 20.399 -8.680 -6.151 1.00 0.00 C ATOM 511 CG LEU A 36 20.999 -7.449 -6.832 1.00 0.00 C ATOM 512 CD1 LEU A 36 21.836 -7.859 -8.034 1.00 0.00 C ATOM 513 CD2 LEU A 36 19.901 -6.482 -7.250 1.00 0.00 C ATOM 0 H LEU A 36 21.452 -7.645 -4.171 1.00 0.00 H new ATOM 0 HA LEU A 36 18.768 -7.786 -5.074 1.00 0.00 H new ATOM 0 HB2 LEU A 36 21.206 -9.381 -5.935 1.00 0.00 H new ATOM 0 HB3 LEU A 36 19.730 -9.172 -6.857 1.00 0.00 H new ATOM 0 HG LEU A 36 21.649 -6.943 -6.118 1.00 0.00 H new ATOM 0 HD11 LEU A 36 22.255 -6.970 -8.506 1.00 0.00 H new ATOM 0 HD12 LEU A 36 22.645 -8.512 -7.708 1.00 0.00 H new ATOM 0 HD13 LEU A 36 21.208 -8.389 -8.751 1.00 0.00 H new ATOM 0 HD21 LEU A 36 20.347 -5.612 -7.733 1.00 0.00 H new ATOM 0 HD22 LEU A 36 19.226 -6.978 -7.947 1.00 0.00 H new ATOM 0 HD23 LEU A 36 19.343 -6.162 -6.370 1.00 0.00 H new ATOM 525 N LEU A 37 20.033 -10.514 -3.702 1.00 0.00 N ATOM 526 CA LEU A 37 19.680 -11.799 -3.109 1.00 0.00 C ATOM 527 C LEU A 37 18.490 -11.655 -2.166 1.00 0.00 C ATOM 528 O LEU A 37 17.598 -12.505 -2.142 1.00 0.00 O ATOM 529 CB LEU A 37 20.876 -12.381 -2.353 1.00 0.00 C ATOM 530 CG LEU A 37 22.188 -12.463 -3.135 1.00 0.00 C ATOM 531 CD1 LEU A 37 23.375 -12.479 -2.184 1.00 0.00 C ATOM 532 CD2 LEU A 37 22.201 -13.694 -4.028 1.00 0.00 C ATOM 0 H LEU A 37 21.022 -10.275 -3.632 1.00 0.00 H new ATOM 0 HA LEU A 37 19.402 -12.478 -3.915 1.00 0.00 H new ATOM 0 HB2 LEU A 37 21.045 -11.778 -1.461 1.00 0.00 H new ATOM 0 HB3 LEU A 37 20.614 -13.384 -2.015 1.00 0.00 H new ATOM 0 HG LEU A 37 22.267 -11.579 -3.768 1.00 0.00 H new ATOM 0 HD11 LEU A 37 24.300 -12.538 -2.758 1.00 0.00 H new ATOM 0 HD12 LEU A 37 23.375 -11.567 -1.587 1.00 0.00 H new ATOM 0 HD13 LEU A 37 23.301 -13.344 -1.525 1.00 0.00 H new ATOM 0 HD21 LEU A 37 23.142 -13.736 -4.577 1.00 0.00 H new ATOM 0 HD22 LEU A 37 22.098 -14.589 -3.415 1.00 0.00 H new ATOM 0 HD23 LEU A 37 21.372 -13.640 -4.734 1.00 0.00 H new ATOM 544 N ARG A 38 18.481 -10.575 -1.393 1.00 0.00 N ATOM 545 CA ARG A 38 17.399 -10.319 -0.449 1.00 0.00 C ATOM 546 C ARG A 38 16.197 -9.699 -1.155 1.00 0.00 C ATOM 547 O ARG A 38 16.346 -8.817 -2.001 1.00 0.00 O ATOM 548 CB ARG A 38 17.879 -9.394 0.671 1.00 0.00 C ATOM 549 CG ARG A 38 19.227 -9.789 1.251 1.00 0.00 C ATOM 550 CD ARG A 38 19.133 -11.081 2.048 1.00 0.00 C ATOM 551 NE ARG A 38 20.438 -11.516 2.540 1.00 0.00 N ATOM 552 CZ ARG A 38 20.596 -12.406 3.513 1.00 0.00 C ATOM 553 NH1 ARG A 38 19.538 -12.952 4.096 1.00 0.00 N ATOM 554 NH2 ARG A 38 21.816 -12.751 3.906 1.00 0.00 N ATOM 0 H ARG A 38 19.211 -9.862 -1.401 1.00 0.00 H new ATOM 0 HA ARG A 38 17.094 -11.272 -0.018 1.00 0.00 H new ATOM 0 HB2 ARG A 38 17.942 -8.376 0.288 1.00 0.00 H new ATOM 0 HB3 ARG A 38 17.137 -9.389 1.469 1.00 0.00 H new ATOM 0 HG2 ARG A 38 19.950 -9.909 0.444 1.00 0.00 H new ATOM 0 HG3 ARG A 38 19.596 -8.990 1.894 1.00 0.00 H new ATOM 0 HD2 ARG A 38 18.457 -10.939 2.891 1.00 0.00 H new ATOM 0 HD3 ARG A 38 18.702 -11.863 1.422 1.00 0.00 H new ATOM 0 HE ARG A 38 21.273 -11.114 2.113 1.00 0.00 H new ATOM 0 HH11 ARG A 38 18.599 -12.689 3.798 1.00 0.00 H new ATOM 0 HH12 ARG A 38 19.663 -13.635 4.843 1.00 0.00 H new ATOM 0 HH21 ARG A 38 22.633 -12.333 3.461 1.00 0.00 H new ATOM 0 HH22 ARG A 38 21.937 -13.435 4.653 1.00 0.00 H new ATOM 568 N LYS A 39 15.004 -10.168 -0.803 1.00 0.00 N ATOM 569 CA LYS A 39 13.775 -9.660 -1.401 1.00 0.00 C ATOM 570 C LYS A 39 12.756 -9.299 -0.326 1.00 0.00 C ATOM 571 O LYS A 39 12.332 -10.138 0.469 1.00 0.00 O ATOM 572 CB LYS A 39 13.180 -10.700 -2.354 1.00 0.00 C ATOM 573 CG LYS A 39 11.891 -10.249 -3.018 1.00 0.00 C ATOM 574 CD LYS A 39 11.028 -11.432 -3.423 1.00 0.00 C ATOM 575 CE LYS A 39 11.343 -11.893 -4.838 1.00 0.00 C ATOM 576 NZ LYS A 39 11.487 -10.745 -5.776 1.00 0.00 N ATOM 0 H LYS A 39 14.863 -10.899 -0.106 1.00 0.00 H new ATOM 0 HA LYS A 39 14.019 -8.758 -1.963 1.00 0.00 H new ATOM 0 HB2 LYS A 39 13.913 -10.935 -3.125 1.00 0.00 H new ATOM 0 HB3 LYS A 39 12.992 -11.621 -1.802 1.00 0.00 H new ATOM 0 HG2 LYS A 39 11.334 -9.608 -2.335 1.00 0.00 H new ATOM 0 HG3 LYS A 39 12.124 -9.650 -3.898 1.00 0.00 H new ATOM 0 HD2 LYS A 39 11.188 -12.255 -2.727 1.00 0.00 H new ATOM 0 HD3 LYS A 39 9.976 -11.156 -3.355 1.00 0.00 H new ATOM 0 HE2 LYS A 39 12.264 -12.476 -4.833 1.00 0.00 H new ATOM 0 HE3 LYS A 39 10.550 -12.553 -5.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 11.246 -11.052 -6.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 10.847 -9.978 -5.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 12.469 -10.402 -5.757 1.00 0.00 H new ATOM 590 N PRO A 40 12.351 -8.020 -0.299 1.00 0.00 N ATOM 591 CA PRO A 40 11.374 -7.519 0.673 1.00 0.00 C ATOM 592 C PRO A 40 9.972 -8.061 0.418 1.00 0.00 C ATOM 593 O PRO A 40 9.707 -8.662 -0.624 1.00 0.00 O ATOM 594 CB PRO A 40 11.409 -6.004 0.462 1.00 0.00 C ATOM 595 CG PRO A 40 11.869 -5.828 -0.944 1.00 0.00 C ATOM 596 CD PRO A 40 12.814 -6.965 -1.216 1.00 0.00 C ATOM 0 HA PRO A 40 11.616 -7.827 1.690 1.00 0.00 H new ATOM 0 HB2 PRO A 40 10.425 -5.560 0.615 1.00 0.00 H new ATOM 0 HB3 PRO A 40 12.089 -5.522 1.164 1.00 0.00 H new ATOM 0 HG2 PRO A 40 11.027 -5.847 -1.635 1.00 0.00 H new ATOM 0 HG3 PRO A 40 12.367 -4.867 -1.074 1.00 0.00 H new ATOM 0 HD2 PRO A 40 12.766 -7.287 -2.256 1.00 0.00 H new ATOM 0 HD3 PRO A 40 13.848 -6.685 -1.016 1.00 0.00 H new ATOM 604 N THR A 41 9.075 -7.844 1.375 1.00 0.00 N ATOM 605 CA THR A 41 7.700 -8.311 1.254 1.00 0.00 C ATOM 606 C THR A 41 6.712 -7.221 1.656 1.00 0.00 C ATOM 607 O THR A 41 6.866 -6.584 2.698 1.00 0.00 O ATOM 608 CB THR A 41 7.452 -9.558 2.122 1.00 0.00 C ATOM 609 OG1 THR A 41 8.460 -10.542 1.865 1.00 0.00 O ATOM 610 CG2 THR A 41 6.078 -10.148 1.842 1.00 0.00 C ATOM 0 H THR A 41 9.277 -7.347 2.243 1.00 0.00 H new ATOM 0 HA THR A 41 7.545 -8.570 0.207 1.00 0.00 H new ATOM 0 HB THR A 41 7.495 -9.259 3.169 1.00 0.00 H new ATOM 0 HG1 THR A 41 8.296 -11.331 2.422 1.00 0.00 H new ATOM 0 HG21 THR A 41 5.926 -11.028 2.467 1.00 0.00 H new ATOM 0 HG22 THR A 41 5.311 -9.407 2.066 1.00 0.00 H new ATOM 0 HG23 THR A 41 6.011 -10.433 0.792 1.00 0.00 H new ATOM 618 N ILE A 42 5.698 -7.012 0.823 1.00 0.00 N ATOM 619 CA ILE A 42 4.684 -6.001 1.094 1.00 0.00 C ATOM 620 C ILE A 42 3.326 -6.641 1.359 1.00 0.00 C ATOM 621 O ILE A 42 2.898 -7.539 0.633 1.00 0.00 O ATOM 622 CB ILE A 42 4.552 -5.009 -0.077 1.00 0.00 C ATOM 623 CG1 ILE A 42 3.577 -3.886 0.285 1.00 0.00 C ATOM 624 CG2 ILE A 42 4.093 -5.732 -1.334 1.00 0.00 C ATOM 625 CD1 ILE A 42 3.888 -2.573 -0.398 1.00 0.00 C ATOM 0 H ILE A 42 5.557 -7.529 -0.045 1.00 0.00 H new ATOM 0 HA ILE A 42 5.007 -5.460 1.983 1.00 0.00 H new ATOM 0 HB ILE A 42 5.529 -4.567 -0.272 1.00 0.00 H new ATOM 0 HG12 ILE A 42 2.566 -4.194 0.019 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.591 -3.737 1.365 1.00 0.00 H new ATOM 0 HG21 ILE A 42 4.004 -5.018 -2.153 1.00 0.00 H new ATOM 0 HG22 ILE A 42 4.821 -6.499 -1.599 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.124 -6.198 -1.153 1.00 0.00 H new ATOM 0 HD11 ILE A 42 3.157 -1.823 -0.095 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.887 -2.242 -0.113 1.00 0.00 H new ATOM 0 HD13 ILE A 42 3.845 -2.706 -1.479 1.00 0.00 H new ATOM 637 N LYS A 43 2.650 -6.172 2.402 1.00 0.00 N ATOM 638 CA LYS A 43 1.338 -6.695 2.763 1.00 0.00 C ATOM 639 C LYS A 43 0.328 -5.564 2.932 1.00 0.00 C ATOM 640 O LYS A 43 0.486 -4.703 3.798 1.00 0.00 O ATOM 641 CB LYS A 43 1.428 -7.509 4.055 1.00 0.00 C ATOM 642 CG LYS A 43 0.183 -8.329 4.346 1.00 0.00 C ATOM 643 CD LYS A 43 0.262 -9.707 3.711 1.00 0.00 C ATOM 644 CE LYS A 43 1.200 -10.623 4.481 1.00 0.00 C ATOM 645 NZ LYS A 43 1.650 -11.778 3.656 1.00 0.00 N ATOM 0 H LYS A 43 2.990 -5.429 3.013 1.00 0.00 H new ATOM 0 HA LYS A 43 0.999 -7.343 1.955 1.00 0.00 H new ATOM 0 HB2 LYS A 43 2.287 -8.177 3.994 1.00 0.00 H new ATOM 0 HB3 LYS A 43 1.610 -6.832 4.889 1.00 0.00 H new ATOM 0 HG2 LYS A 43 0.057 -8.431 5.424 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.695 -7.804 3.971 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.733 -10.150 3.676 1.00 0.00 H new ATOM 0 HD3 LYS A 43 0.606 -9.615 2.681 1.00 0.00 H new ATOM 0 HE2 LYS A 43 2.068 -10.055 4.815 1.00 0.00 H new ATOM 0 HE3 LYS A 43 0.696 -10.990 5.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 2.288 -12.378 4.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 0.824 -12.335 3.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 2.154 -11.429 2.816 1.00 0.00 H new ATOM 659 N TRP A 44 -0.708 -5.572 2.101 1.00 0.00 N ATOM 660 CA TRP A 44 -1.743 -4.547 2.161 1.00 0.00 C ATOM 661 C TRP A 44 -2.808 -4.908 3.191 1.00 0.00 C ATOM 662 O TRP A 44 -3.210 -6.066 3.303 1.00 0.00 O ATOM 663 CB TRP A 44 -2.388 -4.364 0.786 1.00 0.00 C ATOM 664 CG TRP A 44 -1.395 -4.094 -0.304 1.00 0.00 C ATOM 665 CD1 TRP A 44 -0.611 -5.011 -0.944 1.00 0.00 C ATOM 666 CD2 TRP A 44 -1.079 -2.822 -0.880 1.00 0.00 C ATOM 667 NE1 TRP A 44 0.173 -4.385 -1.883 1.00 0.00 N ATOM 668 CE2 TRP A 44 -0.095 -3.042 -1.864 1.00 0.00 C ATOM 669 CE3 TRP A 44 -1.532 -1.518 -0.662 1.00 0.00 C ATOM 670 CZ2 TRP A 44 0.441 -2.007 -2.625 1.00 0.00 C ATOM 671 CZ3 TRP A 44 -0.998 -0.492 -1.418 1.00 0.00 C ATOM 672 CH2 TRP A 44 -0.021 -0.741 -2.390 1.00 0.00 C ATOM 0 H TRP A 44 -0.853 -6.277 1.378 1.00 0.00 H new ATOM 0 HA TRP A 44 -1.275 -3.610 2.463 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -2.956 -5.260 0.537 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -3.099 -3.539 0.833 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -0.608 -6.072 -0.742 1.00 0.00 H new ATOM 0 HE1 TRP A 44 0.846 -4.846 -2.495 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -2.286 -1.316 0.084 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 1.195 -2.197 -3.375 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -1.340 0.520 -1.256 1.00 0.00 H new ATOM 0 HH2 TRP A 44 0.375 0.083 -2.965 1.00 0.00 H new ATOM 683 N PHE A 45 -3.262 -3.909 3.941 1.00 0.00 N ATOM 684 CA PHE A 45 -4.280 -4.123 4.963 1.00 0.00 C ATOM 685 C PHE A 45 -5.392 -3.084 4.847 1.00 0.00 C ATOM 686 O PHE A 45 -5.257 -2.088 4.136 1.00 0.00 O ATOM 687 CB PHE A 45 -3.654 -4.063 6.357 1.00 0.00 C ATOM 688 CG PHE A 45 -2.846 -5.280 6.704 1.00 0.00 C ATOM 689 CD1 PHE A 45 -3.471 -6.472 7.035 1.00 0.00 C ATOM 690 CD2 PHE A 45 -1.461 -5.233 6.700 1.00 0.00 C ATOM 691 CE1 PHE A 45 -2.730 -7.594 7.355 1.00 0.00 C ATOM 692 CE2 PHE A 45 -0.715 -6.352 7.018 1.00 0.00 C ATOM 693 CZ PHE A 45 -1.350 -7.534 7.347 1.00 0.00 C ATOM 0 H PHE A 45 -2.941 -2.944 3.860 1.00 0.00 H new ATOM 0 HA PHE A 45 -4.712 -5.112 4.809 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.015 -3.182 6.422 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -4.445 -3.939 7.097 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -4.550 -6.525 7.043 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -0.959 -4.311 6.445 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -3.229 -8.517 7.611 1.00 0.00 H new ATOM 0 HE2 PHE A 45 0.364 -6.302 7.009 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.769 -8.409 7.597 1.00 0.00 H new ATOM 703 N LYS A 46 -6.493 -3.324 5.551 1.00 0.00 N ATOM 704 CA LYS A 46 -7.630 -2.411 5.530 1.00 0.00 C ATOM 705 C LYS A 46 -8.323 -2.374 6.889 1.00 0.00 C ATOM 706 O LYS A 46 -8.271 -3.339 7.650 1.00 0.00 O ATOM 707 CB LYS A 46 -8.628 -2.831 4.448 1.00 0.00 C ATOM 708 CG LYS A 46 -9.763 -1.842 4.251 1.00 0.00 C ATOM 709 CD LYS A 46 -9.272 -0.548 3.624 1.00 0.00 C ATOM 710 CE LYS A 46 -10.327 0.545 3.703 1.00 0.00 C ATOM 711 NZ LYS A 46 -11.580 0.159 2.997 1.00 0.00 N ATOM 0 H LYS A 46 -6.622 -4.144 6.144 1.00 0.00 H new ATOM 0 HA LYS A 46 -7.258 -1.412 5.304 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -8.097 -2.955 3.504 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -9.046 -3.803 4.709 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -10.529 -2.287 3.616 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -10.231 -1.627 5.212 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -8.366 -0.218 4.131 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -9.007 -0.725 2.582 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -10.550 0.759 4.748 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -9.932 1.463 3.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -11.737 0.800 2.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -11.496 -0.818 2.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -12.383 0.224 3.654 1.00 0.00 H new ATOM 725 N GLY A 47 -8.974 -1.253 7.185 1.00 0.00 N ATOM 726 CA GLY A 47 -9.669 -1.112 8.451 1.00 0.00 C ATOM 727 C GLY A 47 -8.734 -1.208 9.640 1.00 0.00 C ATOM 728 O GLY A 47 -7.731 -0.496 9.711 1.00 0.00 O ATOM 0 H GLY A 47 -9.032 -0.441 6.571 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -10.184 -0.151 8.474 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -10.433 -1.885 8.530 1.00 0.00 H new ATOM 732 N LYS A 48 -9.061 -2.088 10.579 1.00 0.00 N ATOM 733 CA LYS A 48 -8.244 -2.275 11.772 1.00 0.00 C ATOM 734 C LYS A 48 -7.404 -3.544 11.663 1.00 0.00 C ATOM 735 O LYS A 48 -6.175 -3.490 11.702 1.00 0.00 O ATOM 736 CB LYS A 48 -9.131 -2.344 13.018 1.00 0.00 C ATOM 737 CG LYS A 48 -8.350 -2.468 14.314 1.00 0.00 C ATOM 738 CD LYS A 48 -7.527 -1.221 14.591 1.00 0.00 C ATOM 739 CE LYS A 48 -7.385 -0.967 16.084 1.00 0.00 C ATOM 740 NZ LYS A 48 -8.676 -0.553 16.701 1.00 0.00 N ATOM 0 H LYS A 48 -9.888 -2.684 10.537 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.572 -1.421 11.859 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -9.752 -1.449 13.062 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.805 -3.196 12.927 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.040 -2.641 15.140 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.692 -3.335 14.262 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.539 -1.329 14.144 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.999 -0.360 14.118 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.022 -1.871 16.573 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.637 -0.192 16.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.490 -0.057 17.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.183 0.082 16.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.258 -1.395 16.886 1.00 0.00 H new ATOM 754 N TRP A 49 -8.075 -4.682 11.525 1.00 0.00 N ATOM 755 CA TRP A 49 -7.389 -5.964 11.408 1.00 0.00 C ATOM 756 C TRP A 49 -7.880 -6.735 10.188 1.00 0.00 C ATOM 757 O TRP A 49 -8.021 -7.956 10.230 1.00 0.00 O ATOM 758 CB TRP A 49 -7.602 -6.797 12.673 1.00 0.00 C ATOM 759 CG TRP A 49 -7.194 -6.086 13.928 1.00 0.00 C ATOM 760 CD1 TRP A 49 -8.022 -5.525 14.858 1.00 0.00 C ATOM 761 CD2 TRP A 49 -5.857 -5.860 14.388 1.00 0.00 C ATOM 762 NE1 TRP A 49 -7.280 -4.963 15.869 1.00 0.00 N ATOM 763 CE2 TRP A 49 -5.950 -5.156 15.605 1.00 0.00 C ATOM 764 CE3 TRP A 49 -4.592 -6.184 13.893 1.00 0.00 C ATOM 765 CZ2 TRP A 49 -4.824 -4.772 16.330 1.00 0.00 C ATOM 766 CZ3 TRP A 49 -3.476 -5.802 14.612 1.00 0.00 C ATOM 767 CH2 TRP A 49 -3.598 -5.103 15.821 1.00 0.00 C ATOM 0 H TRP A 49 -9.093 -4.743 11.491 1.00 0.00 H new ATOM 0 HA TRP A 49 -6.324 -5.768 11.286 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -8.654 -7.072 12.745 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -7.035 -7.724 12.589 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -9.101 -5.523 14.806 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -7.658 -4.480 16.684 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -4.488 -6.724 12.964 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -4.916 -4.232 17.261 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -2.493 -6.046 14.236 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -2.707 -4.820 16.361 1.00 0.00 H new ATOM 778 N MET A 50 -8.137 -6.014 9.102 1.00 0.00 N ATOM 779 CA MET A 50 -8.611 -6.632 7.869 1.00 0.00 C ATOM 780 C MET A 50 -7.448 -6.930 6.928 1.00 0.00 C ATOM 781 O MET A 50 -6.653 -6.046 6.610 1.00 0.00 O ATOM 782 CB MET A 50 -9.625 -5.721 7.173 1.00 0.00 C ATOM 783 CG MET A 50 -10.672 -6.477 6.372 1.00 0.00 C ATOM 784 SD MET A 50 -11.761 -5.381 5.443 1.00 0.00 S ATOM 785 CE MET A 50 -10.970 -5.400 3.836 1.00 0.00 C ATOM 0 H MET A 50 -8.025 -5.001 9.050 1.00 0.00 H new ATOM 0 HA MET A 50 -9.097 -7.573 8.127 1.00 0.00 H new ATOM 0 HB2 MET A 50 -10.126 -5.109 7.923 1.00 0.00 H new ATOM 0 HB3 MET A 50 -9.093 -5.040 6.509 1.00 0.00 H new ATOM 0 HG2 MET A 50 -10.174 -7.158 5.682 1.00 0.00 H new ATOM 0 HG3 MET A 50 -11.269 -7.089 7.048 1.00 0.00 H new ATOM 0 HE1 MET A 50 -11.052 -4.414 3.378 1.00 0.00 H new ATOM 0 HE2 MET A 50 -9.918 -5.660 3.951 1.00 0.00 H new ATOM 0 HE3 MET A 50 -11.458 -6.138 3.199 1.00 0.00 H new ATOM 795 N ASP A 51 -7.355 -8.180 6.487 1.00 0.00 N ATOM 796 CA ASP A 51 -6.289 -8.594 5.582 1.00 0.00 C ATOM 797 C ASP A 51 -6.769 -8.579 4.134 1.00 0.00 C ATOM 798 O ASP A 51 -7.724 -9.270 3.778 1.00 0.00 O ATOM 799 CB ASP A 51 -5.791 -9.992 5.953 1.00 0.00 C ATOM 800 CG ASP A 51 -4.541 -10.382 5.189 1.00 0.00 C ATOM 801 OD1 ASP A 51 -4.652 -10.676 3.981 1.00 0.00 O ATOM 802 OD2 ASP A 51 -3.451 -10.394 5.800 1.00 0.00 O ATOM 0 H ASP A 51 -8.005 -8.924 6.742 1.00 0.00 H new ATOM 0 HA ASP A 51 -5.466 -7.886 5.680 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -5.586 -10.030 7.023 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -6.577 -10.720 5.753 1.00 0.00 H new ATOM 807 N LEU A 52 -6.102 -7.785 3.304 1.00 0.00 N ATOM 808 CA LEU A 52 -6.461 -7.679 1.894 1.00 0.00 C ATOM 809 C LEU A 52 -5.841 -8.815 1.087 1.00 0.00 C ATOM 810 O LEU A 52 -6.484 -9.389 0.209 1.00 0.00 O ATOM 811 CB LEU A 52 -6.006 -6.331 1.332 1.00 0.00 C ATOM 812 CG LEU A 52 -6.732 -5.098 1.871 1.00 0.00 C ATOM 813 CD1 LEU A 52 -6.138 -3.828 1.283 1.00 0.00 C ATOM 814 CD2 LEU A 52 -8.222 -5.183 1.569 1.00 0.00 C ATOM 0 H LEU A 52 -5.310 -7.205 3.583 1.00 0.00 H new ATOM 0 HA LEU A 52 -7.546 -7.752 1.814 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -4.941 -6.217 1.533 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -6.125 -6.353 0.249 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.602 -5.067 2.953 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -6.668 -2.961 1.679 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -5.083 -3.762 1.551 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.236 -3.849 0.198 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -8.723 -4.298 1.960 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -8.372 -5.239 0.491 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -8.639 -6.073 2.040 1.00 0.00 H new ATOM 826 N ALA A 53 -4.588 -9.136 1.392 1.00 0.00 N ATOM 827 CA ALA A 53 -3.883 -10.206 0.698 1.00 0.00 C ATOM 828 C ALA A 53 -4.786 -11.417 0.495 1.00 0.00 C ATOM 829 O ALA A 53 -4.792 -12.027 -0.574 1.00 0.00 O ATOM 830 CB ALA A 53 -2.632 -10.601 1.470 1.00 0.00 C ATOM 0 H ALA A 53 -4.040 -8.670 2.115 1.00 0.00 H new ATOM 0 HA ALA A 53 -3.589 -9.837 -0.284 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -2.115 -11.401 0.940 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.971 -9.738 1.558 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -2.912 -10.947 2.465 1.00 0.00 H new ATOM 836 N SER A 54 -5.549 -11.761 1.528 1.00 0.00 N ATOM 837 CA SER A 54 -6.453 -12.903 1.464 1.00 0.00 C ATOM 838 C SER A 54 -7.653 -12.596 0.573 1.00 0.00 C ATOM 839 O SER A 54 -8.167 -13.474 -0.120 1.00 0.00 O ATOM 840 CB SER A 54 -6.930 -13.282 2.868 1.00 0.00 C ATOM 841 OG SER A 54 -7.609 -14.526 2.857 1.00 0.00 O ATOM 0 H SER A 54 -5.559 -11.265 2.419 1.00 0.00 H new ATOM 0 HA SER A 54 -5.908 -13.743 1.034 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.076 -13.336 3.543 1.00 0.00 H new ATOM 0 HB3 SER A 54 -7.592 -12.506 3.252 1.00 0.00 H new ATOM 0 HG SER A 54 -7.902 -14.747 3.766 1.00 0.00 H new ATOM 847 N LYS A 55 -8.094 -11.343 0.597 1.00 0.00 N ATOM 848 CA LYS A 55 -9.233 -10.917 -0.209 1.00 0.00 C ATOM 849 C LYS A 55 -8.907 -10.997 -1.697 1.00 0.00 C ATOM 850 O LYS A 55 -9.768 -11.319 -2.514 1.00 0.00 O ATOM 851 CB LYS A 55 -9.638 -9.488 0.160 1.00 0.00 C ATOM 852 CG LYS A 55 -9.954 -9.307 1.634 1.00 0.00 C ATOM 853 CD LYS A 55 -11.329 -9.852 1.982 1.00 0.00 C ATOM 854 CE LYS A 55 -11.935 -9.120 3.170 1.00 0.00 C ATOM 855 NZ LYS A 55 -13.014 -9.914 3.819 1.00 0.00 N ATOM 0 H LYS A 55 -7.680 -10.604 1.166 1.00 0.00 H new ATOM 0 HA LYS A 55 -10.066 -11.589 -0.001 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -8.832 -8.808 -0.116 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -10.511 -9.203 -0.428 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -9.198 -9.814 2.234 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -9.906 -8.249 1.890 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -11.988 -9.756 1.119 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -11.253 -10.915 2.209 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -11.155 -8.903 3.900 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -12.337 -8.162 2.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -13.401 -9.381 4.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -13.771 -10.099 3.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -12.625 -10.817 4.157 1.00 0.00 H new ATOM 869 N ALA A 56 -7.657 -10.703 -2.040 1.00 0.00 N ATOM 870 CA ALA A 56 -7.217 -10.745 -3.429 1.00 0.00 C ATOM 871 C ALA A 56 -7.519 -12.100 -4.060 1.00 0.00 C ATOM 872 O ALA A 56 -6.931 -13.114 -3.687 1.00 0.00 O ATOM 873 CB ALA A 56 -5.730 -10.438 -3.521 1.00 0.00 C ATOM 0 H ALA A 56 -6.932 -10.433 -1.375 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.769 -9.985 -3.982 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.415 -10.473 -4.564 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -5.538 -9.444 -3.117 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.170 -11.177 -2.948 1.00 0.00 H new ATOM 879 N GLY A 57 -8.441 -12.110 -5.018 1.00 0.00 N ATOM 880 CA GLY A 57 -8.805 -13.346 -5.684 1.00 0.00 C ATOM 881 C GLY A 57 -9.429 -13.109 -7.045 1.00 0.00 C ATOM 882 O GLY A 57 -8.925 -13.590 -8.061 1.00 0.00 O ATOM 0 H GLY A 57 -8.942 -11.284 -5.344 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -7.918 -13.969 -5.798 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -9.505 -13.900 -5.058 1.00 0.00 H new ATOM 886 N LYS A 58 -10.531 -12.367 -7.068 1.00 0.00 N ATOM 887 CA LYS A 58 -11.227 -12.067 -8.314 1.00 0.00 C ATOM 888 C LYS A 58 -11.499 -10.571 -8.439 1.00 0.00 C ATOM 889 O LYS A 58 -11.067 -9.929 -9.396 1.00 0.00 O ATOM 890 CB LYS A 58 -12.543 -12.844 -8.388 1.00 0.00 C ATOM 891 CG LYS A 58 -13.312 -12.618 -9.678 1.00 0.00 C ATOM 892 CD LYS A 58 -14.246 -13.777 -9.981 1.00 0.00 C ATOM 893 CE LYS A 58 -15.568 -13.636 -9.243 1.00 0.00 C ATOM 894 NZ LYS A 58 -16.476 -14.786 -9.506 1.00 0.00 N ATOM 0 H LYS A 58 -10.962 -11.962 -6.237 1.00 0.00 H new ATOM 0 HA LYS A 58 -10.586 -12.372 -9.141 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -12.333 -13.908 -8.282 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -13.172 -12.558 -7.545 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -13.888 -11.696 -9.602 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -12.611 -12.489 -10.503 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -14.431 -13.826 -11.054 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -13.768 -14.715 -9.697 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -15.380 -13.560 -8.172 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -16.057 -12.711 -9.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -17.366 -14.652 -8.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -16.677 -14.844 -10.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -16.021 -15.667 -9.192 1.00 0.00 H new ATOM 908 N HIS A 59 -12.217 -10.022 -7.464 1.00 0.00 N ATOM 909 CA HIS A 59 -12.545 -8.601 -7.464 1.00 0.00 C ATOM 910 C HIS A 59 -11.302 -7.757 -7.195 1.00 0.00 C ATOM 911 O HIS A 59 -11.219 -6.603 -7.618 1.00 0.00 O ATOM 912 CB HIS A 59 -13.615 -8.303 -6.413 1.00 0.00 C ATOM 913 CG HIS A 59 -15.002 -8.654 -6.855 1.00 0.00 C ATOM 914 ND1 HIS A 59 -15.947 -7.708 -7.191 1.00 0.00 N ATOM 915 CD2 HIS A 59 -15.602 -9.857 -7.018 1.00 0.00 C ATOM 916 CE1 HIS A 59 -17.069 -8.313 -7.539 1.00 0.00 C ATOM 917 NE2 HIS A 59 -16.885 -9.618 -7.443 1.00 0.00 N ATOM 0 H HIS A 59 -12.582 -10.539 -6.665 1.00 0.00 H new ATOM 0 HA HIS A 59 -12.932 -8.342 -8.449 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -13.382 -8.855 -5.502 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -13.580 -7.243 -6.161 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -15.154 -10.825 -6.846 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -17.981 -7.824 -7.849 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -17.583 -10.332 -7.651 1.00 0.00 H new ATOM 926 N LEU A 60 -10.339 -8.339 -6.489 1.00 0.00 N ATOM 927 CA LEU A 60 -9.101 -7.640 -6.163 1.00 0.00 C ATOM 928 C LEU A 60 -7.887 -8.431 -6.639 1.00 0.00 C ATOM 929 O LEU A 60 -7.891 -9.662 -6.621 1.00 0.00 O ATOM 930 CB LEU A 60 -9.009 -7.402 -4.654 1.00 0.00 C ATOM 931 CG LEU A 60 -7.645 -6.954 -4.128 1.00 0.00 C ATOM 932 CD1 LEU A 60 -7.547 -5.436 -4.121 1.00 0.00 C ATOM 933 CD2 LEU A 60 -7.402 -7.512 -2.733 1.00 0.00 C ATOM 0 H LEU A 60 -10.392 -9.293 -6.131 1.00 0.00 H new ATOM 0 HA LEU A 60 -9.109 -6.679 -6.677 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.747 -6.649 -4.379 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -9.288 -8.323 -4.143 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.875 -7.344 -4.793 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -6.569 -5.136 -3.744 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -7.676 -5.058 -5.135 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.326 -5.024 -3.479 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -6.427 -7.183 -2.374 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -8.178 -7.152 -2.057 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -7.428 -8.601 -2.767 1.00 0.00 H new ATOM 945 N GLN A 61 -6.850 -7.716 -7.064 1.00 0.00 N ATOM 946 CA GLN A 61 -5.629 -8.352 -7.544 1.00 0.00 C ATOM 947 C GLN A 61 -4.409 -7.490 -7.237 1.00 0.00 C ATOM 948 O GLN A 61 -4.359 -6.315 -7.601 1.00 0.00 O ATOM 949 CB GLN A 61 -5.721 -8.610 -9.049 1.00 0.00 C ATOM 950 CG GLN A 61 -6.839 -9.565 -9.436 1.00 0.00 C ATOM 951 CD GLN A 61 -6.439 -11.020 -9.292 1.00 0.00 C ATOM 952 OE1 GLN A 61 -5.798 -11.590 -10.175 1.00 0.00 O ATOM 953 NE2 GLN A 61 -6.817 -11.630 -8.175 1.00 0.00 N ATOM 0 H GLN A 61 -6.831 -6.696 -7.086 1.00 0.00 H new ATOM 0 HA GLN A 61 -5.517 -9.304 -7.026 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -5.871 -7.661 -9.563 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -4.771 -9.015 -9.398 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -7.712 -9.369 -8.813 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -7.134 -9.374 -10.468 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -7.347 -11.119 -7.469 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -6.577 -12.610 -8.023 1.00 0.00 H new ATOM 962 N LEU A 62 -3.427 -8.082 -6.566 1.00 0.00 N ATOM 963 CA LEU A 62 -2.206 -7.368 -6.209 1.00 0.00 C ATOM 964 C LEU A 62 -1.125 -7.577 -7.264 1.00 0.00 C ATOM 965 O LEU A 62 -1.206 -8.497 -8.078 1.00 0.00 O ATOM 966 CB LEU A 62 -1.699 -7.835 -4.844 1.00 0.00 C ATOM 967 CG LEU A 62 -2.751 -7.948 -3.740 1.00 0.00 C ATOM 968 CD1 LEU A 62 -2.147 -8.564 -2.488 1.00 0.00 C ATOM 969 CD2 LEU A 62 -3.349 -6.584 -3.430 1.00 0.00 C ATOM 0 H LEU A 62 -3.452 -9.054 -6.258 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.438 -6.304 -6.159 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.226 -8.809 -4.968 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.924 -7.144 -4.511 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.550 -8.601 -4.092 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.910 -8.636 -1.713 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.769 -9.560 -2.719 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.328 -7.938 -2.133 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -4.095 -6.685 -2.642 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.561 -5.908 -3.099 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.820 -6.181 -4.327 1.00 0.00 H new ATOM 981 N LYS A 63 -0.112 -6.717 -7.245 1.00 0.00 N ATOM 982 CA LYS A 63 0.988 -6.808 -8.197 1.00 0.00 C ATOM 983 C LYS A 63 2.329 -6.593 -7.502 1.00 0.00 C ATOM 984 O LYS A 63 2.424 -5.828 -6.543 1.00 0.00 O ATOM 985 CB LYS A 63 0.810 -5.778 -9.314 1.00 0.00 C ATOM 986 CG LYS A 63 1.371 -6.228 -10.652 1.00 0.00 C ATOM 987 CD LYS A 63 0.973 -5.280 -11.771 1.00 0.00 C ATOM 988 CE LYS A 63 1.891 -5.424 -12.976 1.00 0.00 C ATOM 989 NZ LYS A 63 1.732 -4.293 -13.932 1.00 0.00 N ATOM 0 H LYS A 63 -0.030 -5.948 -6.580 1.00 0.00 H new ATOM 0 HA LYS A 63 0.979 -7.809 -8.629 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.252 -5.560 -9.430 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.296 -4.848 -9.020 1.00 0.00 H new ATOM 0 HG2 LYS A 63 2.458 -6.285 -10.591 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.012 -7.232 -10.879 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -0.056 -5.480 -12.070 1.00 0.00 H new ATOM 0 HD3 LYS A 63 1.006 -4.253 -11.408 1.00 0.00 H new ATOM 0 HE2 LYS A 63 2.927 -5.473 -12.640 1.00 0.00 H new ATOM 0 HE3 LYS A 63 1.677 -6.363 -13.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 2.374 -4.428 -14.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 0.750 -4.262 -14.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 1.961 -3.399 -13.453 1.00 0.00 H new ATOM 1003 N GLU A 64 3.361 -7.271 -7.994 1.00 0.00 N ATOM 1004 CA GLU A 64 4.696 -7.152 -7.419 1.00 0.00 C ATOM 1005 C GLU A 64 5.767 -7.431 -8.469 1.00 0.00 C ATOM 1006 O GLU A 64 5.722 -8.446 -9.165 1.00 0.00 O ATOM 1007 CB GLU A 64 4.856 -8.116 -6.242 1.00 0.00 C ATOM 1008 CG GLU A 64 6.305 -8.411 -5.889 1.00 0.00 C ATOM 1009 CD GLU A 64 6.446 -9.573 -4.925 1.00 0.00 C ATOM 1010 OE1 GLU A 64 5.538 -9.765 -4.090 1.00 0.00 O ATOM 1011 OE2 GLU A 64 7.465 -10.290 -5.006 1.00 0.00 O ATOM 0 H GLU A 64 3.299 -7.908 -8.788 1.00 0.00 H new ATOM 0 HA GLU A 64 4.820 -6.130 -7.061 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.356 -7.696 -5.369 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.351 -9.052 -6.479 1.00 0.00 H new ATOM 0 HG2 GLU A 64 6.860 -8.631 -6.801 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.756 -7.522 -5.449 1.00 0.00 H new ATOM 1018 N THR A 65 6.731 -6.522 -8.578 1.00 0.00 N ATOM 1019 CA THR A 65 7.813 -6.668 -9.544 1.00 0.00 C ATOM 1020 C THR A 65 9.134 -6.169 -8.969 1.00 0.00 C ATOM 1021 O THR A 65 9.156 -5.455 -7.966 1.00 0.00 O ATOM 1022 CB THR A 65 7.511 -5.904 -10.846 1.00 0.00 C ATOM 1023 OG1 THR A 65 8.487 -6.229 -11.843 1.00 0.00 O ATOM 1024 CG2 THR A 65 7.508 -4.402 -10.604 1.00 0.00 C ATOM 0 H THR A 65 6.784 -5.677 -8.009 1.00 0.00 H new ATOM 0 HA THR A 65 7.896 -7.732 -9.767 1.00 0.00 H new ATOM 0 HB THR A 65 6.522 -6.202 -11.195 1.00 0.00 H new ATOM 0 HG1 THR A 65 8.287 -5.740 -12.668 1.00 0.00 H new ATOM 0 HG21 THR A 65 7.292 -3.883 -11.538 1.00 0.00 H new ATOM 0 HG22 THR A 65 6.745 -4.154 -9.867 1.00 0.00 H new ATOM 0 HG23 THR A 65 8.485 -4.091 -10.234 1.00 0.00 H new ATOM 1032 N PHE A 66 10.234 -6.546 -9.611 1.00 0.00 N ATOM 1033 CA PHE A 66 11.560 -6.136 -9.164 1.00 0.00 C ATOM 1034 C PHE A 66 12.333 -5.465 -10.295 1.00 0.00 C ATOM 1035 O PHE A 66 12.197 -5.839 -11.460 1.00 0.00 O ATOM 1036 CB PHE A 66 12.342 -7.344 -8.643 1.00 0.00 C ATOM 1037 CG PHE A 66 13.785 -7.043 -8.352 1.00 0.00 C ATOM 1038 CD1 PHE A 66 14.132 -6.133 -7.367 1.00 0.00 C ATOM 1039 CD2 PHE A 66 14.794 -7.672 -9.064 1.00 0.00 C ATOM 1040 CE1 PHE A 66 15.458 -5.854 -7.097 1.00 0.00 C ATOM 1041 CE2 PHE A 66 16.122 -7.398 -8.797 1.00 0.00 C ATOM 1042 CZ PHE A 66 16.455 -6.487 -7.813 1.00 0.00 C ATOM 0 H PHE A 66 10.234 -7.135 -10.443 1.00 0.00 H new ATOM 0 HA PHE A 66 11.436 -5.415 -8.356 1.00 0.00 H new ATOM 0 HB2 PHE A 66 11.865 -7.711 -7.734 1.00 0.00 H new ATOM 0 HB3 PHE A 66 12.288 -8.147 -9.378 1.00 0.00 H new ATOM 0 HD1 PHE A 66 13.357 -5.636 -6.803 1.00 0.00 H new ATOM 0 HD2 PHE A 66 14.540 -8.384 -9.836 1.00 0.00 H new ATOM 0 HE1 PHE A 66 15.715 -5.142 -6.327 1.00 0.00 H new ATOM 0 HE2 PHE A 66 16.899 -7.896 -9.357 1.00 0.00 H new ATOM 0 HZ PHE A 66 17.492 -6.270 -7.604 1.00 0.00 H new ATOM 1052 N GLU A 67 13.143 -4.471 -9.943 1.00 0.00 N ATOM 1053 CA GLU A 67 13.936 -3.747 -10.929 1.00 0.00 C ATOM 1054 C GLU A 67 15.400 -3.677 -10.504 1.00 0.00 C ATOM 1055 O GLU A 67 15.809 -2.755 -9.798 1.00 0.00 O ATOM 1056 CB GLU A 67 13.382 -2.334 -11.124 1.00 0.00 C ATOM 1057 CG GLU A 67 12.274 -2.252 -12.161 1.00 0.00 C ATOM 1058 CD GLU A 67 11.973 -0.827 -12.582 1.00 0.00 C ATOM 1059 OE1 GLU A 67 11.489 -0.048 -11.735 1.00 0.00 O ATOM 1060 OE2 GLU A 67 12.222 -0.491 -13.759 1.00 0.00 O ATOM 0 H GLU A 67 13.267 -4.149 -8.983 1.00 0.00 H new ATOM 0 HA GLU A 67 13.875 -4.287 -11.874 1.00 0.00 H new ATOM 0 HB2 GLU A 67 13.003 -1.967 -10.170 1.00 0.00 H new ATOM 0 HB3 GLU A 67 14.195 -1.672 -11.421 1.00 0.00 H new ATOM 0 HG2 GLU A 67 12.559 -2.833 -13.038 1.00 0.00 H new ATOM 0 HG3 GLU A 67 11.369 -2.706 -11.757 1.00 0.00 H new ATOM 1067 N ARG A 68 16.184 -4.657 -10.940 1.00 0.00 N ATOM 1068 CA ARG A 68 17.602 -4.709 -10.604 1.00 0.00 C ATOM 1069 C ARG A 68 18.328 -3.470 -11.120 1.00 0.00 C ATOM 1070 O ARG A 68 19.289 -3.001 -10.509 1.00 0.00 O ATOM 1071 CB ARG A 68 18.241 -5.969 -11.189 1.00 0.00 C ATOM 1072 CG ARG A 68 17.607 -6.424 -12.494 1.00 0.00 C ATOM 1073 CD ARG A 68 16.534 -7.475 -12.254 1.00 0.00 C ATOM 1074 NE ARG A 68 15.576 -7.539 -13.355 1.00 0.00 N ATOM 1075 CZ ARG A 68 14.782 -8.580 -13.578 1.00 0.00 C ATOM 1076 NH1 ARG A 68 14.831 -9.638 -12.780 1.00 0.00 N ATOM 1077 NH2 ARG A 68 13.936 -8.564 -14.600 1.00 0.00 N ATOM 0 H ARG A 68 15.861 -5.426 -11.527 1.00 0.00 H new ATOM 0 HA ARG A 68 17.692 -4.736 -9.518 1.00 0.00 H new ATOM 0 HB2 ARG A 68 19.302 -5.784 -11.356 1.00 0.00 H new ATOM 0 HB3 ARG A 68 18.169 -6.775 -10.459 1.00 0.00 H new ATOM 0 HG2 ARG A 68 17.170 -5.567 -13.006 1.00 0.00 H new ATOM 0 HG3 ARG A 68 18.376 -6.830 -13.151 1.00 0.00 H new ATOM 0 HD2 ARG A 68 17.004 -8.450 -12.125 1.00 0.00 H new ATOM 0 HD3 ARG A 68 16.007 -7.250 -11.327 1.00 0.00 H new ATOM 0 HE ARG A 68 15.514 -6.741 -13.987 1.00 0.00 H new ATOM 0 HH11 ARG A 68 15.479 -9.653 -11.993 1.00 0.00 H new ATOM 0 HH12 ARG A 68 14.220 -10.436 -12.953 1.00 0.00 H new ATOM 0 HH21 ARG A 68 13.895 -7.752 -15.215 1.00 0.00 H new ATOM 0 HH22 ARG A 68 13.327 -9.364 -14.770 1.00 0.00 H new ATOM 1091 N HIS A 69 17.862 -2.945 -12.249 1.00 0.00 N ATOM 1092 CA HIS A 69 18.467 -1.760 -12.848 1.00 0.00 C ATOM 1093 C HIS A 69 18.897 -0.767 -11.772 1.00 0.00 C ATOM 1094 O HIS A 69 20.025 -0.274 -11.784 1.00 0.00 O ATOM 1095 CB HIS A 69 17.486 -1.093 -13.812 1.00 0.00 C ATOM 1096 CG HIS A 69 16.780 -2.059 -14.713 1.00 0.00 C ATOM 1097 ND1 HIS A 69 15.626 -2.720 -14.350 1.00 0.00 N ATOM 1098 CD2 HIS A 69 17.071 -2.473 -15.968 1.00 0.00 C ATOM 1099 CE1 HIS A 69 15.238 -3.501 -15.343 1.00 0.00 C ATOM 1100 NE2 HIS A 69 16.098 -3.369 -16.337 1.00 0.00 N ATOM 0 H HIS A 69 17.068 -3.321 -12.767 1.00 0.00 H new ATOM 0 HA HIS A 69 19.352 -2.074 -13.402 1.00 0.00 H new ATOM 0 HB2 HIS A 69 16.745 -0.538 -13.237 1.00 0.00 H new ATOM 0 HB3 HIS A 69 18.025 -0.368 -14.422 1.00 0.00 H new ATOM 0 HD2 HIS A 69 17.912 -2.157 -16.568 1.00 0.00 H new ATOM 0 HE1 HIS A 69 14.366 -4.139 -15.342 1.00 0.00 H new ATOM 0 HE2 HIS A 69 16.048 -3.854 -17.233 1.00 0.00 H new ATOM 1109 N SER A 70 17.990 -0.478 -10.844 1.00 0.00 N ATOM 1110 CA SER A 70 18.274 0.460 -9.764 1.00 0.00 C ATOM 1111 C SER A 70 18.177 -0.230 -8.406 1.00 0.00 C ATOM 1112 O SER A 70 18.319 0.408 -7.363 1.00 0.00 O ATOM 1113 CB SER A 70 17.305 1.642 -9.819 1.00 0.00 C ATOM 1114 OG SER A 70 17.339 2.271 -11.088 1.00 0.00 O ATOM 0 H SER A 70 17.053 -0.880 -10.818 1.00 0.00 H new ATOM 0 HA SER A 70 19.292 0.828 -9.893 1.00 0.00 H new ATOM 0 HB2 SER A 70 16.293 1.297 -9.608 1.00 0.00 H new ATOM 0 HB3 SER A 70 17.563 2.364 -9.045 1.00 0.00 H new ATOM 0 HG SER A 70 16.710 3.022 -11.098 1.00 0.00 H new ATOM 1120 N ARG A 71 17.934 -1.536 -8.429 1.00 0.00 N ATOM 1121 CA ARG A 71 17.816 -2.313 -7.201 1.00 0.00 C ATOM 1122 C ARG A 71 16.631 -1.836 -6.367 1.00 0.00 C ATOM 1123 O ARG A 71 16.724 -1.722 -5.145 1.00 0.00 O ATOM 1124 CB ARG A 71 19.104 -2.210 -6.382 1.00 0.00 C ATOM 1125 CG ARG A 71 20.345 -2.655 -7.139 1.00 0.00 C ATOM 1126 CD ARG A 71 21.383 -3.254 -6.203 1.00 0.00 C ATOM 1127 NE ARG A 71 22.744 -3.043 -6.690 1.00 0.00 N ATOM 1128 CZ ARG A 71 23.445 -1.938 -6.460 1.00 0.00 C ATOM 1129 NH1 ARG A 71 22.915 -0.949 -5.753 1.00 0.00 N ATOM 1130 NH2 ARG A 71 24.678 -1.822 -6.936 1.00 0.00 N ATOM 0 H ARG A 71 17.815 -2.079 -9.285 1.00 0.00 H new ATOM 0 HA ARG A 71 17.649 -3.355 -7.475 1.00 0.00 H new ATOM 0 HB2 ARG A 71 19.237 -1.178 -6.058 1.00 0.00 H new ATOM 0 HB3 ARG A 71 19.001 -2.816 -5.482 1.00 0.00 H new ATOM 0 HG2 ARG A 71 20.068 -3.390 -7.895 1.00 0.00 H new ATOM 0 HG3 ARG A 71 20.776 -1.804 -7.665 1.00 0.00 H new ATOM 0 HD2 ARG A 71 21.279 -2.809 -5.213 1.00 0.00 H new ATOM 0 HD3 ARG A 71 21.199 -4.323 -6.093 1.00 0.00 H new ATOM 0 HE ARG A 71 23.180 -3.785 -7.237 1.00 0.00 H new ATOM 0 HH11 ARG A 71 21.968 -1.036 -5.385 1.00 0.00 H new ATOM 0 HH12 ARG A 71 23.455 -0.101 -5.577 1.00 0.00 H new ATOM 0 HH21 ARG A 71 25.089 -2.582 -7.479 1.00 0.00 H new ATOM 0 HH22 ARG A 71 25.215 -0.973 -6.759 1.00 0.00 H new ATOM 1144 N VAL A 72 15.517 -1.557 -7.037 1.00 0.00 N ATOM 1145 CA VAL A 72 14.313 -1.093 -6.358 1.00 0.00 C ATOM 1146 C VAL A 72 13.101 -1.928 -6.757 1.00 0.00 C ATOM 1147 O VAL A 72 12.891 -2.214 -7.936 1.00 0.00 O ATOM 1148 CB VAL A 72 14.028 0.388 -6.672 1.00 0.00 C ATOM 1149 CG1 VAL A 72 12.716 0.825 -6.037 1.00 0.00 C ATOM 1150 CG2 VAL A 72 15.177 1.263 -6.197 1.00 0.00 C ATOM 0 H VAL A 72 15.424 -1.644 -8.049 1.00 0.00 H new ATOM 0 HA VAL A 72 14.490 -1.203 -5.288 1.00 0.00 H new ATOM 0 HB VAL A 72 13.937 0.502 -7.752 1.00 0.00 H new ATOM 0 HG11 VAL A 72 12.531 1.874 -6.269 1.00 0.00 H new ATOM 0 HG12 VAL A 72 11.901 0.217 -6.430 1.00 0.00 H new ATOM 0 HG13 VAL A 72 12.775 0.698 -4.956 1.00 0.00 H new ATOM 0 HG21 VAL A 72 14.959 2.306 -6.427 1.00 0.00 H new ATOM 0 HG22 VAL A 72 15.302 1.147 -5.120 1.00 0.00 H new ATOM 0 HG23 VAL A 72 16.095 0.964 -6.703 1.00 0.00 H new ATOM 1160 N TYR A 73 12.305 -2.315 -5.766 1.00 0.00 N ATOM 1161 CA TYR A 73 11.114 -3.119 -6.012 1.00 0.00 C ATOM 1162 C TYR A 73 9.895 -2.231 -6.240 1.00 0.00 C ATOM 1163 O TYR A 73 9.826 -1.109 -5.738 1.00 0.00 O ATOM 1164 CB TYR A 73 10.859 -4.064 -4.837 1.00 0.00 C ATOM 1165 CG TYR A 73 11.845 -5.207 -4.753 1.00 0.00 C ATOM 1166 CD1 TYR A 73 13.108 -5.023 -4.206 1.00 0.00 C ATOM 1167 CD2 TYR A 73 11.512 -6.473 -5.221 1.00 0.00 C ATOM 1168 CE1 TYR A 73 14.012 -6.064 -4.129 1.00 0.00 C ATOM 1169 CE2 TYR A 73 12.409 -7.521 -5.147 1.00 0.00 C ATOM 1170 CZ TYR A 73 13.658 -7.311 -4.600 1.00 0.00 C ATOM 1171 OH TYR A 73 14.556 -8.352 -4.524 1.00 0.00 O ATOM 0 H TYR A 73 12.463 -2.085 -4.785 1.00 0.00 H new ATOM 0 HA TYR A 73 11.284 -3.709 -6.913 1.00 0.00 H new ATOM 0 HB2 TYR A 73 10.897 -3.494 -3.909 1.00 0.00 H new ATOM 0 HB3 TYR A 73 9.851 -4.470 -4.921 1.00 0.00 H new ATOM 0 HD1 TYR A 73 13.388 -4.048 -3.834 1.00 0.00 H new ATOM 0 HD2 TYR A 73 10.535 -6.640 -5.650 1.00 0.00 H new ATOM 0 HE1 TYR A 73 14.991 -5.903 -3.702 1.00 0.00 H new ATOM 0 HE2 TYR A 73 12.134 -8.498 -5.515 1.00 0.00 H new ATOM 0 HH TYR A 73 15.131 -8.231 -3.740 1.00 0.00 H new ATOM 1181 N THR A 74 8.932 -2.743 -7.001 1.00 0.00 N ATOM 1182 CA THR A 74 7.714 -1.998 -7.296 1.00 0.00 C ATOM 1183 C THR A 74 6.475 -2.853 -7.058 1.00 0.00 C ATOM 1184 O THR A 74 6.252 -3.847 -7.749 1.00 0.00 O ATOM 1185 CB THR A 74 7.704 -1.494 -8.752 1.00 0.00 C ATOM 1186 OG1 THR A 74 8.959 -0.882 -9.067 1.00 0.00 O ATOM 1187 CG2 THR A 74 6.578 -0.495 -8.970 1.00 0.00 C ATOM 0 H THR A 74 8.972 -3.670 -7.424 1.00 0.00 H new ATOM 0 HA THR A 74 7.696 -1.142 -6.622 1.00 0.00 H new ATOM 0 HB THR A 74 7.543 -2.349 -9.409 1.00 0.00 H new ATOM 0 HG1 THR A 74 8.945 -0.566 -9.995 1.00 0.00 H new ATOM 0 HG21 THR A 74 6.590 -0.153 -10.005 1.00 0.00 H new ATOM 0 HG22 THR A 74 5.622 -0.973 -8.757 1.00 0.00 H new ATOM 0 HG23 THR A 74 6.714 0.357 -8.304 1.00 0.00 H new ATOM 1195 N PHE A 75 5.671 -2.460 -6.075 1.00 0.00 N ATOM 1196 CA PHE A 75 4.453 -3.191 -5.745 1.00 0.00 C ATOM 1197 C PHE A 75 3.216 -2.349 -6.042 1.00 0.00 C ATOM 1198 O PHE A 75 3.205 -1.141 -5.810 1.00 0.00 O ATOM 1199 CB PHE A 75 4.463 -3.602 -4.272 1.00 0.00 C ATOM 1200 CG PHE A 75 5.816 -4.029 -3.777 1.00 0.00 C ATOM 1201 CD1 PHE A 75 6.349 -5.253 -4.149 1.00 0.00 C ATOM 1202 CD2 PHE A 75 6.554 -3.207 -2.941 1.00 0.00 C ATOM 1203 CE1 PHE A 75 7.594 -5.649 -3.696 1.00 0.00 C ATOM 1204 CE2 PHE A 75 7.799 -3.597 -2.486 1.00 0.00 C ATOM 1205 CZ PHE A 75 8.319 -4.820 -2.863 1.00 0.00 C ATOM 0 H PHE A 75 5.841 -1.640 -5.493 1.00 0.00 H new ATOM 0 HA PHE A 75 4.418 -4.087 -6.364 1.00 0.00 H new ATOM 0 HB2 PHE A 75 4.111 -2.766 -3.668 1.00 0.00 H new ATOM 0 HB3 PHE A 75 3.757 -4.420 -4.127 1.00 0.00 H new ATOM 0 HD1 PHE A 75 5.786 -5.905 -4.800 1.00 0.00 H new ATOM 0 HD2 PHE A 75 6.152 -2.251 -2.642 1.00 0.00 H new ATOM 0 HE1 PHE A 75 7.999 -6.605 -3.993 1.00 0.00 H new ATOM 0 HE2 PHE A 75 8.365 -2.946 -1.836 1.00 0.00 H new ATOM 0 HZ PHE A 75 9.291 -5.127 -2.507 1.00 0.00 H new ATOM 1215 N GLU A 76 2.175 -2.997 -6.556 1.00 0.00 N ATOM 1216 CA GLU A 76 0.934 -2.308 -6.886 1.00 0.00 C ATOM 1217 C GLU A 76 -0.275 -3.101 -6.398 1.00 0.00 C ATOM 1218 O GLU A 76 -0.157 -4.270 -6.031 1.00 0.00 O ATOM 1219 CB GLU A 76 0.834 -2.083 -8.396 1.00 0.00 C ATOM 1220 CG GLU A 76 2.128 -1.594 -9.025 1.00 0.00 C ATOM 1221 CD GLU A 76 3.112 -2.718 -9.285 1.00 0.00 C ATOM 1222 OE1 GLU A 76 3.056 -3.314 -10.381 1.00 0.00 O ATOM 1223 OE2 GLU A 76 3.938 -3.001 -8.392 1.00 0.00 O ATOM 0 H GLU A 76 2.167 -3.998 -6.753 1.00 0.00 H new ATOM 0 HA GLU A 76 0.941 -1.341 -6.382 1.00 0.00 H new ATOM 0 HB2 GLU A 76 0.537 -3.016 -8.875 1.00 0.00 H new ATOM 0 HB3 GLU A 76 0.046 -1.357 -8.595 1.00 0.00 H new ATOM 0 HG2 GLU A 76 1.903 -1.089 -9.964 1.00 0.00 H new ATOM 0 HG3 GLU A 76 2.590 -0.856 -8.369 1.00 0.00 H new ATOM 1230 N MET A 77 -1.437 -2.456 -6.396 1.00 0.00 N ATOM 1231 CA MET A 77 -2.668 -3.101 -5.954 1.00 0.00 C ATOM 1232 C MET A 77 -3.813 -2.806 -6.918 1.00 0.00 C ATOM 1233 O MET A 77 -4.418 -1.736 -6.868 1.00 0.00 O ATOM 1234 CB MET A 77 -3.038 -2.631 -4.546 1.00 0.00 C ATOM 1235 CG MET A 77 -4.352 -3.203 -4.040 1.00 0.00 C ATOM 1236 SD MET A 77 -4.524 -3.072 -2.250 1.00 0.00 S ATOM 1237 CE MET A 77 -4.928 -1.336 -2.075 1.00 0.00 C ATOM 0 H MET A 77 -1.552 -1.488 -6.695 1.00 0.00 H new ATOM 0 HA MET A 77 -2.499 -4.178 -5.937 1.00 0.00 H new ATOM 0 HB2 MET A 77 -2.241 -2.910 -3.857 1.00 0.00 H new ATOM 0 HB3 MET A 77 -3.098 -1.543 -4.539 1.00 0.00 H new ATOM 0 HG2 MET A 77 -5.180 -2.681 -4.520 1.00 0.00 H new ATOM 0 HG3 MET A 77 -4.424 -4.251 -4.332 1.00 0.00 H new ATOM 0 HE1 MET A 77 -4.926 -1.067 -1.019 1.00 0.00 H new ATOM 0 HE2 MET A 77 -4.189 -0.735 -2.605 1.00 0.00 H new ATOM 0 HE3 MET A 77 -5.916 -1.148 -2.495 1.00 0.00 H new ATOM 1247 N GLN A 78 -4.104 -3.762 -7.795 1.00 0.00 N ATOM 1248 CA GLN A 78 -5.175 -3.603 -8.771 1.00 0.00 C ATOM 1249 C GLN A 78 -6.519 -4.010 -8.174 1.00 0.00 C ATOM 1250 O GLN A 78 -6.775 -5.192 -7.946 1.00 0.00 O ATOM 1251 CB GLN A 78 -4.885 -4.437 -10.020 1.00 0.00 C ATOM 1252 CG GLN A 78 -5.264 -3.742 -11.317 1.00 0.00 C ATOM 1253 CD GLN A 78 -5.044 -4.618 -12.535 1.00 0.00 C ATOM 1254 OE1 GLN A 78 -5.976 -4.897 -13.289 1.00 0.00 O ATOM 1255 NE2 GLN A 78 -3.807 -5.057 -12.732 1.00 0.00 N ATOM 0 H GLN A 78 -3.613 -4.654 -7.849 1.00 0.00 H new ATOM 0 HA GLN A 78 -5.225 -2.551 -9.050 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -3.823 -4.681 -10.045 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -5.427 -5.380 -9.951 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -6.312 -3.445 -11.273 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -4.678 -2.829 -11.420 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -3.065 -4.800 -12.081 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -3.598 -5.651 -13.535 1.00 0.00 H new ATOM 1264 N ILE A 79 -7.373 -3.023 -7.924 1.00 0.00 N ATOM 1265 CA ILE A 79 -8.690 -3.279 -7.356 1.00 0.00 C ATOM 1266 C ILE A 79 -9.769 -3.256 -8.434 1.00 0.00 C ATOM 1267 O ILE A 79 -10.026 -2.219 -9.046 1.00 0.00 O ATOM 1268 CB ILE A 79 -9.044 -2.247 -6.269 1.00 0.00 C ATOM 1269 CG1 ILE A 79 -7.979 -2.245 -5.171 1.00 0.00 C ATOM 1270 CG2 ILE A 79 -10.416 -2.545 -5.683 1.00 0.00 C ATOM 1271 CD1 ILE A 79 -8.505 -1.815 -3.819 1.00 0.00 C ATOM 0 H ILE A 79 -7.176 -2.039 -8.106 1.00 0.00 H new ATOM 0 HA ILE A 79 -8.652 -4.271 -6.906 1.00 0.00 H new ATOM 0 HB ILE A 79 -9.072 -1.257 -6.724 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -7.555 -3.246 -5.085 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -7.167 -1.579 -5.465 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -10.652 -1.807 -4.916 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -11.166 -2.501 -6.472 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -10.414 -3.541 -5.240 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -7.695 -1.837 -3.090 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -8.903 -0.803 -3.889 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -9.296 -2.495 -3.504 1.00 0.00 H new ATOM 1283 N ILE A 80 -10.397 -4.404 -8.659 1.00 0.00 N ATOM 1284 CA ILE A 80 -11.450 -4.515 -9.661 1.00 0.00 C ATOM 1285 C ILE A 80 -12.831 -4.468 -9.015 1.00 0.00 C ATOM 1286 O ILE A 80 -13.078 -5.128 -8.005 1.00 0.00 O ATOM 1287 CB ILE A 80 -11.319 -5.816 -10.474 1.00 0.00 C ATOM 1288 CG1 ILE A 80 -9.854 -6.073 -10.835 1.00 0.00 C ATOM 1289 CG2 ILE A 80 -12.175 -5.744 -11.730 1.00 0.00 C ATOM 1290 CD1 ILE A 80 -9.155 -7.020 -9.885 1.00 0.00 C ATOM 0 H ILE A 80 -10.195 -5.271 -8.161 1.00 0.00 H new ATOM 0 HA ILE A 80 -11.337 -3.664 -10.333 1.00 0.00 H new ATOM 0 HB ILE A 80 -11.674 -6.646 -9.863 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -9.803 -6.481 -11.845 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -9.319 -5.123 -10.847 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -12.072 -6.671 -12.294 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -13.219 -5.603 -11.451 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -11.848 -4.906 -12.346 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -8.121 -7.156 -10.202 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -9.174 -6.605 -8.877 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -9.665 -7.983 -9.890 1.00 0.00 H new ATOM 1302 N LYS A 81 -13.728 -3.686 -9.606 1.00 0.00 N ATOM 1303 CA LYS A 81 -15.086 -3.555 -9.091 1.00 0.00 C ATOM 1304 C LYS A 81 -15.075 -3.071 -7.645 1.00 0.00 C ATOM 1305 O LYS A 81 -15.758 -3.631 -6.788 1.00 0.00 O ATOM 1306 CB LYS A 81 -15.821 -4.894 -9.186 1.00 0.00 C ATOM 1307 CG LYS A 81 -15.971 -5.406 -10.608 1.00 0.00 C ATOM 1308 CD LYS A 81 -17.225 -6.249 -10.768 1.00 0.00 C ATOM 1309 CE LYS A 81 -17.158 -7.118 -12.014 1.00 0.00 C ATOM 1310 NZ LYS A 81 -17.954 -8.367 -11.864 1.00 0.00 N ATOM 0 H LYS A 81 -13.539 -3.133 -10.442 1.00 0.00 H new ATOM 0 HA LYS A 81 -15.609 -2.817 -9.699 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -15.284 -5.637 -8.596 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -16.810 -4.788 -8.741 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -16.008 -4.562 -11.297 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -15.096 -5.999 -10.876 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -17.354 -6.881 -9.889 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -18.097 -5.598 -10.824 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -17.527 -6.553 -12.870 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -16.119 -7.373 -12.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -17.882 -8.931 -12.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -17.587 -8.919 -11.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -18.950 -8.125 -11.690 1.00 0.00 H new ATOM 1324 N ALA A 82 -14.297 -2.026 -7.381 1.00 0.00 N ATOM 1325 CA ALA A 82 -14.201 -1.465 -6.039 1.00 0.00 C ATOM 1326 C ALA A 82 -15.584 -1.231 -5.442 1.00 0.00 C ATOM 1327 O ALA A 82 -16.353 -0.405 -5.934 1.00 0.00 O ATOM 1328 CB ALA A 82 -13.409 -0.166 -6.066 1.00 0.00 C ATOM 0 H ALA A 82 -13.724 -1.551 -8.079 1.00 0.00 H new ATOM 0 HA ALA A 82 -13.678 -2.184 -5.408 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -13.345 0.242 -5.057 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -12.405 -0.360 -6.443 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -13.909 0.551 -6.717 1.00 0.00 H new ATOM 1334 N LYS A 83 -15.895 -1.963 -4.377 1.00 0.00 N ATOM 1335 CA LYS A 83 -17.186 -1.836 -3.711 1.00 0.00 C ATOM 1336 C LYS A 83 -17.133 -0.768 -2.623 1.00 0.00 C ATOM 1337 O LYS A 83 -16.055 -0.325 -2.227 1.00 0.00 O ATOM 1338 CB LYS A 83 -17.604 -3.177 -3.104 1.00 0.00 C ATOM 1339 CG LYS A 83 -17.422 -4.354 -4.047 1.00 0.00 C ATOM 1340 CD LYS A 83 -17.592 -5.680 -3.323 1.00 0.00 C ATOM 1341 CE LYS A 83 -16.993 -6.830 -4.118 1.00 0.00 C ATOM 1342 NZ LYS A 83 -15.583 -6.557 -4.511 1.00 0.00 N ATOM 0 H LYS A 83 -15.270 -2.651 -3.957 1.00 0.00 H new ATOM 0 HA LYS A 83 -17.923 -1.536 -4.455 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -17.023 -3.354 -2.199 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -18.651 -3.120 -2.805 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -18.146 -4.286 -4.859 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -16.431 -4.310 -4.499 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -17.115 -5.625 -2.345 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -18.652 -5.868 -3.151 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -17.034 -7.743 -3.524 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -17.592 -7.004 -5.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -15.524 -6.453 -5.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -15.259 -5.680 -4.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -14.979 -7.347 -4.208 1.00 0.00 H new ATOM 1356 N ASP A 84 -18.303 -0.361 -2.144 1.00 0.00 N ATOM 1357 CA ASP A 84 -18.390 0.653 -1.099 1.00 0.00 C ATOM 1358 C ASP A 84 -17.591 0.236 0.131 1.00 0.00 C ATOM 1359 O ASP A 84 -17.148 1.078 0.911 1.00 0.00 O ATOM 1360 CB ASP A 84 -19.851 0.897 -0.716 1.00 0.00 C ATOM 1361 CG ASP A 84 -20.315 -0.015 0.403 1.00 0.00 C ATOM 1362 OD1 ASP A 84 -20.528 -1.218 0.139 1.00 0.00 O ATOM 1363 OD2 ASP A 84 -20.466 0.473 1.542 1.00 0.00 O ATOM 0 H ASP A 84 -19.204 -0.717 -2.462 1.00 0.00 H new ATOM 0 HA ASP A 84 -17.965 1.578 -1.488 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -19.975 1.936 -0.410 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -20.483 0.745 -1.591 1.00 0.00 H new ATOM 1368 N ASN A 85 -17.413 -1.070 0.300 1.00 0.00 N ATOM 1369 CA ASN A 85 -16.668 -1.600 1.437 1.00 0.00 C ATOM 1370 C ASN A 85 -15.173 -1.340 1.277 1.00 0.00 C ATOM 1371 O ASN A 85 -14.411 -1.426 2.239 1.00 0.00 O ATOM 1372 CB ASN A 85 -16.923 -3.101 1.586 1.00 0.00 C ATOM 1373 CG ASN A 85 -18.402 -3.433 1.647 1.00 0.00 C ATOM 1374 OD1 ASN A 85 -19.166 -2.782 2.360 1.00 0.00 O ATOM 1375 ND2 ASN A 85 -18.812 -4.450 0.898 1.00 0.00 N ATOM 0 H ASN A 85 -17.774 -1.781 -0.336 1.00 0.00 H new ATOM 0 HA ASN A 85 -17.013 -1.089 2.336 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -16.469 -3.629 0.747 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -16.435 -3.462 2.491 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -19.796 -4.720 0.898 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -18.143 -4.961 0.322 1.00 0.00 H new ATOM 1382 N PHE A 86 -14.761 -1.022 0.054 1.00 0.00 N ATOM 1383 CA PHE A 86 -13.358 -0.750 -0.233 1.00 0.00 C ATOM 1384 C PHE A 86 -12.976 0.660 0.207 1.00 0.00 C ATOM 1385 O PHE A 86 -11.807 1.042 0.157 1.00 0.00 O ATOM 1386 CB PHE A 86 -13.078 -0.923 -1.727 1.00 0.00 C ATOM 1387 CG PHE A 86 -13.144 -2.351 -2.188 1.00 0.00 C ATOM 1388 CD1 PHE A 86 -14.263 -3.126 -1.928 1.00 0.00 C ATOM 1389 CD2 PHE A 86 -12.087 -2.919 -2.882 1.00 0.00 C ATOM 1390 CE1 PHE A 86 -14.326 -4.440 -2.350 1.00 0.00 C ATOM 1391 CE2 PHE A 86 -12.145 -4.233 -3.307 1.00 0.00 C ATOM 1392 CZ PHE A 86 -13.266 -4.994 -3.041 1.00 0.00 C ATOM 0 H PHE A 86 -15.379 -0.946 -0.754 1.00 0.00 H new ATOM 0 HA PHE A 86 -12.754 -1.463 0.328 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -13.798 -0.333 -2.294 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -12.090 -0.522 -1.952 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -15.095 -2.698 -1.389 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -11.208 -2.328 -3.093 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -15.203 -5.034 -2.140 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -11.315 -4.664 -3.846 1.00 0.00 H new ATOM 0 HZ PHE A 86 -13.314 -6.021 -3.373 1.00 0.00 H new ATOM 1402 N ALA A 87 -13.971 1.429 0.638 1.00 0.00 N ATOM 1403 CA ALA A 87 -13.740 2.796 1.088 1.00 0.00 C ATOM 1404 C ALA A 87 -13.413 2.836 2.577 1.00 0.00 C ATOM 1405 O ALA A 87 -14.243 2.484 3.414 1.00 0.00 O ATOM 1406 CB ALA A 87 -14.954 3.662 0.789 1.00 0.00 C ATOM 0 H ALA A 87 -14.945 1.128 0.685 1.00 0.00 H new ATOM 0 HA ALA A 87 -12.882 3.191 0.544 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -14.768 4.680 1.130 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -15.141 3.668 -0.285 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -15.825 3.259 1.307 1.00 0.00 H new ATOM 1412 N GLY A 88 -12.197 3.265 2.900 1.00 0.00 N ATOM 1413 CA GLY A 88 -11.782 3.342 4.289 1.00 0.00 C ATOM 1414 C GLY A 88 -10.310 3.668 4.437 1.00 0.00 C ATOM 1415 O GLY A 88 -9.717 4.302 3.565 1.00 0.00 O ATOM 0 H GLY A 88 -11.492 3.561 2.225 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -12.372 4.103 4.800 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -11.992 2.392 4.781 1.00 0.00 H new ATOM 1419 N ASN A 89 -9.718 3.236 5.546 1.00 0.00 N ATOM 1420 CA ASN A 89 -8.305 3.489 5.806 1.00 0.00 C ATOM 1421 C ASN A 89 -7.458 2.276 5.432 1.00 0.00 C ATOM 1422 O ASN A 89 -7.647 1.184 5.969 1.00 0.00 O ATOM 1423 CB ASN A 89 -8.092 3.839 7.280 1.00 0.00 C ATOM 1424 CG ASN A 89 -6.648 4.183 7.589 1.00 0.00 C ATOM 1425 OD1 ASN A 89 -6.018 3.559 8.444 1.00 0.00 O ATOM 1426 ND2 ASN A 89 -6.115 5.181 6.893 1.00 0.00 N ATOM 0 H ASN A 89 -10.194 2.710 6.278 1.00 0.00 H new ATOM 0 HA ASN A 89 -7.992 4.332 5.190 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -8.729 4.683 7.546 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -8.403 2.997 7.899 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -5.147 5.458 7.058 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -6.674 5.671 6.194 1.00 0.00 H new ATOM 1433 N TYR A 90 -6.525 2.476 4.509 1.00 0.00 N ATOM 1434 CA TYR A 90 -5.649 1.399 4.061 1.00 0.00 C ATOM 1435 C TYR A 90 -4.301 1.462 4.771 1.00 0.00 C ATOM 1436 O TYR A 90 -3.838 2.537 5.155 1.00 0.00 O ATOM 1437 CB TYR A 90 -5.445 1.476 2.547 1.00 0.00 C ATOM 1438 CG TYR A 90 -6.606 0.927 1.750 1.00 0.00 C ATOM 1439 CD1 TYR A 90 -7.852 1.542 1.785 1.00 0.00 C ATOM 1440 CD2 TYR A 90 -6.459 -0.208 0.962 1.00 0.00 C ATOM 1441 CE1 TYR A 90 -8.916 1.043 1.060 1.00 0.00 C ATOM 1442 CE2 TYR A 90 -7.517 -0.713 0.232 1.00 0.00 C ATOM 1443 CZ TYR A 90 -8.743 -0.084 0.284 1.00 0.00 C ATOM 1444 OH TYR A 90 -9.801 -0.584 -0.441 1.00 0.00 O ATOM 0 H TYR A 90 -6.355 3.374 4.056 1.00 0.00 H new ATOM 0 HA TYR A 90 -6.125 0.451 4.309 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -5.280 2.516 2.264 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -4.542 0.926 2.282 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -7.990 2.426 2.390 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -5.501 -0.704 0.920 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -9.878 1.532 1.100 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -7.385 -1.596 -0.376 1.00 0.00 H new ATOM 0 HH TYR A 90 -10.554 0.042 -0.395 1.00 0.00 H new ATOM 1454 N ARG A 91 -3.675 0.303 4.943 1.00 0.00 N ATOM 1455 CA ARG A 91 -2.380 0.224 5.608 1.00 0.00 C ATOM 1456 C ARG A 91 -1.427 -0.684 4.836 1.00 0.00 C ATOM 1457 O ARG A 91 -1.859 -1.556 4.081 1.00 0.00 O ATOM 1458 CB ARG A 91 -2.547 -0.291 7.038 1.00 0.00 C ATOM 1459 CG ARG A 91 -1.254 -0.302 7.837 1.00 0.00 C ATOM 1460 CD ARG A 91 -1.470 -0.848 9.240 1.00 0.00 C ATOM 1461 NE ARG A 91 -1.455 -2.308 9.267 1.00 0.00 N ATOM 1462 CZ ARG A 91 -1.820 -3.027 10.322 1.00 0.00 C ATOM 1463 NH1 ARG A 91 -2.227 -2.424 11.431 1.00 0.00 N ATOM 1464 NH2 ARG A 91 -1.779 -4.353 10.270 1.00 0.00 N ATOM 0 H ARG A 91 -4.044 -0.595 4.631 1.00 0.00 H new ATOM 0 HA ARG A 91 -1.954 1.227 5.639 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -3.278 0.330 7.555 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -2.953 -1.302 7.006 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -0.511 -0.909 7.320 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -0.854 0.710 7.897 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -0.693 -0.465 9.902 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -2.424 -0.488 9.626 1.00 0.00 H new ATOM 0 HE ARG A 91 -1.147 -2.803 8.430 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -2.260 -1.405 11.475 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -2.507 -2.979 12.240 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -1.467 -4.821 9.419 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -2.060 -4.904 11.081 1.00 0.00 H new ATOM 1478 N CYS A 92 -0.130 -0.474 5.031 1.00 0.00 N ATOM 1479 CA CYS A 92 0.885 -1.273 4.353 1.00 0.00 C ATOM 1480 C CYS A 92 2.090 -1.504 5.259 1.00 0.00 C ATOM 1481 O CYS A 92 2.456 -0.639 6.053 1.00 0.00 O ATOM 1482 CB CYS A 92 1.327 -0.583 3.061 1.00 0.00 C ATOM 1483 SG CYS A 92 0.358 -1.047 1.607 1.00 0.00 S ATOM 0 H CYS A 92 0.244 0.243 5.653 1.00 0.00 H new ATOM 0 HA CYS A 92 0.447 -2.241 4.108 1.00 0.00 H new ATOM 0 HB2 CYS A 92 1.262 0.496 3.198 1.00 0.00 H new ATOM 0 HB3 CYS A 92 2.375 -0.819 2.876 1.00 0.00 H new ATOM 0 HG CYS A 92 0.392 -0.082 0.737 1.00 0.00 H new ATOM 1489 N GLU A 93 2.700 -2.679 5.134 1.00 0.00 N ATOM 1490 CA GLU A 93 3.863 -3.024 5.944 1.00 0.00 C ATOM 1491 C GLU A 93 4.905 -3.765 5.111 1.00 0.00 C ATOM 1492 O GLU A 93 4.630 -4.828 4.555 1.00 0.00 O ATOM 1493 CB GLU A 93 3.442 -3.884 7.138 1.00 0.00 C ATOM 1494 CG GLU A 93 2.787 -3.093 8.257 1.00 0.00 C ATOM 1495 CD GLU A 93 1.958 -3.965 9.180 1.00 0.00 C ATOM 1496 OE1 GLU A 93 0.871 -4.412 8.757 1.00 0.00 O ATOM 1497 OE2 GLU A 93 2.396 -4.201 10.325 1.00 0.00 O ATOM 0 H GLU A 93 2.409 -3.407 4.481 1.00 0.00 H new ATOM 0 HA GLU A 93 4.308 -2.099 6.310 1.00 0.00 H new ATOM 0 HB2 GLU A 93 2.750 -4.653 6.795 1.00 0.00 H new ATOM 0 HB3 GLU A 93 4.319 -4.397 7.532 1.00 0.00 H new ATOM 0 HG2 GLU A 93 3.558 -2.586 8.838 1.00 0.00 H new ATOM 0 HG3 GLU A 93 2.151 -2.319 7.826 1.00 0.00 H new ATOM 1504 N VAL A 94 6.103 -3.195 5.030 1.00 0.00 N ATOM 1505 CA VAL A 94 7.187 -3.800 4.266 1.00 0.00 C ATOM 1506 C VAL A 94 8.447 -3.937 5.114 1.00 0.00 C ATOM 1507 O VAL A 94 9.149 -2.958 5.367 1.00 0.00 O ATOM 1508 CB VAL A 94 7.517 -2.974 3.008 1.00 0.00 C ATOM 1509 CG1 VAL A 94 8.729 -3.551 2.293 1.00 0.00 C ATOM 1510 CG2 VAL A 94 6.315 -2.919 2.078 1.00 0.00 C ATOM 0 H VAL A 94 6.347 -2.315 5.484 1.00 0.00 H new ATOM 0 HA VAL A 94 6.846 -4.790 3.963 1.00 0.00 H new ATOM 0 HB VAL A 94 7.757 -1.956 3.315 1.00 0.00 H new ATOM 0 HG11 VAL A 94 8.947 -2.955 1.407 1.00 0.00 H new ATOM 0 HG12 VAL A 94 9.589 -3.534 2.963 1.00 0.00 H new ATOM 0 HG13 VAL A 94 8.521 -4.579 1.996 1.00 0.00 H new ATOM 0 HG21 VAL A 94 6.565 -2.332 1.194 1.00 0.00 H new ATOM 0 HG22 VAL A 94 6.042 -3.930 1.776 1.00 0.00 H new ATOM 0 HG23 VAL A 94 5.475 -2.456 2.596 1.00 0.00 H new ATOM 1520 N THR A 95 8.728 -5.161 5.552 1.00 0.00 N ATOM 1521 CA THR A 95 9.903 -5.428 6.373 1.00 0.00 C ATOM 1522 C THR A 95 11.082 -5.873 5.516 1.00 0.00 C ATOM 1523 O THR A 95 11.018 -6.899 4.839 1.00 0.00 O ATOM 1524 CB THR A 95 9.614 -6.510 7.431 1.00 0.00 C ATOM 1525 OG1 THR A 95 8.345 -6.266 8.048 1.00 0.00 O ATOM 1526 CG2 THR A 95 10.704 -6.532 8.492 1.00 0.00 C ATOM 0 H THR A 95 8.158 -5.983 5.352 1.00 0.00 H new ATOM 0 HA THR A 95 10.156 -4.495 6.877 1.00 0.00 H new ATOM 0 HB THR A 95 9.594 -7.479 6.932 1.00 0.00 H new ATOM 0 HG1 THR A 95 8.255 -5.310 8.244 1.00 0.00 H new ATOM 0 HG21 THR A 95 10.479 -7.303 9.229 1.00 0.00 H new ATOM 0 HG22 THR A 95 11.664 -6.747 8.023 1.00 0.00 H new ATOM 0 HG23 THR A 95 10.751 -5.561 8.986 1.00 0.00 H new ATOM 1534 N TYR A 96 12.159 -5.095 5.551 1.00 0.00 N ATOM 1535 CA TYR A 96 13.353 -5.408 4.775 1.00 0.00 C ATOM 1536 C TYR A 96 14.487 -5.872 5.685 1.00 0.00 C ATOM 1537 O TYR A 96 14.446 -5.673 6.900 1.00 0.00 O ATOM 1538 CB TYR A 96 13.798 -4.187 3.969 1.00 0.00 C ATOM 1539 CG TYR A 96 14.885 -4.490 2.962 1.00 0.00 C ATOM 1540 CD1 TYR A 96 14.834 -5.636 2.178 1.00 0.00 C ATOM 1541 CD2 TYR A 96 15.962 -3.628 2.794 1.00 0.00 C ATOM 1542 CE1 TYR A 96 15.825 -5.916 1.258 1.00 0.00 C ATOM 1543 CE2 TYR A 96 16.957 -3.900 1.875 1.00 0.00 C ATOM 1544 CZ TYR A 96 16.884 -5.045 1.110 1.00 0.00 C ATOM 1545 OH TYR A 96 17.873 -5.321 0.193 1.00 0.00 O ATOM 0 H TYR A 96 12.229 -4.244 6.108 1.00 0.00 H new ATOM 0 HA TYR A 96 13.107 -6.218 4.088 1.00 0.00 H new ATOM 0 HB2 TYR A 96 12.936 -3.773 3.447 1.00 0.00 H new ATOM 0 HB3 TYR A 96 14.154 -3.419 4.656 1.00 0.00 H new ATOM 0 HD1 TYR A 96 14.005 -6.319 2.290 1.00 0.00 H new ATOM 0 HD2 TYR A 96 16.022 -2.731 3.392 1.00 0.00 H new ATOM 0 HE1 TYR A 96 15.771 -6.812 0.658 1.00 0.00 H new ATOM 0 HE2 TYR A 96 17.787 -3.220 1.756 1.00 0.00 H new ATOM 0 HH TYR A 96 17.494 -5.830 -0.554 1.00 0.00 H new ATOM 1611 N PHE A 100 12.790 -1.804 8.577 1.00 0.00 N ATOM 1612 CA PHE A 100 11.385 -2.044 8.267 1.00 0.00 C ATOM 1613 C PHE A 100 10.605 -0.734 8.228 1.00 0.00 C ATOM 1614 O PHE A 100 10.662 0.063 9.165 1.00 0.00 O ATOM 1615 CB PHE A 100 10.767 -2.988 9.301 1.00 0.00 C ATOM 1616 CG PHE A 100 9.301 -2.755 9.524 1.00 0.00 C ATOM 1617 CD1 PHE A 100 8.391 -2.944 8.496 1.00 0.00 C ATOM 1618 CD2 PHE A 100 8.831 -2.347 10.762 1.00 0.00 C ATOM 1619 CE1 PHE A 100 7.041 -2.731 8.698 1.00 0.00 C ATOM 1620 CE2 PHE A 100 7.482 -2.133 10.970 1.00 0.00 C ATOM 1621 CZ PHE A 100 6.585 -2.324 9.936 1.00 0.00 C ATOM 0 HA PHE A 100 11.330 -2.508 7.282 1.00 0.00 H new ATOM 0 HB2 PHE A 100 10.918 -4.018 8.977 1.00 0.00 H new ATOM 0 HB3 PHE A 100 11.294 -2.871 10.248 1.00 0.00 H new ATOM 0 HD1 PHE A 100 8.741 -3.262 7.525 1.00 0.00 H new ATOM 0 HD2 PHE A 100 9.527 -2.195 11.574 1.00 0.00 H new ATOM 0 HE1 PHE A 100 6.343 -2.883 7.888 1.00 0.00 H new ATOM 0 HE2 PHE A 100 7.129 -1.817 11.940 1.00 0.00 H new ATOM 0 HZ PHE A 100 5.530 -2.155 10.096 1.00 0.00 H new ATOM 1631 N ASP A 101 9.877 -0.518 7.138 1.00 0.00 N ATOM 1632 CA ASP A 101 9.084 0.695 6.976 1.00 0.00 C ATOM 1633 C ASP A 101 7.615 0.357 6.744 1.00 0.00 C ATOM 1634 O ASP A 101 7.290 -0.685 6.175 1.00 0.00 O ATOM 1635 CB ASP A 101 9.619 1.527 5.810 1.00 0.00 C ATOM 1636 CG ASP A 101 9.789 0.709 4.544 1.00 0.00 C ATOM 1637 OD1 ASP A 101 8.772 0.204 4.023 1.00 0.00 O ATOM 1638 OD2 ASP A 101 10.938 0.575 4.075 1.00 0.00 O ATOM 0 H ASP A 101 9.820 -1.167 6.353 1.00 0.00 H new ATOM 0 HA ASP A 101 9.163 1.277 7.894 1.00 0.00 H new ATOM 0 HB2 ASP A 101 8.937 2.355 5.615 1.00 0.00 H new ATOM 0 HB3 ASP A 101 10.578 1.963 6.089 1.00 0.00 H new ATOM 1643 N SER A 102 6.731 1.244 7.190 1.00 0.00 N ATOM 1644 CA SER A 102 5.296 1.038 7.035 1.00 0.00 C ATOM 1645 C SER A 102 4.578 2.364 6.802 1.00 0.00 C ATOM 1646 O SER A 102 4.894 3.372 7.434 1.00 0.00 O ATOM 1647 CB SER A 102 4.723 0.345 8.273 1.00 0.00 C ATOM 1648 OG SER A 102 4.941 1.120 9.439 1.00 0.00 O ATOM 0 H SER A 102 6.984 2.112 7.662 1.00 0.00 H new ATOM 0 HA SER A 102 5.137 0.402 6.164 1.00 0.00 H new ATOM 0 HB2 SER A 102 3.654 0.178 8.138 1.00 0.00 H new ATOM 0 HB3 SER A 102 5.186 -0.635 8.392 1.00 0.00 H new ATOM 0 HG SER A 102 4.564 0.656 10.215 1.00 0.00 H new ATOM 1654 N CYS A 103 3.611 2.353 5.892 1.00 0.00 N ATOM 1655 CA CYS A 103 2.848 3.555 5.574 1.00 0.00 C ATOM 1656 C CYS A 103 1.374 3.223 5.365 1.00 0.00 C ATOM 1657 O CYS A 103 1.005 2.059 5.209 1.00 0.00 O ATOM 1658 CB CYS A 103 3.414 4.228 4.322 1.00 0.00 C ATOM 1659 SG CYS A 103 4.946 5.146 4.607 1.00 0.00 S ATOM 0 H CYS A 103 3.337 1.526 5.362 1.00 0.00 H new ATOM 0 HA CYS A 103 2.932 4.242 6.416 1.00 0.00 H new ATOM 0 HB2 CYS A 103 3.595 3.467 3.563 1.00 0.00 H new ATOM 0 HB3 CYS A 103 2.665 4.909 3.918 1.00 0.00 H new ATOM 0 HG CYS A 103 5.428 4.835 5.774 1.00 0.00 H new ATOM 1665 N SER A 104 0.535 4.254 5.364 1.00 0.00 N ATOM 1666 CA SER A 104 -0.900 4.072 5.180 1.00 0.00 C ATOM 1667 C SER A 104 -1.486 5.197 4.332 1.00 0.00 C ATOM 1668 O SER A 104 -0.857 6.237 4.139 1.00 0.00 O ATOM 1669 CB SER A 104 -1.607 4.019 6.536 1.00 0.00 C ATOM 1670 OG SER A 104 -1.333 2.801 7.207 1.00 0.00 O ATOM 0 H SER A 104 0.824 5.224 5.489 1.00 0.00 H new ATOM 0 HA SER A 104 -1.058 3.128 4.659 1.00 0.00 H new ATOM 0 HB2 SER A 104 -1.283 4.858 7.152 1.00 0.00 H new ATOM 0 HB3 SER A 104 -2.682 4.125 6.393 1.00 0.00 H new ATOM 0 HG SER A 104 -1.795 2.793 8.071 1.00 0.00 H new ATOM 1676 N PHE A 105 -2.696 4.980 3.827 1.00 0.00 N ATOM 1677 CA PHE A 105 -3.368 5.973 2.999 1.00 0.00 C ATOM 1678 C PHE A 105 -4.878 5.934 3.218 1.00 0.00 C ATOM 1679 O PHE A 105 -5.373 5.192 4.067 1.00 0.00 O ATOM 1680 CB PHE A 105 -3.050 5.736 1.521 1.00 0.00 C ATOM 1681 CG PHE A 105 -3.392 4.351 1.049 1.00 0.00 C ATOM 1682 CD1 PHE A 105 -2.533 3.291 1.290 1.00 0.00 C ATOM 1683 CD2 PHE A 105 -4.572 4.110 0.365 1.00 0.00 C ATOM 1684 CE1 PHE A 105 -2.844 2.016 0.858 1.00 0.00 C ATOM 1685 CE2 PHE A 105 -4.889 2.837 -0.069 1.00 0.00 C ATOM 1686 CZ PHE A 105 -4.024 1.789 0.176 1.00 0.00 C ATOM 0 H PHE A 105 -3.231 4.125 3.977 1.00 0.00 H new ATOM 0 HA PHE A 105 -3.002 6.958 3.289 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -3.597 6.462 0.919 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -1.988 5.917 1.352 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -1.609 3.463 1.822 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -5.252 4.926 0.169 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -2.166 1.198 1.053 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -5.813 2.662 -0.600 1.00 0.00 H new ATOM 0 HZ PHE A 105 -4.269 0.794 -0.165 1.00 0.00 H new ATOM 1696 N ASP A 106 -5.603 6.737 2.448 1.00 0.00 N ATOM 1697 CA ASP A 106 -7.056 6.794 2.557 1.00 0.00 C ATOM 1698 C ASP A 106 -7.711 6.618 1.190 1.00 0.00 C ATOM 1699 O ASP A 106 -7.413 7.354 0.248 1.00 0.00 O ATOM 1700 CB ASP A 106 -7.490 8.123 3.177 1.00 0.00 C ATOM 1701 CG ASP A 106 -7.321 9.289 2.224 1.00 0.00 C ATOM 1702 OD1 ASP A 106 -6.345 9.282 1.445 1.00 0.00 O ATOM 1703 OD2 ASP A 106 -8.163 10.211 2.259 1.00 0.00 O ATOM 0 H ASP A 106 -5.208 7.358 1.741 1.00 0.00 H new ATOM 0 HA ASP A 106 -7.380 5.978 3.203 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -8.534 8.055 3.481 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -6.907 8.307 4.079 1.00 0.00 H new ATOM 1708 N LEU A 107 -8.603 5.639 1.088 1.00 0.00 N ATOM 1709 CA LEU A 107 -9.300 5.366 -0.164 1.00 0.00 C ATOM 1710 C LEU A 107 -10.778 5.724 -0.053 1.00 0.00 C ATOM 1711 O LEU A 107 -11.433 5.399 0.937 1.00 0.00 O ATOM 1712 CB LEU A 107 -9.147 3.892 -0.544 1.00 0.00 C ATOM 1713 CG LEU A 107 -9.534 3.525 -1.977 1.00 0.00 C ATOM 1714 CD1 LEU A 107 -11.039 3.336 -2.091 1.00 0.00 C ATOM 1715 CD2 LEU A 107 -9.054 4.592 -2.949 1.00 0.00 C ATOM 0 H LEU A 107 -8.861 5.021 1.857 1.00 0.00 H new ATOM 0 HA LEU A 107 -8.853 5.984 -0.943 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -8.109 3.602 -0.384 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -9.753 3.297 0.139 1.00 0.00 H new ATOM 0 HG LEU A 107 -9.049 2.583 -2.234 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -11.296 3.075 -3.118 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -11.357 2.536 -1.423 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -11.544 4.262 -1.814 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -9.338 4.314 -3.964 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -9.510 5.549 -2.694 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -7.969 4.679 -2.887 1.00 0.00 H new ATOM 1727 N GLU A 108 -11.298 6.393 -1.078 1.00 0.00 N ATOM 1728 CA GLU A 108 -12.700 6.793 -1.096 1.00 0.00 C ATOM 1729 C GLU A 108 -13.455 6.082 -2.216 1.00 0.00 C ATOM 1730 O GLU A 108 -12.909 5.842 -3.292 1.00 0.00 O ATOM 1731 CB GLU A 108 -12.819 8.309 -1.267 1.00 0.00 C ATOM 1732 CG GLU A 108 -12.794 9.074 0.045 1.00 0.00 C ATOM 1733 CD GLU A 108 -12.828 10.577 -0.155 1.00 0.00 C ATOM 1734 OE1 GLU A 108 -12.294 11.052 -1.179 1.00 0.00 O ATOM 1735 OE2 GLU A 108 -13.390 11.278 0.713 1.00 0.00 O ATOM 0 H GLU A 108 -10.770 6.669 -1.906 1.00 0.00 H new ATOM 0 HA GLU A 108 -13.145 6.506 -0.143 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -12.002 8.660 -1.898 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -13.747 8.535 -1.792 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -13.647 8.773 0.653 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -11.896 8.805 0.601 1.00 0.00 H new ATOM 1742 N VAL A 109 -14.714 5.748 -1.953 1.00 0.00 N ATOM 1743 CA VAL A 109 -15.545 5.065 -2.938 1.00 0.00 C ATOM 1744 C VAL A 109 -16.836 5.834 -3.196 1.00 0.00 C ATOM 1745 O VAL A 109 -17.659 6.007 -2.296 1.00 0.00 O ATOM 1746 CB VAL A 109 -15.894 3.636 -2.483 1.00 0.00 C ATOM 1747 CG1 VAL A 109 -16.576 2.869 -3.607 1.00 0.00 C ATOM 1748 CG2 VAL A 109 -14.645 2.907 -2.011 1.00 0.00 C ATOM 0 H VAL A 109 -15.181 5.939 -1.067 1.00 0.00 H new ATOM 0 HA VAL A 109 -14.966 5.014 -3.860 1.00 0.00 H new ATOM 0 HB VAL A 109 -16.588 3.700 -1.645 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -16.815 1.861 -3.267 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -17.494 3.383 -3.893 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -15.908 2.813 -4.467 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -14.910 1.899 -1.693 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -13.925 2.852 -2.828 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -14.203 3.447 -1.173 1.00 0.00 H new ATOM 1758 N HIS A 110 -17.007 6.294 -4.431 1.00 0.00 N ATOM 1759 CA HIS A 110 -18.200 7.045 -4.809 1.00 0.00 C ATOM 1760 C HIS A 110 -19.164 6.169 -5.602 1.00 0.00 C ATOM 1761 O HIS A 110 -18.745 5.353 -6.422 1.00 0.00 O ATOM 1762 CB HIS A 110 -17.814 8.274 -5.632 1.00 0.00 C ATOM 1763 CG HIS A 110 -17.069 9.310 -4.848 1.00 0.00 C ATOM 1764 ND1 HIS A 110 -16.965 10.626 -5.248 1.00 0.00 N ATOM 1765 CD2 HIS A 110 -16.390 9.218 -3.681 1.00 0.00 C ATOM 1766 CE1 HIS A 110 -16.252 11.298 -4.361 1.00 0.00 C ATOM 1767 NE2 HIS A 110 -15.892 10.467 -3.400 1.00 0.00 N ATOM 0 H HIS A 110 -16.335 6.160 -5.187 1.00 0.00 H new ATOM 0 HA HIS A 110 -18.700 7.370 -3.897 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -17.201 7.958 -6.476 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -18.717 8.723 -6.045 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -16.263 8.328 -3.082 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -16.006 12.348 -4.413 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -15.335 10.713 -2.582 1.00 0.00 H new ATOM 1776 N GLU A 111 -20.458 6.343 -5.351 1.00 0.00 N ATOM 1777 CA GLU A 111 -21.481 5.567 -6.041 1.00 0.00 C ATOM 1778 C GLU A 111 -21.446 5.834 -7.543 1.00 0.00 C ATOM 1779 O GLU A 111 -21.465 6.984 -7.981 1.00 0.00 O ATOM 1780 CB GLU A 111 -22.867 5.900 -5.485 1.00 0.00 C ATOM 1781 CG GLU A 111 -23.025 5.577 -4.009 1.00 0.00 C ATOM 1782 CD GLU A 111 -24.453 5.226 -3.638 1.00 0.00 C ATOM 1783 OE1 GLU A 111 -25.163 4.648 -4.488 1.00 0.00 O ATOM 1784 OE2 GLU A 111 -24.860 5.529 -2.497 1.00 0.00 O ATOM 0 H GLU A 111 -20.822 7.014 -4.675 1.00 0.00 H new ATOM 0 HA GLU A 111 -21.274 4.510 -5.872 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -23.066 6.961 -5.639 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -23.618 5.349 -6.051 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -22.371 4.744 -3.751 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -22.700 6.432 -3.417 1.00 0.00 H new ATOM 1791 N SER A 112 -21.394 4.762 -8.328 1.00 0.00 N ATOM 1792 CA SER A 112 -21.351 4.880 -9.780 1.00 0.00 C ATOM 1793 C SER A 112 -22.743 5.149 -10.345 1.00 0.00 C ATOM 1794 O SER A 112 -23.587 4.255 -10.401 1.00 0.00 O ATOM 1795 CB SER A 112 -20.776 3.605 -10.400 1.00 0.00 C ATOM 1796 OG SER A 112 -20.564 3.765 -11.792 1.00 0.00 O ATOM 0 H SER A 112 -21.381 3.803 -7.982 1.00 0.00 H new ATOM 0 HA SER A 112 -20.706 5.722 -10.032 1.00 0.00 H new ATOM 0 HB2 SER A 112 -19.834 3.352 -9.912 1.00 0.00 H new ATOM 0 HB3 SER A 112 -21.458 2.773 -10.226 1.00 0.00 H new ATOM 0 HG SER A 112 -20.195 2.937 -12.164 1.00 0.00 H new