USER MOD reduce.3.24.130724 H: found=0, std=0, add=695, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 699 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 76 THR OG1 : rot 41:sc= 0.524 USER MOD Set 1.2: A 90 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 59 SER OG : rot -117:sc= 1.02 USER MOD Set 2.2: A 81 HIS : no HE2:sc= -4.57! C(o=-3.6!,f=-7!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 167:sc= 1.03 (180deg=0.867) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= 0.257 X(o=0.26,f=0) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 ASN : amide:sc= -1.82 X(o=-1.8,f=-2.2) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 CYS SG : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= -0.684 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 133:sc= -1.15 (180deg=-2.9!) USER MOD Single : A 47 LYS NZ :NH3+ 148:sc= 0.0604 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 91:sc= 1.23 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 SER OG : rot -41:sc= 1.05 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 HIS : no HD1:sc= -2.64! C(o=-2.6!,f=-2.7!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.447 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= -2.74! C(o=-2.7!,f=-3.4!) USER MOD Single : A 102 GLN : amide:sc= -0.0793 X(o=-0.079,f=-0.48) USER MOD Single : A 104 MET CE :methyl -155:sc= -0.0142 (180deg=-0.627) USER MOD ----------------------------------------------------------------- ATOM 104 N VAL A 11 -1.068 -1.203 12.976 1.00 0.00 N ATOM 105 CA VAL A 11 -0.978 -2.004 11.761 1.00 0.00 C ATOM 106 C VAL A 11 -2.321 -2.064 11.042 1.00 0.00 C ATOM 107 O VAL A 11 -3.371 -2.189 11.672 1.00 0.00 O ATOM 108 CB VAL A 11 -0.508 -3.438 12.068 1.00 0.00 C ATOM 109 CG1 VAL A 11 -0.476 -4.273 10.797 1.00 0.00 C ATOM 110 CG2 VAL A 11 0.858 -3.419 12.737 1.00 0.00 C ATOM 0 HA VAL A 11 -0.245 -1.520 11.116 1.00 0.00 H new ATOM 0 HB VAL A 11 -1.219 -3.895 12.757 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.142 -5.283 11.034 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.475 -4.314 10.363 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.212 -3.821 10.082 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.175 -4.441 12.947 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.581 -2.944 12.074 1.00 0.00 H new ATOM 0 HG23 VAL A 11 0.798 -2.859 13.670 1.00 0.00 H new ATOM 120 N THR A 12 -2.280 -1.974 9.716 1.00 0.00 N ATOM 121 CA THR A 12 -3.494 -2.017 8.910 1.00 0.00 C ATOM 122 C THR A 12 -3.872 -3.452 8.562 1.00 0.00 C ATOM 123 O THR A 12 -4.991 -3.892 8.829 1.00 0.00 O ATOM 124 CB THR A 12 -3.332 -1.211 7.607 1.00 0.00 C ATOM 125 OG1 THR A 12 -3.056 0.161 7.911 1.00 0.00 O ATOM 126 CG2 THR A 12 -4.587 -1.304 6.753 1.00 0.00 C ATOM 0 H THR A 12 -1.420 -1.871 9.178 1.00 0.00 H new ATOM 0 HA THR A 12 -4.287 -1.570 9.509 1.00 0.00 H new ATOM 0 HB THR A 12 -2.498 -1.633 7.046 1.00 0.00 H new ATOM 0 HG1 THR A 12 -2.953 0.666 7.078 1.00 0.00 H new ATOM 0 HG21 THR A 12 -4.448 -0.727 5.839 1.00 0.00 H new ATOM 0 HG22 THR A 12 -4.778 -2.347 6.499 1.00 0.00 H new ATOM 0 HG23 THR A 12 -5.436 -0.905 7.309 1.00 0.00 H new ATOM 134 N LYS A 13 -2.933 -4.179 7.967 1.00 0.00 N ATOM 135 CA LYS A 13 -3.167 -5.567 7.584 1.00 0.00 C ATOM 136 C LYS A 13 -1.854 -6.341 7.516 1.00 0.00 C ATOM 137 O LYS A 13 -0.815 -5.788 7.157 1.00 0.00 O ATOM 138 CB LYS A 13 -3.880 -5.631 6.231 1.00 0.00 C ATOM 139 CG LYS A 13 -4.738 -6.871 6.055 1.00 0.00 C ATOM 140 CD LYS A 13 -4.822 -7.289 4.596 1.00 0.00 C ATOM 141 CE LYS A 13 -5.613 -8.577 4.430 1.00 0.00 C ATOM 142 NZ LYS A 13 -4.921 -9.738 5.053 1.00 0.00 N ATOM 0 H LYS A 13 -2.002 -3.830 7.739 1.00 0.00 H new ATOM 0 HA LYS A 13 -3.800 -6.026 8.343 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.507 -4.746 6.118 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -3.136 -5.598 5.435 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -4.323 -7.688 6.645 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -5.740 -6.678 6.437 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.292 -6.495 4.015 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -3.817 -7.424 4.197 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -6.599 -8.458 4.880 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -5.768 -8.773 3.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -5.578 -10.541 5.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -4.101 -10.006 4.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -4.600 -9.479 6.008 1.00 0.00 H new ATOM 156 N ALA A 14 -1.910 -7.623 7.862 1.00 0.00 N ATOM 157 CA ALA A 14 -0.726 -8.473 7.837 1.00 0.00 C ATOM 158 C ALA A 14 -1.103 -9.931 7.597 1.00 0.00 C ATOM 159 O ALA A 14 -1.947 -10.487 8.298 1.00 0.00 O ATOM 160 CB ALA A 14 0.051 -8.333 9.137 1.00 0.00 C ATOM 0 H ALA A 14 -2.762 -8.096 8.163 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.092 -8.148 7.012 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.933 -8.973 9.105 1.00 0.00 H new ATOM 0 HB2 ALA A 14 0.360 -7.296 9.266 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.582 -8.630 9.973 1.00 0.00 H new ATOM 166 N GLY A 15 -0.470 -10.545 6.601 1.00 0.00 N ATOM 167 CA GLY A 15 -0.754 -11.933 6.287 1.00 0.00 C ATOM 168 C GLY A 15 0.330 -12.568 5.439 1.00 0.00 C ATOM 169 O GLY A 15 1.177 -11.871 4.878 1.00 0.00 O ATOM 0 H GLY A 15 0.233 -10.106 6.007 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -0.864 -12.497 7.213 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -1.707 -11.996 5.761 1.00 0.00 H new ATOM 173 N TRP A 16 0.306 -13.892 5.345 1.00 0.00 N ATOM 174 CA TRP A 16 1.296 -14.621 4.560 1.00 0.00 C ATOM 175 C TRP A 16 0.973 -14.547 3.072 1.00 0.00 C ATOM 176 O TRP A 16 -0.021 -15.112 2.614 1.00 0.00 O ATOM 177 CB TRP A 16 1.358 -16.082 5.009 1.00 0.00 C ATOM 178 CG TRP A 16 2.057 -16.271 6.321 1.00 0.00 C ATOM 179 CD1 TRP A 16 1.477 -16.354 7.555 1.00 0.00 C ATOM 180 CD2 TRP A 16 3.468 -16.399 6.530 1.00 0.00 C ATOM 181 NE1 TRP A 16 2.442 -16.525 8.518 1.00 0.00 N ATOM 182 CE2 TRP A 16 3.671 -16.557 7.915 1.00 0.00 C ATOM 183 CE3 TRP A 16 4.578 -16.398 5.682 1.00 0.00 C ATOM 184 CZ2 TRP A 16 4.940 -16.711 8.468 1.00 0.00 C ATOM 185 CZ3 TRP A 16 5.837 -16.550 6.232 1.00 0.00 C ATOM 186 CH2 TRP A 16 6.009 -16.706 7.614 1.00 0.00 C ATOM 0 H TRP A 16 -0.388 -14.483 5.802 1.00 0.00 H new ATOM 0 HA TRP A 16 2.268 -14.156 4.725 1.00 0.00 H new ATOM 0 HB2 TRP A 16 0.344 -16.474 5.086 1.00 0.00 H new ATOM 0 HB3 TRP A 16 1.869 -16.668 4.245 1.00 0.00 H new ATOM 0 HD1 TRP A 16 0.416 -16.294 7.746 1.00 0.00 H new ATOM 0 HE1 TRP A 16 2.271 -16.614 9.520 1.00 0.00 H new ATOM 0 HE3 TRP A 16 4.455 -16.281 4.616 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 5.075 -16.830 9.533 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 6.702 -16.549 5.586 1.00 0.00 H new ATOM 0 HH2 TRP A 16 7.006 -16.825 8.013 1.00 0.00 H new ATOM 197 N LEU A 17 1.817 -13.848 2.322 1.00 0.00 N ATOM 198 CA LEU A 17 1.621 -13.700 0.884 1.00 0.00 C ATOM 199 C LEU A 17 2.858 -14.155 0.116 1.00 0.00 C ATOM 200 O LEU A 17 3.968 -14.149 0.648 1.00 0.00 O ATOM 201 CB LEU A 17 1.300 -12.245 0.540 1.00 0.00 C ATOM 202 CG LEU A 17 -0.138 -11.795 0.800 1.00 0.00 C ATOM 203 CD1 LEU A 17 -0.237 -10.278 0.768 1.00 0.00 C ATOM 204 CD2 LEU A 17 -1.083 -12.414 -0.220 1.00 0.00 C ATOM 0 H LEU A 17 2.644 -13.374 2.686 1.00 0.00 H new ATOM 0 HA LEU A 17 0.781 -14.330 0.590 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.970 -11.602 1.111 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.525 -12.084 -0.514 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.431 -12.137 1.793 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.268 -9.977 0.955 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.410 -9.855 1.536 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.076 -9.914 -0.211 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.102 -12.083 -0.020 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.791 -12.103 -1.223 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.034 -13.501 -0.149 1.00 0.00 H new ATOM 216 N PHE A 18 2.658 -14.547 -1.138 1.00 0.00 N ATOM 217 CA PHE A 18 3.758 -15.004 -1.980 1.00 0.00 C ATOM 218 C PHE A 18 4.198 -13.906 -2.944 1.00 0.00 C ATOM 219 O PHE A 18 3.373 -13.285 -3.614 1.00 0.00 O ATOM 220 CB PHE A 18 3.343 -16.251 -2.765 1.00 0.00 C ATOM 221 CG PHE A 18 3.128 -17.460 -1.900 1.00 0.00 C ATOM 222 CD1 PHE A 18 2.179 -17.445 -0.890 1.00 0.00 C ATOM 223 CD2 PHE A 18 3.874 -18.610 -2.096 1.00 0.00 C ATOM 224 CE1 PHE A 18 1.980 -18.556 -0.092 1.00 0.00 C ATOM 225 CE2 PHE A 18 3.679 -19.724 -1.302 1.00 0.00 C ATOM 226 CZ PHE A 18 2.730 -19.697 -0.299 1.00 0.00 C ATOM 0 H PHE A 18 1.745 -14.557 -1.593 1.00 0.00 H new ATOM 0 HA PHE A 18 4.599 -15.253 -1.333 1.00 0.00 H new ATOM 0 HB2 PHE A 18 2.425 -16.037 -3.312 1.00 0.00 H new ATOM 0 HB3 PHE A 18 4.110 -16.476 -3.506 1.00 0.00 H new ATOM 0 HD1 PHE A 18 1.589 -16.556 -0.725 1.00 0.00 H new ATOM 0 HD2 PHE A 18 4.617 -18.637 -2.879 1.00 0.00 H new ATOM 0 HE1 PHE A 18 1.238 -18.532 0.693 1.00 0.00 H new ATOM 0 HE2 PHE A 18 4.268 -20.614 -1.466 1.00 0.00 H new ATOM 0 HZ PHE A 18 2.575 -20.567 0.322 1.00 0.00 H new ATOM 236 N LYS A 19 5.504 -13.671 -3.007 1.00 0.00 N ATOM 237 CA LYS A 19 6.056 -12.649 -3.887 1.00 0.00 C ATOM 238 C LYS A 19 6.772 -13.283 -5.076 1.00 0.00 C ATOM 239 O LYS A 19 7.732 -14.033 -4.905 1.00 0.00 O ATOM 240 CB LYS A 19 7.026 -11.751 -3.115 1.00 0.00 C ATOM 241 CG LYS A 19 7.262 -10.403 -3.774 1.00 0.00 C ATOM 242 CD LYS A 19 8.449 -9.681 -3.158 1.00 0.00 C ATOM 243 CE LYS A 19 8.644 -8.304 -3.773 1.00 0.00 C ATOM 244 NZ LYS A 19 9.308 -8.379 -5.104 1.00 0.00 N ATOM 0 H LYS A 19 6.200 -14.175 -2.458 1.00 0.00 H new ATOM 0 HA LYS A 19 5.230 -12.044 -4.262 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.638 -11.591 -2.109 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.980 -12.267 -3.010 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.434 -10.544 -4.841 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.368 -9.787 -3.674 1.00 0.00 H new ATOM 0 HD2 LYS A 19 8.298 -9.582 -2.083 1.00 0.00 H new ATOM 0 HD3 LYS A 19 9.352 -10.275 -3.300 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.677 -7.813 -3.877 1.00 0.00 H new ATOM 0 HE3 LYS A 19 9.244 -7.689 -3.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 9.423 -7.420 -5.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 10.242 -8.825 -5.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.724 -8.945 -5.752 1.00 0.00 H new ATOM 258 N GLN A 20 6.297 -12.976 -6.279 1.00 0.00 N ATOM 259 CA GLN A 20 6.893 -13.517 -7.495 1.00 0.00 C ATOM 260 C GLN A 20 8.355 -13.100 -7.617 1.00 0.00 C ATOM 261 O GLN A 20 8.661 -11.926 -7.819 1.00 0.00 O ATOM 262 CB GLN A 20 6.112 -13.045 -8.723 1.00 0.00 C ATOM 263 CG GLN A 20 6.421 -13.840 -9.982 1.00 0.00 C ATOM 264 CD GLN A 20 5.653 -13.341 -11.190 1.00 0.00 C ATOM 265 OE1 GLN A 20 6.021 -12.338 -11.803 1.00 0.00 O ATOM 266 NE2 GLN A 20 4.580 -14.040 -11.540 1.00 0.00 N ATOM 0 H GLN A 20 5.502 -12.356 -6.438 1.00 0.00 H new ATOM 0 HA GLN A 20 6.848 -14.605 -7.439 1.00 0.00 H new ATOM 0 HB2 GLN A 20 5.045 -13.113 -8.513 1.00 0.00 H new ATOM 0 HB3 GLN A 20 6.335 -11.993 -8.903 1.00 0.00 H new ATOM 0 HG2 GLN A 20 7.490 -13.786 -10.188 1.00 0.00 H new ATOM 0 HG3 GLN A 20 6.182 -14.890 -9.812 1.00 0.00 H new ATOM 0 HE21 GLN A 20 4.311 -14.865 -11.004 1.00 0.00 H new ATOM 0 HE22 GLN A 20 4.024 -13.752 -12.345 1.00 0.00 H new ATOM 275 N ALA A 21 9.254 -14.071 -7.492 1.00 0.00 N ATOM 276 CA ALA A 21 10.684 -13.806 -7.589 1.00 0.00 C ATOM 277 C ALA A 21 10.993 -12.891 -8.770 1.00 0.00 C ATOM 278 O ALA A 21 10.376 -13.000 -9.830 1.00 0.00 O ATOM 279 CB ALA A 21 11.456 -15.111 -7.714 1.00 0.00 C ATOM 0 H ALA A 21 9.017 -15.049 -7.323 1.00 0.00 H new ATOM 0 HA ALA A 21 10.997 -13.298 -6.677 1.00 0.00 H new ATOM 0 HB1 ALA A 21 12.522 -14.897 -7.786 1.00 0.00 H new ATOM 0 HB2 ALA A 21 11.268 -15.730 -6.837 1.00 0.00 H new ATOM 0 HB3 ALA A 21 11.131 -15.641 -8.609 1.00 0.00 H new ATOM 352 N GLN A 27 9.824 -18.736 -9.674 1.00 0.00 N ATOM 353 CA GLN A 27 9.127 -19.403 -8.582 1.00 0.00 C ATOM 354 C GLN A 27 8.462 -18.387 -7.659 1.00 0.00 C ATOM 355 O GLN A 27 8.538 -17.181 -7.891 1.00 0.00 O ATOM 356 CB GLN A 27 10.099 -20.274 -7.784 1.00 0.00 C ATOM 357 CG GLN A 27 11.224 -19.489 -7.131 1.00 0.00 C ATOM 358 CD GLN A 27 12.086 -20.346 -6.225 1.00 0.00 C ATOM 359 OE1 GLN A 27 12.978 -21.057 -6.688 1.00 0.00 O ATOM 360 NE2 GLN A 27 11.822 -20.285 -4.925 1.00 0.00 N ATOM 0 HA GLN A 27 8.352 -20.037 -9.013 1.00 0.00 H new ATOM 0 HB2 GLN A 27 9.545 -20.809 -7.013 1.00 0.00 H new ATOM 0 HB3 GLN A 27 10.529 -21.025 -8.447 1.00 0.00 H new ATOM 0 HG2 GLN A 27 11.849 -19.044 -7.906 1.00 0.00 H new ATOM 0 HG3 GLN A 27 10.801 -18.668 -6.553 1.00 0.00 H new ATOM 0 HE21 GLN A 27 11.073 -19.682 -4.584 1.00 0.00 H new ATOM 0 HE22 GLN A 27 12.368 -20.841 -4.267 1.00 0.00 H new ATOM 369 N TRP A 28 7.811 -18.883 -6.613 1.00 0.00 N ATOM 370 CA TRP A 28 7.132 -18.017 -5.655 1.00 0.00 C ATOM 371 C TRP A 28 7.675 -18.233 -4.247 1.00 0.00 C ATOM 372 O TRP A 28 7.772 -19.366 -3.776 1.00 0.00 O ATOM 373 CB TRP A 28 5.625 -18.277 -5.680 1.00 0.00 C ATOM 374 CG TRP A 28 4.956 -17.774 -6.923 1.00 0.00 C ATOM 375 CD1 TRP A 28 4.878 -18.412 -8.128 1.00 0.00 C ATOM 376 CD2 TRP A 28 4.273 -16.526 -7.083 1.00 0.00 C ATOM 377 NE1 TRP A 28 4.187 -17.636 -9.027 1.00 0.00 N ATOM 378 CE2 TRP A 28 3.804 -16.475 -8.411 1.00 0.00 C ATOM 379 CE3 TRP A 28 4.009 -15.448 -6.234 1.00 0.00 C ATOM 380 CZ2 TRP A 28 3.090 -15.387 -8.906 1.00 0.00 C ATOM 381 CZ3 TRP A 28 3.300 -14.370 -6.727 1.00 0.00 C ATOM 382 CH2 TRP A 28 2.846 -14.346 -8.053 1.00 0.00 C ATOM 0 H TRP A 28 7.739 -19.879 -6.406 1.00 0.00 H new ATOM 0 HA TRP A 28 7.319 -16.982 -5.942 1.00 0.00 H new ATOM 0 HB2 TRP A 28 5.447 -19.348 -5.588 1.00 0.00 H new ATOM 0 HB3 TRP A 28 5.167 -17.802 -4.812 1.00 0.00 H new ATOM 0 HD1 TRP A 28 5.298 -19.384 -8.343 1.00 0.00 H new ATOM 0 HE1 TRP A 28 3.991 -17.885 -9.997 1.00 0.00 H new ATOM 0 HE3 TRP A 28 4.353 -15.458 -5.210 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 2.741 -15.366 -9.928 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 3.092 -13.531 -6.080 1.00 0.00 H new ATOM 0 HH2 TRP A 28 2.293 -13.489 -8.408 1.00 0.00 H new ATOM 393 N ASN A 29 8.027 -17.139 -3.578 1.00 0.00 N ATOM 394 CA ASN A 29 8.560 -17.210 -2.223 1.00 0.00 C ATOM 395 C ASN A 29 7.522 -16.749 -1.205 1.00 0.00 C ATOM 396 O ASN A 29 7.018 -15.628 -1.280 1.00 0.00 O ATOM 397 CB ASN A 29 9.823 -16.355 -2.104 1.00 0.00 C ATOM 398 CG ASN A 29 9.774 -15.126 -2.992 1.00 0.00 C ATOM 399 OD1 ASN A 29 9.503 -14.020 -2.525 1.00 0.00 O ATOM 400 ND2 ASN A 29 10.039 -15.316 -4.279 1.00 0.00 N ATOM 0 H ASN A 29 7.952 -16.193 -3.953 1.00 0.00 H new ATOM 0 HA ASN A 29 8.812 -18.249 -2.013 1.00 0.00 H new ATOM 0 HB2 ASN A 29 9.953 -16.046 -1.067 1.00 0.00 H new ATOM 0 HB3 ASN A 29 10.692 -16.957 -2.369 1.00 0.00 H new ATOM 0 HD21 ASN A 29 10.023 -14.527 -4.925 1.00 0.00 H new ATOM 0 HD22 ASN A 29 10.259 -16.251 -4.622 1.00 0.00 H new ATOM 407 N LYS A 30 7.206 -17.620 -0.253 1.00 0.00 N ATOM 408 CA LYS A 30 6.230 -17.303 0.782 1.00 0.00 C ATOM 409 C LYS A 30 6.868 -16.487 1.901 1.00 0.00 C ATOM 410 O LYS A 30 7.750 -16.972 2.611 1.00 0.00 O ATOM 411 CB LYS A 30 5.627 -18.588 1.355 1.00 0.00 C ATOM 412 CG LYS A 30 4.545 -18.343 2.392 1.00 0.00 C ATOM 413 CD LYS A 30 4.098 -19.639 3.048 1.00 0.00 C ATOM 414 CE LYS A 30 3.255 -19.375 4.286 1.00 0.00 C ATOM 415 NZ LYS A 30 3.359 -20.483 5.275 1.00 0.00 N ATOM 0 H LYS A 30 7.613 -18.552 -0.177 1.00 0.00 H new ATOM 0 HA LYS A 30 5.438 -16.708 0.328 1.00 0.00 H new ATOM 0 HB2 LYS A 30 5.210 -19.179 0.539 1.00 0.00 H new ATOM 0 HB3 LYS A 30 6.422 -19.183 1.805 1.00 0.00 H new ATOM 0 HG2 LYS A 30 4.918 -17.658 3.154 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.690 -17.859 1.920 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.524 -20.230 2.335 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.972 -20.230 3.321 1.00 0.00 H new ATOM 0 HE2 LYS A 30 3.575 -18.442 4.751 1.00 0.00 H new ATOM 0 HE3 LYS A 30 2.213 -19.245 3.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 2.770 -20.265 6.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 3.030 -21.369 4.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 4.350 -20.591 5.573 1.00 0.00 H new ATOM 429 N ARG A 31 6.417 -15.246 2.054 1.00 0.00 N ATOM 430 CA ARG A 31 6.945 -14.363 3.087 1.00 0.00 C ATOM 431 C ARG A 31 5.814 -13.758 3.914 1.00 0.00 C ATOM 432 O ARG A 31 4.644 -14.083 3.715 1.00 0.00 O ATOM 433 CB ARG A 31 7.782 -13.249 2.456 1.00 0.00 C ATOM 434 CG ARG A 31 9.228 -13.643 2.202 1.00 0.00 C ATOM 435 CD ARG A 31 9.859 -14.271 3.435 1.00 0.00 C ATOM 436 NE ARG A 31 9.688 -15.721 3.460 1.00 0.00 N ATOM 437 CZ ARG A 31 10.351 -16.553 2.664 1.00 0.00 C ATOM 438 NH1 ARG A 31 11.225 -16.081 1.786 1.00 0.00 N ATOM 439 NH2 ARG A 31 10.141 -17.860 2.747 1.00 0.00 N ATOM 0 H ARG A 31 5.687 -14.830 1.476 1.00 0.00 H new ATOM 0 HA ARG A 31 7.579 -14.955 3.747 1.00 0.00 H new ATOM 0 HB2 ARG A 31 7.324 -12.952 1.512 1.00 0.00 H new ATOM 0 HB3 ARG A 31 7.761 -12.376 3.109 1.00 0.00 H new ATOM 0 HG2 ARG A 31 9.274 -14.346 1.370 1.00 0.00 H new ATOM 0 HG3 ARG A 31 9.800 -12.763 1.907 1.00 0.00 H new ATOM 0 HD2 ARG A 31 10.922 -14.031 3.460 1.00 0.00 H new ATOM 0 HD3 ARG A 31 9.413 -13.838 4.331 1.00 0.00 H new ATOM 0 HE ARG A 31 9.023 -16.117 4.125 1.00 0.00 H new ATOM 0 HH11 ARG A 31 11.390 -15.077 1.720 1.00 0.00 H new ATOM 0 HH12 ARG A 31 11.732 -16.722 1.176 1.00 0.00 H new ATOM 0 HH21 ARG A 31 9.470 -18.227 3.422 1.00 0.00 H new ATOM 0 HH22 ARG A 31 10.650 -18.498 2.136 1.00 0.00 H new ATOM 453 N TRP A 32 6.173 -12.879 4.843 1.00 0.00 N ATOM 454 CA TRP A 32 5.189 -12.229 5.701 1.00 0.00 C ATOM 455 C TRP A 32 5.075 -10.744 5.372 1.00 0.00 C ATOM 456 O TRP A 32 6.017 -9.979 5.577 1.00 0.00 O ATOM 457 CB TRP A 32 5.566 -12.410 7.172 1.00 0.00 C ATOM 458 CG TRP A 32 4.563 -11.824 8.119 1.00 0.00 C ATOM 459 CD1 TRP A 32 4.752 -10.767 8.962 1.00 0.00 C ATOM 460 CD2 TRP A 32 3.215 -12.264 8.320 1.00 0.00 C ATOM 461 NE1 TRP A 32 3.603 -10.523 9.675 1.00 0.00 N ATOM 462 CE2 TRP A 32 2.645 -11.428 9.299 1.00 0.00 C ATOM 463 CE3 TRP A 32 2.434 -13.282 7.766 1.00 0.00 C ATOM 464 CZ2 TRP A 32 1.332 -11.580 9.735 1.00 0.00 C ATOM 465 CZ3 TRP A 32 1.131 -13.433 8.201 1.00 0.00 C ATOM 466 CH2 TRP A 32 0.590 -12.585 9.177 1.00 0.00 C ATOM 0 H TRP A 32 7.138 -12.600 5.021 1.00 0.00 H new ATOM 0 HA TRP A 32 4.221 -12.697 5.521 1.00 0.00 H new ATOM 0 HB2 TRP A 32 5.676 -13.474 7.383 1.00 0.00 H new ATOM 0 HB3 TRP A 32 6.537 -11.948 7.350 1.00 0.00 H new ATOM 0 HD1 TRP A 32 5.670 -10.205 9.055 1.00 0.00 H new ATOM 0 HE1 TRP A 32 3.483 -9.787 10.371 1.00 0.00 H new ATOM 0 HE3 TRP A 32 2.841 -13.939 7.012 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 0.914 -10.928 10.487 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 0.519 -14.218 7.782 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -0.432 -12.728 9.495 1.00 0.00 H new ATOM 477 N PHE A 33 3.916 -10.343 4.860 1.00 0.00 N ATOM 478 CA PHE A 33 3.680 -8.950 4.502 1.00 0.00 C ATOM 479 C PHE A 33 2.869 -8.240 5.582 1.00 0.00 C ATOM 480 O PHE A 33 1.912 -8.796 6.122 1.00 0.00 O ATOM 481 CB PHE A 33 2.949 -8.863 3.160 1.00 0.00 C ATOM 482 CG PHE A 33 3.847 -9.072 1.974 1.00 0.00 C ATOM 483 CD1 PHE A 33 4.153 -10.350 1.538 1.00 0.00 C ATOM 484 CD2 PHE A 33 4.385 -7.990 1.296 1.00 0.00 C ATOM 485 CE1 PHE A 33 4.979 -10.547 0.446 1.00 0.00 C ATOM 486 CE2 PHE A 33 5.211 -8.179 0.204 1.00 0.00 C ATOM 487 CZ PHE A 33 5.509 -9.459 -0.220 1.00 0.00 C ATOM 0 H PHE A 33 3.126 -10.963 4.684 1.00 0.00 H new ATOM 0 HA PHE A 33 4.647 -8.455 4.414 1.00 0.00 H new ATOM 0 HB2 PHE A 33 2.154 -9.608 3.139 1.00 0.00 H new ATOM 0 HB3 PHE A 33 2.473 -7.886 3.077 1.00 0.00 H new ATOM 0 HD1 PHE A 33 3.742 -11.203 2.057 1.00 0.00 H new ATOM 0 HD2 PHE A 33 4.156 -6.987 1.625 1.00 0.00 H new ATOM 0 HE1 PHE A 33 5.209 -11.549 0.115 1.00 0.00 H new ATOM 0 HE2 PHE A 33 5.623 -7.327 -0.317 1.00 0.00 H new ATOM 0 HZ PHE A 33 6.156 -9.609 -1.072 1.00 0.00 H new ATOM 497 N VAL A 34 3.259 -7.008 5.893 1.00 0.00 N ATOM 498 CA VAL A 34 2.569 -6.221 6.909 1.00 0.00 C ATOM 499 C VAL A 34 2.262 -4.817 6.401 1.00 0.00 C ATOM 500 O VAL A 34 3.112 -3.927 6.451 1.00 0.00 O ATOM 501 CB VAL A 34 3.402 -6.117 8.200 1.00 0.00 C ATOM 502 CG1 VAL A 34 2.678 -5.270 9.236 1.00 0.00 C ATOM 503 CG2 VAL A 34 3.706 -7.503 8.751 1.00 0.00 C ATOM 0 H VAL A 34 4.049 -6.533 5.456 1.00 0.00 H new ATOM 0 HA VAL A 34 1.635 -6.737 7.129 1.00 0.00 H new ATOM 0 HB VAL A 34 4.348 -5.629 7.963 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.282 -5.208 10.141 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.516 -4.268 8.838 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.717 -5.726 9.472 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.295 -7.411 9.663 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.772 -8.019 8.973 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.269 -8.073 8.012 1.00 0.00 H new ATOM 513 N LEU A 35 1.042 -4.625 5.912 1.00 0.00 N ATOM 514 CA LEU A 35 0.621 -3.327 5.395 1.00 0.00 C ATOM 515 C LEU A 35 0.613 -2.277 6.500 1.00 0.00 C ATOM 516 O LEU A 35 -0.087 -2.419 7.502 1.00 0.00 O ATOM 517 CB LEU A 35 -0.771 -3.434 4.767 1.00 0.00 C ATOM 518 CG LEU A 35 -1.424 -2.114 4.357 1.00 0.00 C ATOM 519 CD1 LEU A 35 -0.487 -1.306 3.473 1.00 0.00 C ATOM 520 CD2 LEU A 35 -2.743 -2.371 3.643 1.00 0.00 C ATOM 0 H LEU A 35 0.327 -5.351 5.862 1.00 0.00 H new ATOM 0 HA LEU A 35 1.335 -3.018 4.632 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.702 -4.072 3.886 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -1.429 -3.938 5.475 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.628 -1.537 5.259 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.969 -0.370 3.191 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.432 -1.091 4.018 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.251 -1.877 2.575 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.194 -1.420 3.358 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.563 -2.969 2.750 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.419 -2.908 4.309 1.00 0.00 H new ATOM 532 N VAL A 36 1.396 -1.219 6.310 1.00 0.00 N ATOM 533 CA VAL A 36 1.478 -0.142 7.289 1.00 0.00 C ATOM 534 C VAL A 36 0.486 0.970 6.967 1.00 0.00 C ATOM 535 O VAL A 36 -0.335 0.839 6.059 1.00 0.00 O ATOM 536 CB VAL A 36 2.897 0.454 7.351 1.00 0.00 C ATOM 537 CG1 VAL A 36 3.057 1.562 6.321 1.00 0.00 C ATOM 538 CG2 VAL A 36 3.198 0.968 8.751 1.00 0.00 C ATOM 0 H VAL A 36 1.983 -1.085 5.486 1.00 0.00 H new ATOM 0 HA VAL A 36 1.232 -0.576 8.258 1.00 0.00 H new ATOM 0 HB VAL A 36 3.613 -0.333 7.116 1.00 0.00 H new ATOM 0 HG11 VAL A 36 4.066 1.971 6.380 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.887 1.158 5.323 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.333 2.352 6.521 1.00 0.00 H new ATOM 0 HG21 VAL A 36 4.205 1.386 8.777 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.477 1.741 9.017 1.00 0.00 H new ATOM 0 HG23 VAL A 36 3.128 0.146 9.463 1.00 0.00 H new ATOM 548 N ASP A 37 0.567 2.063 7.717 1.00 0.00 N ATOM 549 CA ASP A 37 -0.324 3.199 7.511 1.00 0.00 C ATOM 550 C ASP A 37 -0.735 3.308 6.046 1.00 0.00 C ATOM 551 O ASP A 37 -1.913 3.182 5.711 1.00 0.00 O ATOM 552 CB ASP A 37 0.355 4.494 7.960 1.00 0.00 C ATOM 553 CG ASP A 37 -0.643 5.558 8.372 1.00 0.00 C ATOM 554 OD1 ASP A 37 -1.407 5.317 9.330 1.00 0.00 O ATOM 555 OD2 ASP A 37 -0.660 6.633 7.737 1.00 0.00 O ATOM 0 H ASP A 37 1.240 2.187 8.473 1.00 0.00 H new ATOM 0 HA ASP A 37 -1.220 3.040 8.111 1.00 0.00 H new ATOM 0 HB2 ASP A 37 1.020 4.281 8.797 1.00 0.00 H new ATOM 0 HB3 ASP A 37 0.975 4.876 7.149 1.00 0.00 H new ATOM 560 N ARG A 38 0.243 3.544 5.178 1.00 0.00 N ATOM 561 CA ARG A 38 -0.019 3.672 3.749 1.00 0.00 C ATOM 562 C ARG A 38 0.944 2.808 2.940 1.00 0.00 C ATOM 563 O ARG A 38 0.595 2.307 1.871 1.00 0.00 O ATOM 564 CB ARG A 38 0.105 5.134 3.315 1.00 0.00 C ATOM 565 CG ARG A 38 -1.199 5.910 3.409 1.00 0.00 C ATOM 566 CD ARG A 38 -1.159 7.171 2.561 1.00 0.00 C ATOM 567 NE ARG A 38 -0.655 8.319 3.311 1.00 0.00 N ATOM 568 CZ ARG A 38 -1.404 9.047 4.131 1.00 0.00 C ATOM 569 NH1 ARG A 38 -2.684 8.748 4.307 1.00 0.00 N ATOM 570 NH2 ARG A 38 -0.873 10.076 4.779 1.00 0.00 N ATOM 0 H ARG A 38 1.223 3.650 5.439 1.00 0.00 H new ATOM 0 HA ARG A 38 -1.036 3.328 3.560 1.00 0.00 H new ATOM 0 HB2 ARG A 38 0.856 5.625 3.934 1.00 0.00 H new ATOM 0 HB3 ARG A 38 0.466 5.170 2.287 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -2.025 5.277 3.083 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -1.392 6.175 4.449 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -0.527 7.002 1.689 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -2.160 7.391 2.191 1.00 0.00 H new ATOM 0 HE ARG A 38 0.326 8.575 3.199 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -3.096 7.957 3.812 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -3.257 9.309 4.938 1.00 0.00 H new ATOM 0 HH21 ARG A 38 0.111 10.308 4.647 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -1.449 10.635 5.409 1.00 0.00 H new ATOM 584 N CYS A 39 2.155 2.638 3.458 1.00 0.00 N ATOM 585 CA CYS A 39 3.169 1.835 2.784 1.00 0.00 C ATOM 586 C CYS A 39 3.022 0.360 3.143 1.00 0.00 C ATOM 587 O CYS A 39 2.188 -0.008 3.971 1.00 0.00 O ATOM 588 CB CYS A 39 4.569 2.326 3.156 1.00 0.00 C ATOM 589 SG CYS A 39 5.035 3.889 2.376 1.00 0.00 S ATOM 0 H CYS A 39 2.459 3.045 4.342 1.00 0.00 H new ATOM 0 HA CYS A 39 3.028 1.944 1.709 1.00 0.00 H new ATOM 0 HB2 CYS A 39 4.626 2.441 4.238 1.00 0.00 H new ATOM 0 HB3 CYS A 39 5.296 1.563 2.878 1.00 0.00 H new ATOM 0 HG CYS A 39 6.233 4.222 2.754 1.00 0.00 H new ATOM 595 N LEU A 40 3.836 -0.481 2.514 1.00 0.00 N ATOM 596 CA LEU A 40 3.796 -1.917 2.766 1.00 0.00 C ATOM 597 C LEU A 40 5.202 -2.474 2.965 1.00 0.00 C ATOM 598 O LEU A 40 6.151 -2.043 2.310 1.00 0.00 O ATOM 599 CB LEU A 40 3.109 -2.639 1.606 1.00 0.00 C ATOM 600 CG LEU A 40 3.215 -4.164 1.607 1.00 0.00 C ATOM 601 CD1 LEU A 40 2.522 -4.747 2.829 1.00 0.00 C ATOM 602 CD2 LEU A 40 2.623 -4.742 0.330 1.00 0.00 C ATOM 0 H LEU A 40 4.532 -0.193 1.826 1.00 0.00 H new ATOM 0 HA LEU A 40 3.226 -2.085 3.680 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.053 -2.368 1.610 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.530 -2.266 0.672 1.00 0.00 H new ATOM 0 HG LEU A 40 4.270 -4.435 1.649 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.608 -5.833 2.812 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.992 -4.360 3.733 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.469 -4.466 2.819 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.708 -5.829 0.349 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.572 -4.461 0.256 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.164 -4.351 -0.531 1.00 0.00 H new ATOM 614 N PHE A 41 5.329 -3.437 3.872 1.00 0.00 N ATOM 615 CA PHE A 41 6.618 -4.055 4.157 1.00 0.00 C ATOM 616 C PHE A 41 6.482 -5.571 4.270 1.00 0.00 C ATOM 617 O PHE A 41 5.374 -6.102 4.340 1.00 0.00 O ATOM 618 CB PHE A 41 7.206 -3.486 5.450 1.00 0.00 C ATOM 619 CG PHE A 41 7.383 -1.995 5.423 1.00 0.00 C ATOM 620 CD1 PHE A 41 8.497 -1.428 4.826 1.00 0.00 C ATOM 621 CD2 PHE A 41 6.436 -1.161 5.995 1.00 0.00 C ATOM 622 CE1 PHE A 41 8.663 -0.056 4.800 1.00 0.00 C ATOM 623 CE2 PHE A 41 6.597 0.212 5.972 1.00 0.00 C ATOM 624 CZ PHE A 41 7.711 0.765 5.373 1.00 0.00 C ATOM 0 H PHE A 41 4.554 -3.806 4.423 1.00 0.00 H new ATOM 0 HA PHE A 41 7.291 -3.829 3.330 1.00 0.00 H new ATOM 0 HB2 PHE A 41 6.555 -3.752 6.283 1.00 0.00 H new ATOM 0 HB3 PHE A 41 8.172 -3.955 5.638 1.00 0.00 H new ATOM 0 HD1 PHE A 41 9.244 -2.065 4.376 1.00 0.00 H new ATOM 0 HD2 PHE A 41 5.562 -1.588 6.464 1.00 0.00 H new ATOM 0 HE1 PHE A 41 9.536 0.374 4.332 1.00 0.00 H new ATOM 0 HE2 PHE A 41 5.852 0.851 6.422 1.00 0.00 H new ATOM 0 HZ PHE A 41 7.838 1.837 5.352 1.00 0.00 H new ATOM 634 N TYR A 42 7.617 -6.261 4.287 1.00 0.00 N ATOM 635 CA TYR A 42 7.626 -7.715 4.388 1.00 0.00 C ATOM 636 C TYR A 42 8.768 -8.192 5.280 1.00 0.00 C ATOM 637 O TYR A 42 9.689 -7.435 5.587 1.00 0.00 O ATOM 638 CB TYR A 42 7.752 -8.343 2.999 1.00 0.00 C ATOM 639 CG TYR A 42 9.079 -8.069 2.328 1.00 0.00 C ATOM 640 CD1 TYR A 42 9.285 -6.901 1.604 1.00 0.00 C ATOM 641 CD2 TYR A 42 10.126 -8.978 2.418 1.00 0.00 C ATOM 642 CE1 TYR A 42 10.496 -6.647 0.989 1.00 0.00 C ATOM 643 CE2 TYR A 42 11.341 -8.731 1.808 1.00 0.00 C ATOM 644 CZ TYR A 42 11.521 -7.564 1.094 1.00 0.00 C ATOM 645 OH TYR A 42 12.728 -7.315 0.483 1.00 0.00 O ATOM 0 H TYR A 42 8.543 -5.836 4.232 1.00 0.00 H new ATOM 0 HA TYR A 42 6.683 -8.029 4.837 1.00 0.00 H new ATOM 0 HB2 TYR A 42 7.613 -9.421 3.083 1.00 0.00 H new ATOM 0 HB3 TYR A 42 6.949 -7.966 2.365 1.00 0.00 H new ATOM 0 HD1 TYR A 42 8.485 -6.180 1.521 1.00 0.00 H new ATOM 0 HD2 TYR A 42 9.988 -9.893 2.974 1.00 0.00 H new ATOM 0 HE1 TYR A 42 10.639 -5.735 0.429 1.00 0.00 H new ATOM 0 HE2 TYR A 42 12.145 -9.447 1.890 1.00 0.00 H new ATOM 0 HH TYR A 42 13.342 -8.059 0.655 1.00 0.00 H new ATOM 655 N TYR A 43 8.701 -9.453 5.691 1.00 0.00 N ATOM 656 CA TYR A 43 9.728 -10.033 6.549 1.00 0.00 C ATOM 657 C TYR A 43 9.847 -11.536 6.317 1.00 0.00 C ATOM 658 O TYR A 43 8.895 -12.188 5.888 1.00 0.00 O ATOM 659 CB TYR A 43 9.409 -9.756 8.020 1.00 0.00 C ATOM 660 CG TYR A 43 8.856 -8.371 8.269 1.00 0.00 C ATOM 661 CD1 TYR A 43 7.633 -7.984 7.736 1.00 0.00 C ATOM 662 CD2 TYR A 43 9.557 -7.451 9.039 1.00 0.00 C ATOM 663 CE1 TYR A 43 7.125 -6.719 7.961 1.00 0.00 C ATOM 664 CE2 TYR A 43 9.055 -6.184 9.271 1.00 0.00 C ATOM 665 CZ TYR A 43 7.839 -5.823 8.729 1.00 0.00 C ATOM 666 OH TYR A 43 7.335 -4.563 8.957 1.00 0.00 O ATOM 0 H TYR A 43 7.947 -10.093 5.444 1.00 0.00 H new ATOM 0 HA TYR A 43 10.681 -9.569 6.297 1.00 0.00 H new ATOM 0 HB2 TYR A 43 8.689 -10.494 8.372 1.00 0.00 H new ATOM 0 HB3 TYR A 43 10.315 -9.888 8.611 1.00 0.00 H new ATOM 0 HD1 TYR A 43 7.070 -8.683 7.136 1.00 0.00 H new ATOM 0 HD2 TYR A 43 10.510 -7.730 9.463 1.00 0.00 H new ATOM 0 HE1 TYR A 43 6.173 -6.433 7.538 1.00 0.00 H new ATOM 0 HE2 TYR A 43 9.612 -5.481 9.873 1.00 0.00 H new ATOM 0 HH TYR A 43 7.960 -4.057 9.517 1.00 0.00 H new ATOM 676 N LYS A 44 11.024 -12.081 6.605 1.00 0.00 N ATOM 677 CA LYS A 44 11.270 -13.507 6.431 1.00 0.00 C ATOM 678 C LYS A 44 10.156 -14.334 7.065 1.00 0.00 C ATOM 679 O LYS A 44 9.722 -15.341 6.506 1.00 0.00 O ATOM 680 CB LYS A 44 12.618 -13.892 7.045 1.00 0.00 C ATOM 681 CG LYS A 44 13.279 -15.080 6.368 1.00 0.00 C ATOM 682 CD LYS A 44 14.158 -14.642 5.208 1.00 0.00 C ATOM 683 CE LYS A 44 15.457 -14.021 5.697 1.00 0.00 C ATOM 684 NZ LYS A 44 16.307 -13.550 4.568 1.00 0.00 N ATOM 0 H LYS A 44 11.823 -11.556 6.960 1.00 0.00 H new ATOM 0 HA LYS A 44 11.291 -13.718 5.362 1.00 0.00 H new ATOM 0 HB2 LYS A 44 13.289 -13.035 6.992 1.00 0.00 H new ATOM 0 HB3 LYS A 44 12.475 -14.120 8.101 1.00 0.00 H new ATOM 0 HG2 LYS A 44 13.880 -15.626 7.095 1.00 0.00 H new ATOM 0 HG3 LYS A 44 12.513 -15.767 6.007 1.00 0.00 H new ATOM 0 HD2 LYS A 44 14.380 -15.500 4.574 1.00 0.00 H new ATOM 0 HD3 LYS A 44 13.618 -13.922 4.593 1.00 0.00 H new ATOM 0 HE2 LYS A 44 15.233 -13.183 6.357 1.00 0.00 H new ATOM 0 HE3 LYS A 44 16.010 -14.752 6.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 16.650 -12.589 4.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 17.119 -14.190 4.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 15.747 -13.542 3.692 1.00 0.00 H new ATOM 698 N ASP A 45 9.697 -13.901 8.234 1.00 0.00 N ATOM 699 CA ASP A 45 8.632 -14.599 8.944 1.00 0.00 C ATOM 700 C ASP A 45 8.024 -13.710 10.024 1.00 0.00 C ATOM 701 O ASP A 45 8.459 -12.576 10.225 1.00 0.00 O ATOM 702 CB ASP A 45 9.166 -15.889 9.569 1.00 0.00 C ATOM 703 CG ASP A 45 10.187 -16.580 8.687 1.00 0.00 C ATOM 704 OD1 ASP A 45 9.778 -17.389 7.827 1.00 0.00 O ATOM 705 OD2 ASP A 45 11.394 -16.312 8.855 1.00 0.00 O ATOM 0 H ASP A 45 10.046 -13.069 8.710 1.00 0.00 H new ATOM 0 HA ASP A 45 7.853 -14.849 8.224 1.00 0.00 H new ATOM 0 HB2 ASP A 45 9.619 -15.661 10.534 1.00 0.00 H new ATOM 0 HB3 ASP A 45 8.335 -16.568 9.759 1.00 0.00 H new ATOM 710 N GLU A 46 7.015 -14.231 10.714 1.00 0.00 N ATOM 711 CA GLU A 46 6.346 -13.483 11.772 1.00 0.00 C ATOM 712 C GLU A 46 7.363 -12.783 12.670 1.00 0.00 C ATOM 713 O GLU A 46 7.109 -11.695 13.186 1.00 0.00 O ATOM 714 CB GLU A 46 5.467 -14.414 12.609 1.00 0.00 C ATOM 715 CG GLU A 46 4.403 -15.137 11.799 1.00 0.00 C ATOM 716 CD GLU A 46 3.106 -14.357 11.713 1.00 0.00 C ATOM 717 OE1 GLU A 46 3.156 -13.112 11.780 1.00 0.00 O ATOM 718 OE2 GLU A 46 2.040 -14.994 11.577 1.00 0.00 O ATOM 0 H GLU A 46 6.643 -15.168 10.560 1.00 0.00 H new ATOM 0 HA GLU A 46 5.717 -12.726 11.304 1.00 0.00 H new ATOM 0 HB2 GLU A 46 6.100 -15.152 13.102 1.00 0.00 H new ATOM 0 HB3 GLU A 46 4.982 -13.834 13.394 1.00 0.00 H new ATOM 0 HG2 GLU A 46 4.780 -15.320 10.793 1.00 0.00 H new ATOM 0 HG3 GLU A 46 4.208 -16.111 12.249 1.00 0.00 H new ATOM 725 N LYS A 47 8.517 -13.417 12.852 1.00 0.00 N ATOM 726 CA LYS A 47 9.574 -12.858 13.686 1.00 0.00 C ATOM 727 C LYS A 47 9.618 -11.338 13.562 1.00 0.00 C ATOM 728 O LYS A 47 9.751 -10.629 14.559 1.00 0.00 O ATOM 729 CB LYS A 47 10.929 -13.452 13.295 1.00 0.00 C ATOM 730 CG LYS A 47 11.136 -14.872 13.790 1.00 0.00 C ATOM 731 CD LYS A 47 12.552 -15.355 13.523 1.00 0.00 C ATOM 732 CE LYS A 47 12.729 -15.793 12.078 1.00 0.00 C ATOM 733 NZ LYS A 47 12.198 -17.165 11.845 1.00 0.00 N ATOM 0 H LYS A 47 8.744 -14.319 12.433 1.00 0.00 H new ATOM 0 HA LYS A 47 9.358 -13.114 14.723 1.00 0.00 H new ATOM 0 HB2 LYS A 47 11.023 -13.437 12.209 1.00 0.00 H new ATOM 0 HB3 LYS A 47 11.722 -12.819 13.692 1.00 0.00 H new ATOM 0 HG2 LYS A 47 10.930 -14.919 14.859 1.00 0.00 H new ATOM 0 HG3 LYS A 47 10.425 -15.537 13.299 1.00 0.00 H new ATOM 0 HD2 LYS A 47 13.259 -14.557 13.751 1.00 0.00 H new ATOM 0 HD3 LYS A 47 12.785 -16.187 14.187 1.00 0.00 H new ATOM 0 HE2 LYS A 47 12.219 -15.090 11.420 1.00 0.00 H new ATOM 0 HE3 LYS A 47 13.787 -15.764 11.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 11.833 -17.236 10.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 12.960 -17.860 11.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 11.430 -17.359 12.519 1.00 0.00 H new ATOM 747 N GLU A 48 9.504 -10.846 12.333 1.00 0.00 N ATOM 748 CA GLU A 48 9.531 -9.410 12.080 1.00 0.00 C ATOM 749 C GLU A 48 10.678 -8.745 12.836 1.00 0.00 C ATOM 750 O GLU A 48 10.581 -7.586 13.236 1.00 0.00 O ATOM 751 CB GLU A 48 8.201 -8.773 12.487 1.00 0.00 C ATOM 752 CG GLU A 48 7.070 -9.049 11.511 1.00 0.00 C ATOM 753 CD GLU A 48 5.786 -8.336 11.889 1.00 0.00 C ATOM 754 OE1 GLU A 48 5.744 -7.093 11.787 1.00 0.00 O ATOM 755 OE2 GLU A 48 4.822 -9.024 12.288 1.00 0.00 O ATOM 0 H GLU A 48 9.392 -11.420 11.497 1.00 0.00 H new ATOM 0 HA GLU A 48 9.687 -9.259 11.012 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.917 -9.142 13.472 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.337 -7.695 12.577 1.00 0.00 H new ATOM 0 HG2 GLU A 48 7.373 -8.737 10.512 1.00 0.00 H new ATOM 0 HG3 GLU A 48 6.886 -10.122 11.468 1.00 0.00 H new ATOM 762 N GLU A 49 11.762 -9.490 13.028 1.00 0.00 N ATOM 763 CA GLU A 49 12.927 -8.974 13.737 1.00 0.00 C ATOM 764 C GLU A 49 13.583 -7.840 12.954 1.00 0.00 C ATOM 765 O GLU A 49 14.324 -7.032 13.514 1.00 0.00 O ATOM 766 CB GLU A 49 13.941 -10.093 13.981 1.00 0.00 C ATOM 767 CG GLU A 49 14.745 -10.466 12.746 1.00 0.00 C ATOM 768 CD GLU A 49 15.477 -11.784 12.903 1.00 0.00 C ATOM 769 OE1 GLU A 49 14.927 -12.696 13.555 1.00 0.00 O ATOM 770 OE2 GLU A 49 16.601 -11.904 12.372 1.00 0.00 O ATOM 0 H GLU A 49 11.858 -10.452 12.703 1.00 0.00 H new ATOM 0 HA GLU A 49 12.591 -8.582 14.697 1.00 0.00 H new ATOM 0 HB2 GLU A 49 14.626 -9.785 14.771 1.00 0.00 H new ATOM 0 HB3 GLU A 49 13.415 -10.977 14.342 1.00 0.00 H new ATOM 0 HG2 GLU A 49 14.077 -10.526 11.887 1.00 0.00 H new ATOM 0 HG3 GLU A 49 15.467 -9.677 12.535 1.00 0.00 H new ATOM 777 N SER A 50 13.304 -7.787 11.656 1.00 0.00 N ATOM 778 CA SER A 50 13.870 -6.756 10.793 1.00 0.00 C ATOM 779 C SER A 50 13.208 -6.774 9.419 1.00 0.00 C ATOM 780 O SER A 50 12.765 -7.821 8.945 1.00 0.00 O ATOM 781 CB SER A 50 15.380 -6.955 10.648 1.00 0.00 C ATOM 782 OG SER A 50 16.032 -5.726 10.382 1.00 0.00 O ATOM 0 H SER A 50 12.689 -8.446 11.178 1.00 0.00 H new ATOM 0 HA SER A 50 13.682 -5.787 11.254 1.00 0.00 H new ATOM 0 HB2 SER A 50 15.782 -7.393 11.562 1.00 0.00 H new ATOM 0 HB3 SER A 50 15.581 -7.659 9.841 1.00 0.00 H new ATOM 0 HG SER A 50 16.996 -5.879 10.295 1.00 0.00 H new ATOM 788 N ILE A 51 13.144 -5.608 8.785 1.00 0.00 N ATOM 789 CA ILE A 51 12.538 -5.490 7.464 1.00 0.00 C ATOM 790 C ILE A 51 13.560 -5.754 6.364 1.00 0.00 C ATOM 791 O ILE A 51 14.579 -5.069 6.270 1.00 0.00 O ATOM 792 CB ILE A 51 11.921 -4.094 7.252 1.00 0.00 C ATOM 793 CG1 ILE A 51 10.764 -3.870 8.227 1.00 0.00 C ATOM 794 CG2 ILE A 51 11.447 -3.939 5.814 1.00 0.00 C ATOM 795 CD1 ILE A 51 10.335 -2.424 8.333 1.00 0.00 C ATOM 0 H ILE A 51 13.504 -4.732 9.164 1.00 0.00 H new ATOM 0 HA ILE A 51 11.749 -6.240 7.410 1.00 0.00 H new ATOM 0 HB ILE A 51 12.685 -3.341 7.446 1.00 0.00 H new ATOM 0 HG12 ILE A 51 9.912 -4.471 7.911 1.00 0.00 H new ATOM 0 HG13 ILE A 51 11.057 -4.227 9.214 1.00 0.00 H new ATOM 0 HG21 ILE A 51 11.013 -2.948 5.679 1.00 0.00 H new ATOM 0 HG22 ILE A 51 12.293 -4.061 5.137 1.00 0.00 H new ATOM 0 HG23 ILE A 51 10.695 -4.697 5.595 1.00 0.00 H new ATOM 0 HD11 ILE A 51 9.511 -2.340 9.042 1.00 0.00 H new ATOM 0 HD12 ILE A 51 11.174 -1.820 8.679 1.00 0.00 H new ATOM 0 HD13 ILE A 51 10.010 -2.068 7.355 1.00 0.00 H new ATOM 807 N LEU A 52 13.281 -6.752 5.532 1.00 0.00 N ATOM 808 CA LEU A 52 14.175 -7.107 4.436 1.00 0.00 C ATOM 809 C LEU A 52 14.033 -6.125 3.277 1.00 0.00 C ATOM 810 O LEU A 52 14.990 -5.863 2.551 1.00 0.00 O ATOM 811 CB LEU A 52 13.882 -8.528 3.953 1.00 0.00 C ATOM 812 CG LEU A 52 14.442 -9.659 4.817 1.00 0.00 C ATOM 813 CD1 LEU A 52 13.657 -9.778 6.114 1.00 0.00 C ATOM 814 CD2 LEU A 52 14.417 -10.976 4.054 1.00 0.00 C ATOM 0 H LEU A 52 12.443 -7.329 5.596 1.00 0.00 H new ATOM 0 HA LEU A 52 15.199 -7.059 4.806 1.00 0.00 H new ATOM 0 HB2 LEU A 52 12.801 -8.651 3.884 1.00 0.00 H new ATOM 0 HB3 LEU A 52 14.280 -8.637 2.944 1.00 0.00 H new ATOM 0 HG LEU A 52 15.478 -9.424 5.063 1.00 0.00 H new ATOM 0 HD11 LEU A 52 14.069 -10.588 6.716 1.00 0.00 H new ATOM 0 HD12 LEU A 52 13.726 -8.842 6.668 1.00 0.00 H new ATOM 0 HD13 LEU A 52 12.612 -9.990 5.889 1.00 0.00 H new ATOM 0 HD21 LEU A 52 14.819 -11.769 4.684 1.00 0.00 H new ATOM 0 HD22 LEU A 52 13.390 -11.217 3.778 1.00 0.00 H new ATOM 0 HD23 LEU A 52 15.024 -10.886 3.153 1.00 0.00 H new ATOM 826 N GLY A 53 12.830 -5.581 3.113 1.00 0.00 N ATOM 827 CA GLY A 53 12.585 -4.632 2.043 1.00 0.00 C ATOM 828 C GLY A 53 11.372 -3.763 2.305 1.00 0.00 C ATOM 829 O GLY A 53 10.694 -3.921 3.321 1.00 0.00 O ATOM 0 H GLY A 53 12.022 -5.781 3.702 1.00 0.00 H new ATOM 0 HA2 GLY A 53 13.462 -3.997 1.917 1.00 0.00 H new ATOM 0 HA3 GLY A 53 12.445 -5.173 1.107 1.00 0.00 H new ATOM 833 N SER A 54 11.097 -2.840 1.388 1.00 0.00 N ATOM 834 CA SER A 54 9.960 -1.938 1.529 1.00 0.00 C ATOM 835 C SER A 54 9.213 -1.796 0.206 1.00 0.00 C ATOM 836 O SER A 54 9.816 -1.840 -0.867 1.00 0.00 O ATOM 837 CB SER A 54 10.428 -0.565 2.013 1.00 0.00 C ATOM 838 OG SER A 54 9.399 0.401 1.880 1.00 0.00 O ATOM 0 H SER A 54 11.646 -2.698 0.540 1.00 0.00 H new ATOM 0 HA SER A 54 9.280 -2.363 2.267 1.00 0.00 H new ATOM 0 HB2 SER A 54 10.738 -0.630 3.056 1.00 0.00 H new ATOM 0 HB3 SER A 54 11.301 -0.252 1.440 1.00 0.00 H new ATOM 0 HG SER A 54 8.875 0.437 2.708 1.00 0.00 H new ATOM 844 N ILE A 55 7.898 -1.626 0.291 1.00 0.00 N ATOM 845 CA ILE A 55 7.069 -1.476 -0.898 1.00 0.00 C ATOM 846 C ILE A 55 6.046 -0.359 -0.718 1.00 0.00 C ATOM 847 O ILE A 55 5.047 -0.506 -0.015 1.00 0.00 O ATOM 848 CB ILE A 55 6.330 -2.783 -1.237 1.00 0.00 C ATOM 849 CG1 ILE A 55 7.315 -3.953 -1.289 1.00 0.00 C ATOM 850 CG2 ILE A 55 5.592 -2.647 -2.561 1.00 0.00 C ATOM 851 CD1 ILE A 55 6.664 -5.301 -1.073 1.00 0.00 C ATOM 0 H ILE A 55 7.384 -1.589 1.171 1.00 0.00 H new ATOM 0 HA ILE A 55 7.739 -1.223 -1.720 1.00 0.00 H new ATOM 0 HB ILE A 55 5.598 -2.982 -0.454 1.00 0.00 H new ATOM 0 HG12 ILE A 55 7.817 -3.952 -2.256 1.00 0.00 H new ATOM 0 HG13 ILE A 55 8.084 -3.804 -0.531 1.00 0.00 H new ATOM 0 HG21 ILE A 55 5.075 -3.579 -2.787 1.00 0.00 H new ATOM 0 HG22 ILE A 55 4.866 -1.837 -2.491 1.00 0.00 H new ATOM 0 HG23 ILE A 55 6.306 -2.427 -3.355 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.422 -6.083 -1.123 1.00 0.00 H new ATOM 0 HD12 ILE A 55 6.186 -5.321 -0.094 1.00 0.00 H new ATOM 0 HD13 ILE A 55 5.915 -5.471 -1.846 1.00 0.00 H new ATOM 863 N PRO A 56 6.300 0.786 -1.370 1.00 0.00 N ATOM 864 CA PRO A 56 5.411 1.950 -1.299 1.00 0.00 C ATOM 865 C PRO A 56 4.090 1.716 -2.023 1.00 0.00 C ATOM 866 O PRO A 56 4.071 1.390 -3.211 1.00 0.00 O ATOM 867 CB PRO A 56 6.214 3.052 -1.995 1.00 0.00 C ATOM 868 CG PRO A 56 7.136 2.326 -2.914 1.00 0.00 C ATOM 869 CD PRO A 56 7.472 1.032 -2.226 1.00 0.00 C ATOM 0 HA PRO A 56 5.134 2.189 -0.272 1.00 0.00 H new ATOM 0 HB2 PRO A 56 5.561 3.731 -2.544 1.00 0.00 H new ATOM 0 HB3 PRO A 56 6.767 3.654 -1.274 1.00 0.00 H new ATOM 0 HG2 PRO A 56 6.662 2.144 -3.878 1.00 0.00 H new ATOM 0 HG3 PRO A 56 8.036 2.911 -3.106 1.00 0.00 H new ATOM 0 HD2 PRO A 56 7.623 0.224 -2.942 1.00 0.00 H new ATOM 0 HD3 PRO A 56 8.387 1.114 -1.640 1.00 0.00 H new ATOM 877 N LEU A 57 2.987 1.883 -1.301 1.00 0.00 N ATOM 878 CA LEU A 57 1.660 1.690 -1.876 1.00 0.00 C ATOM 879 C LEU A 57 0.985 3.031 -2.149 1.00 0.00 C ATOM 880 O LEU A 57 -0.149 3.264 -1.729 1.00 0.00 O ATOM 881 CB LEU A 57 0.793 0.852 -0.935 1.00 0.00 C ATOM 882 CG LEU A 57 0.855 -0.663 -1.137 1.00 0.00 C ATOM 883 CD1 LEU A 57 0.156 -1.382 0.006 1.00 0.00 C ATOM 884 CD2 LEU A 57 0.234 -1.049 -2.471 1.00 0.00 C ATOM 0 H LEU A 57 2.985 2.151 -0.317 1.00 0.00 H new ATOM 0 HA LEU A 57 1.774 1.162 -2.823 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.086 1.074 0.091 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.243 1.171 -1.047 1.00 0.00 H new ATOM 0 HG LEU A 57 1.902 -0.967 -1.145 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.210 -2.459 -0.154 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.645 -1.130 0.947 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.889 -1.073 0.046 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.287 -2.130 -2.598 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.809 -0.732 -2.492 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.778 -0.562 -3.280 1.00 0.00 H new ATOM 896 N LEU A 58 1.689 3.908 -2.857 1.00 0.00 N ATOM 897 CA LEU A 58 1.157 5.225 -3.189 1.00 0.00 C ATOM 898 C LEU A 58 0.808 5.313 -4.671 1.00 0.00 C ATOM 899 O LEU A 58 1.693 5.346 -5.526 1.00 0.00 O ATOM 900 CB LEU A 58 2.170 6.312 -2.826 1.00 0.00 C ATOM 901 CG LEU A 58 1.654 7.751 -2.867 1.00 0.00 C ATOM 902 CD1 LEU A 58 0.509 7.936 -1.883 1.00 0.00 C ATOM 903 CD2 LEU A 58 2.780 8.730 -2.569 1.00 0.00 C ATOM 0 H LEU A 58 2.629 3.731 -3.212 1.00 0.00 H new ATOM 0 HA LEU A 58 0.246 5.379 -2.611 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.545 6.110 -1.823 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.018 6.232 -3.506 1.00 0.00 H new ATOM 0 HG LEU A 58 1.279 7.954 -3.870 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.155 8.966 -1.926 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.306 7.261 -2.142 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.857 7.714 -0.874 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.395 9.749 -2.602 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.185 8.528 -1.578 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.568 8.616 -3.313 1.00 0.00 H new ATOM 915 N SER A 59 -0.487 5.354 -4.968 1.00 0.00 N ATOM 916 CA SER A 59 -0.953 5.438 -6.347 1.00 0.00 C ATOM 917 C SER A 59 -0.768 4.104 -7.065 1.00 0.00 C ATOM 918 O SER A 59 -0.655 4.056 -8.290 1.00 0.00 O ATOM 919 CB SER A 59 -0.203 6.541 -7.095 1.00 0.00 C ATOM 920 OG SER A 59 -0.947 6.998 -8.211 1.00 0.00 O ATOM 0 H SER A 59 -1.232 5.330 -4.272 1.00 0.00 H new ATOM 0 HA SER A 59 -2.016 5.678 -6.331 1.00 0.00 H new ATOM 0 HB2 SER A 59 -0.006 7.374 -6.420 1.00 0.00 H new ATOM 0 HB3 SER A 59 0.765 6.166 -7.428 1.00 0.00 H new ATOM 0 HG SER A 59 -0.447 6.816 -9.034 1.00 0.00 H new ATOM 926 N PHE A 60 -0.738 3.023 -6.292 1.00 0.00 N ATOM 927 CA PHE A 60 -0.565 1.688 -6.852 1.00 0.00 C ATOM 928 C PHE A 60 -1.908 1.096 -7.270 1.00 0.00 C ATOM 929 O PHE A 60 -2.920 1.289 -6.597 1.00 0.00 O ATOM 930 CB PHE A 60 0.116 0.769 -5.836 1.00 0.00 C ATOM 931 CG PHE A 60 1.615 0.788 -5.921 1.00 0.00 C ATOM 932 CD1 PHE A 60 2.326 1.931 -5.592 1.00 0.00 C ATOM 933 CD2 PHE A 60 2.314 -0.337 -6.328 1.00 0.00 C ATOM 934 CE1 PHE A 60 3.706 1.952 -5.671 1.00 0.00 C ATOM 935 CE2 PHE A 60 3.693 -0.323 -6.408 1.00 0.00 C ATOM 936 CZ PHE A 60 4.391 0.823 -6.078 1.00 0.00 C ATOM 0 H PHE A 60 -0.831 3.046 -5.277 1.00 0.00 H new ATOM 0 HA PHE A 60 0.067 1.771 -7.736 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -0.187 1.064 -4.831 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -0.236 -0.251 -5.988 1.00 0.00 H new ATOM 0 HD1 PHE A 60 1.796 2.815 -5.270 1.00 0.00 H new ATOM 0 HD2 PHE A 60 1.774 -1.236 -6.586 1.00 0.00 H new ATOM 0 HE1 PHE A 60 4.248 2.850 -5.415 1.00 0.00 H new ATOM 0 HE2 PHE A 60 4.225 -1.207 -6.728 1.00 0.00 H new ATOM 0 HZ PHE A 60 5.469 0.836 -6.138 1.00 0.00 H new ATOM 946 N ARG A 61 -1.908 0.374 -8.387 1.00 0.00 N ATOM 947 CA ARG A 61 -3.126 -0.244 -8.896 1.00 0.00 C ATOM 948 C ARG A 61 -3.197 -1.715 -8.496 1.00 0.00 C ATOM 949 O ARG A 61 -2.701 -2.588 -9.208 1.00 0.00 O ATOM 950 CB ARG A 61 -3.190 -0.116 -10.419 1.00 0.00 C ATOM 951 CG ARG A 61 -4.451 -0.707 -11.028 1.00 0.00 C ATOM 952 CD ARG A 61 -4.479 -0.527 -12.537 1.00 0.00 C ATOM 953 NE ARG A 61 -4.601 0.878 -12.918 1.00 0.00 N ATOM 954 CZ ARG A 61 -4.673 1.294 -14.178 1.00 0.00 C ATOM 955 NH1 ARG A 61 -4.635 0.418 -15.172 1.00 0.00 N ATOM 956 NH2 ARG A 61 -4.783 2.589 -14.444 1.00 0.00 N ATOM 0 H ARG A 61 -1.079 0.203 -8.956 1.00 0.00 H new ATOM 0 HA ARG A 61 -3.978 0.276 -8.458 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.126 0.938 -10.689 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.321 -0.610 -10.853 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -4.510 -1.768 -10.786 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.327 -0.230 -10.588 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -3.568 -0.942 -12.969 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.314 -1.090 -12.954 1.00 0.00 H new ATOM 0 HE ARG A 61 -4.633 1.578 -12.177 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -4.550 -0.578 -14.971 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -4.690 0.740 -16.138 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -4.812 3.266 -13.681 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -4.838 2.908 -15.411 1.00 0.00 H new ATOM 970 N VAL A 62 -3.816 -1.982 -7.350 1.00 0.00 N ATOM 971 CA VAL A 62 -3.953 -3.347 -6.855 1.00 0.00 C ATOM 972 C VAL A 62 -5.292 -3.949 -7.265 1.00 0.00 C ATOM 973 O VAL A 62 -6.350 -3.394 -6.968 1.00 0.00 O ATOM 974 CB VAL A 62 -3.824 -3.403 -5.321 1.00 0.00 C ATOM 975 CG1 VAL A 62 -3.699 -4.843 -4.848 1.00 0.00 C ATOM 976 CG2 VAL A 62 -2.636 -2.575 -4.856 1.00 0.00 C ATOM 0 H VAL A 62 -4.230 -1.271 -6.747 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.146 -3.928 -7.301 1.00 0.00 H new ATOM 0 HB VAL A 62 -4.727 -2.979 -4.882 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -3.609 -4.863 -3.762 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -4.584 -5.403 -5.149 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.814 -5.297 -5.294 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -2.560 -2.626 -3.770 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.722 -2.967 -5.303 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.773 -1.538 -5.162 1.00 0.00 H new ATOM 986 N ALA A 63 -5.239 -5.088 -7.947 1.00 0.00 N ATOM 987 CA ALA A 63 -6.448 -5.767 -8.395 1.00 0.00 C ATOM 988 C ALA A 63 -6.144 -7.194 -8.840 1.00 0.00 C ATOM 989 O ALA A 63 -5.069 -7.473 -9.369 1.00 0.00 O ATOM 990 CB ALA A 63 -7.104 -4.988 -9.525 1.00 0.00 C ATOM 0 H ALA A 63 -4.371 -5.560 -8.201 1.00 0.00 H new ATOM 0 HA ALA A 63 -7.139 -5.816 -7.554 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -8.006 -5.507 -9.849 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -7.366 -3.990 -9.174 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.411 -4.908 -10.362 1.00 0.00 H new ATOM 996 N ALA A 64 -7.098 -8.093 -8.621 1.00 0.00 N ATOM 997 CA ALA A 64 -6.932 -9.490 -9.001 1.00 0.00 C ATOM 998 C ALA A 64 -6.142 -9.616 -10.299 1.00 0.00 C ATOM 999 O ALA A 64 -6.436 -8.939 -11.285 1.00 0.00 O ATOM 1000 CB ALA A 64 -8.289 -10.165 -9.139 1.00 0.00 C ATOM 0 H ALA A 64 -7.994 -7.879 -8.182 1.00 0.00 H new ATOM 0 HA ALA A 64 -6.368 -9.990 -8.213 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -8.149 -11.208 -9.423 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.818 -10.116 -8.187 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -8.873 -9.655 -9.905 1.00 0.00 H new ATOM 1006 N VAL A 65 -5.137 -10.486 -10.293 1.00 0.00 N ATOM 1007 CA VAL A 65 -4.304 -10.701 -11.470 1.00 0.00 C ATOM 1008 C VAL A 65 -5.153 -11.054 -12.687 1.00 0.00 C ATOM 1009 O VAL A 65 -6.317 -11.432 -12.554 1.00 0.00 O ATOM 1010 CB VAL A 65 -3.275 -11.822 -11.233 1.00 0.00 C ATOM 1011 CG1 VAL A 65 -2.185 -11.353 -10.281 1.00 0.00 C ATOM 1012 CG2 VAL A 65 -3.961 -13.070 -10.699 1.00 0.00 C ATOM 0 H VAL A 65 -4.880 -11.054 -9.485 1.00 0.00 H new ATOM 0 HA VAL A 65 -3.775 -9.767 -11.658 1.00 0.00 H new ATOM 0 HB VAL A 65 -2.809 -12.072 -12.186 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -1.467 -12.158 -10.125 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -1.675 -10.490 -10.709 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.631 -11.075 -9.326 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -3.219 -13.852 -10.537 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -4.455 -12.838 -9.756 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -4.701 -13.416 -11.421 1.00 0.00 H new ATOM 1022 N GLN A 66 -4.562 -10.929 -13.870 1.00 0.00 N ATOM 1023 CA GLN A 66 -5.265 -11.236 -15.111 1.00 0.00 C ATOM 1024 C GLN A 66 -4.856 -12.605 -15.644 1.00 0.00 C ATOM 1025 O GLN A 66 -3.806 -13.145 -15.296 1.00 0.00 O ATOM 1026 CB GLN A 66 -4.982 -10.160 -16.161 1.00 0.00 C ATOM 1027 CG GLN A 66 -5.968 -9.003 -16.128 1.00 0.00 C ATOM 1028 CD GLN A 66 -5.814 -8.072 -17.314 1.00 0.00 C ATOM 1029 OE1 GLN A 66 -5.052 -7.106 -17.265 1.00 0.00 O ATOM 1030 NE2 GLN A 66 -6.538 -8.357 -18.390 1.00 0.00 N ATOM 0 H GLN A 66 -3.599 -10.618 -13.996 1.00 0.00 H new ATOM 0 HA GLN A 66 -6.334 -11.254 -14.899 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -3.975 -9.772 -16.009 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -5.003 -10.616 -17.151 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -6.984 -9.397 -16.110 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -5.828 -8.438 -15.207 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -7.157 -9.168 -18.388 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -6.475 -7.765 -19.218 1.00 0.00 H new ATOM 1039 N PRO A 67 -5.703 -13.180 -16.510 1.00 0.00 N ATOM 1040 CA PRO A 67 -5.451 -14.493 -17.111 1.00 0.00 C ATOM 1041 C PRO A 67 -4.297 -14.463 -18.108 1.00 0.00 C ATOM 1042 O PRO A 67 -3.829 -15.507 -18.562 1.00 0.00 O ATOM 1043 CB PRO A 67 -6.766 -14.816 -17.824 1.00 0.00 C ATOM 1044 CG PRO A 67 -7.378 -13.488 -18.109 1.00 0.00 C ATOM 1045 CD PRO A 67 -6.972 -12.593 -16.971 1.00 0.00 C ATOM 0 HA PRO A 67 -5.162 -15.233 -16.365 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -6.591 -15.377 -18.742 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -7.417 -15.426 -17.197 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -7.026 -13.092 -19.062 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -8.463 -13.565 -18.177 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -6.842 -11.561 -17.298 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -7.722 -12.584 -16.180 1.00 0.00 H new ATOM 1053 N SER A 68 -3.844 -13.260 -18.445 1.00 0.00 N ATOM 1054 CA SER A 68 -2.747 -13.093 -19.391 1.00 0.00 C ATOM 1055 C SER A 68 -1.487 -12.606 -18.682 1.00 0.00 C ATOM 1056 O SER A 68 -0.598 -12.024 -19.304 1.00 0.00 O ATOM 1057 CB SER A 68 -3.141 -12.107 -20.492 1.00 0.00 C ATOM 1058 OG SER A 68 -2.113 -11.987 -21.461 1.00 0.00 O ATOM 0 H SER A 68 -4.220 -12.386 -18.077 1.00 0.00 H new ATOM 0 HA SER A 68 -2.537 -14.063 -19.841 1.00 0.00 H new ATOM 0 HB2 SER A 68 -4.061 -12.442 -20.972 1.00 0.00 H new ATOM 0 HB3 SER A 68 -3.347 -11.131 -20.053 1.00 0.00 H new ATOM 0 HG SER A 68 -1.242 -11.960 -21.012 1.00 0.00 H new ATOM 1144 N LYS A 74 -4.522 -19.018 -7.975 1.00 0.00 N ATOM 1145 CA LYS A 74 -5.800 -18.360 -7.728 1.00 0.00 C ATOM 1146 C LYS A 74 -5.681 -17.349 -6.591 1.00 0.00 C ATOM 1147 O LYS A 74 -4.638 -17.247 -5.945 1.00 0.00 O ATOM 1148 CB LYS A 74 -6.875 -19.396 -7.393 1.00 0.00 C ATOM 1149 CG LYS A 74 -7.383 -20.159 -8.604 1.00 0.00 C ATOM 1150 CD LYS A 74 -8.830 -20.589 -8.425 1.00 0.00 C ATOM 1151 CE LYS A 74 -8.961 -21.679 -7.372 1.00 0.00 C ATOM 1152 NZ LYS A 74 -10.346 -22.221 -7.305 1.00 0.00 N ATOM 0 HA LYS A 74 -6.087 -17.828 -8.635 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -6.471 -20.105 -6.670 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -7.714 -18.894 -6.912 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -7.295 -19.534 -9.492 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -6.759 -21.037 -8.770 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -9.433 -19.728 -8.136 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -9.224 -20.950 -9.375 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -8.265 -22.487 -7.597 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -8.680 -21.279 -6.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -10.394 -22.961 -6.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -11.007 -21.455 -7.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -10.605 -22.626 -8.227 1.00 0.00 H new ATOM 1166 N HIS A 75 -6.757 -16.607 -6.351 1.00 0.00 N ATOM 1167 CA HIS A 75 -6.774 -15.606 -5.290 1.00 0.00 C ATOM 1168 C HIS A 75 -5.465 -14.821 -5.263 1.00 0.00 C ATOM 1169 O HIS A 75 -4.807 -14.725 -4.227 1.00 0.00 O ATOM 1170 CB HIS A 75 -7.010 -16.272 -3.935 1.00 0.00 C ATOM 1171 CG HIS A 75 -7.830 -17.523 -4.017 1.00 0.00 C ATOM 1172 ND1 HIS A 75 -9.125 -17.544 -4.492 1.00 0.00 N ATOM 1173 CD2 HIS A 75 -7.532 -18.801 -3.684 1.00 0.00 C ATOM 1174 CE1 HIS A 75 -9.588 -18.780 -4.445 1.00 0.00 C ATOM 1175 NE2 HIS A 75 -8.641 -19.562 -3.959 1.00 0.00 N ATOM 0 H HIS A 75 -7.628 -16.680 -6.876 1.00 0.00 H new ATOM 0 HA HIS A 75 -7.590 -14.912 -5.492 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -6.047 -16.508 -3.483 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -7.508 -15.564 -3.273 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -6.596 -19.156 -3.278 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -10.574 -19.097 -4.752 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -8.721 -20.568 -3.812 1.00 0.00 H new ATOM 1184 N THR A 76 -5.093 -14.261 -6.410 1.00 0.00 N ATOM 1185 CA THR A 76 -3.863 -13.487 -6.518 1.00 0.00 C ATOM 1186 C THR A 76 -4.139 -12.088 -7.058 1.00 0.00 C ATOM 1187 O THR A 76 -5.045 -11.892 -7.869 1.00 0.00 O ATOM 1188 CB THR A 76 -2.839 -14.185 -7.433 1.00 0.00 C ATOM 1189 OG1 THR A 76 -2.606 -15.522 -6.978 1.00 0.00 O ATOM 1190 CG2 THR A 76 -1.525 -13.417 -7.459 1.00 0.00 C ATOM 0 H THR A 76 -5.626 -14.329 -7.277 1.00 0.00 H new ATOM 0 HA THR A 76 -3.449 -13.410 -5.513 1.00 0.00 H new ATOM 0 HB THR A 76 -3.247 -14.212 -8.443 1.00 0.00 H new ATOM 0 HG1 THR A 76 -3.454 -15.925 -6.699 1.00 0.00 H new ATOM 0 HG21 THR A 76 -0.817 -13.929 -8.111 1.00 0.00 H new ATOM 0 HG22 THR A 76 -1.700 -12.409 -7.834 1.00 0.00 H new ATOM 0 HG23 THR A 76 -1.115 -13.363 -6.450 1.00 0.00 H new ATOM 1198 N PHE A 77 -3.353 -11.118 -6.603 1.00 0.00 N ATOM 1199 CA PHE A 77 -3.514 -9.736 -7.040 1.00 0.00 C ATOM 1200 C PHE A 77 -2.170 -9.130 -7.434 1.00 0.00 C ATOM 1201 O PHE A 77 -1.119 -9.552 -6.949 1.00 0.00 O ATOM 1202 CB PHE A 77 -4.158 -8.900 -5.933 1.00 0.00 C ATOM 1203 CG PHE A 77 -3.606 -9.189 -4.566 1.00 0.00 C ATOM 1204 CD1 PHE A 77 -4.007 -10.315 -3.866 1.00 0.00 C ATOM 1205 CD2 PHE A 77 -2.686 -8.333 -3.981 1.00 0.00 C ATOM 1206 CE1 PHE A 77 -3.500 -10.584 -2.608 1.00 0.00 C ATOM 1207 CE2 PHE A 77 -2.176 -8.597 -2.724 1.00 0.00 C ATOM 1208 CZ PHE A 77 -2.585 -9.723 -2.036 1.00 0.00 C ATOM 0 H PHE A 77 -2.599 -11.263 -5.932 1.00 0.00 H new ATOM 0 HA PHE A 77 -4.165 -9.732 -7.914 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -4.016 -7.843 -6.158 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -5.232 -9.083 -5.929 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -4.724 -10.991 -4.308 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -2.364 -7.450 -4.513 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -3.819 -11.467 -2.074 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -1.458 -7.923 -2.280 1.00 0.00 H new ATOM 0 HZ PHE A 77 -2.190 -9.929 -1.052 1.00 0.00 H new ATOM 1218 N LYS A 78 -2.211 -8.139 -8.318 1.00 0.00 N ATOM 1219 CA LYS A 78 -0.998 -7.473 -8.778 1.00 0.00 C ATOM 1220 C LYS A 78 -1.054 -5.977 -8.485 1.00 0.00 C ATOM 1221 O LYS A 78 -2.107 -5.352 -8.600 1.00 0.00 O ATOM 1222 CB LYS A 78 -0.803 -7.702 -10.279 1.00 0.00 C ATOM 1223 CG LYS A 78 -1.955 -7.191 -11.126 1.00 0.00 C ATOM 1224 CD LYS A 78 -1.517 -6.915 -12.555 1.00 0.00 C ATOM 1225 CE LYS A 78 -2.576 -6.139 -13.323 1.00 0.00 C ATOM 1226 NZ LYS A 78 -2.031 -5.547 -14.575 1.00 0.00 N ATOM 0 H LYS A 78 -3.072 -7.779 -8.730 1.00 0.00 H new ATOM 0 HA LYS A 78 -0.153 -7.900 -8.238 1.00 0.00 H new ATOM 0 HB2 LYS A 78 0.117 -7.211 -10.597 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -0.674 -8.769 -10.462 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -2.761 -7.925 -11.127 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.356 -6.278 -10.685 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -0.584 -6.351 -12.548 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -1.315 -7.858 -13.063 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -3.407 -6.802 -13.566 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -2.975 -5.346 -12.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -2.784 -5.027 -15.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -1.255 -4.895 -14.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -1.673 -6.305 -15.190 1.00 0.00 H new ATOM 1240 N ALA A 79 0.087 -5.410 -8.107 1.00 0.00 N ATOM 1241 CA ALA A 79 0.168 -3.987 -7.801 1.00 0.00 C ATOM 1242 C ALA A 79 1.201 -3.294 -8.683 1.00 0.00 C ATOM 1243 O ALA A 79 2.405 -3.423 -8.462 1.00 0.00 O ATOM 1244 CB ALA A 79 0.504 -3.782 -6.331 1.00 0.00 C ATOM 0 H ALA A 79 0.968 -5.914 -8.005 1.00 0.00 H new ATOM 0 HA ALA A 79 -0.805 -3.540 -8.006 1.00 0.00 H new ATOM 0 HB1 ALA A 79 0.561 -2.715 -6.116 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -0.272 -4.235 -5.714 1.00 0.00 H new ATOM 0 HB3 ALA A 79 1.463 -4.249 -6.109 1.00 0.00 H new ATOM 1250 N GLU A 80 0.722 -2.560 -9.682 1.00 0.00 N ATOM 1251 CA GLU A 80 1.606 -1.848 -10.598 1.00 0.00 C ATOM 1252 C GLU A 80 1.225 -0.373 -10.685 1.00 0.00 C ATOM 1253 O GLU A 80 0.055 -0.013 -10.547 1.00 0.00 O ATOM 1254 CB GLU A 80 1.553 -2.482 -11.989 1.00 0.00 C ATOM 1255 CG GLU A 80 1.861 -1.509 -13.114 1.00 0.00 C ATOM 1256 CD GLU A 80 0.722 -0.543 -13.379 1.00 0.00 C ATOM 1257 OE1 GLU A 80 -0.440 -0.907 -13.104 1.00 0.00 O ATOM 1258 OE2 GLU A 80 0.994 0.576 -13.862 1.00 0.00 O ATOM 0 H GLU A 80 -0.272 -2.443 -9.878 1.00 0.00 H new ATOM 0 HA GLU A 80 2.623 -1.921 -10.212 1.00 0.00 H new ATOM 0 HB2 GLU A 80 2.263 -3.308 -12.030 1.00 0.00 H new ATOM 0 HB3 GLU A 80 0.562 -2.906 -12.148 1.00 0.00 H new ATOM 0 HG2 GLU A 80 2.760 -0.945 -12.866 1.00 0.00 H new ATOM 0 HG3 GLU A 80 2.077 -2.069 -14.024 1.00 0.00 H new ATOM 1265 N HIS A 81 2.221 0.477 -10.914 1.00 0.00 N ATOM 1266 CA HIS A 81 1.992 1.914 -11.019 1.00 0.00 C ATOM 1267 C HIS A 81 2.419 2.433 -12.389 1.00 0.00 C ATOM 1268 O HIS A 81 3.292 1.857 -13.037 1.00 0.00 O ATOM 1269 CB HIS A 81 2.753 2.655 -9.920 1.00 0.00 C ATOM 1270 CG HIS A 81 2.325 4.080 -9.752 1.00 0.00 C ATOM 1271 ND1 HIS A 81 3.167 5.070 -9.291 1.00 0.00 N ATOM 1272 CD2 HIS A 81 1.135 4.681 -9.987 1.00 0.00 C ATOM 1273 CE1 HIS A 81 2.514 6.217 -9.249 1.00 0.00 C ATOM 1274 NE2 HIS A 81 1.278 6.009 -9.666 1.00 0.00 N ATOM 0 H HIS A 81 3.195 0.196 -11.030 1.00 0.00 H new ATOM 0 HA HIS A 81 0.924 2.097 -10.897 1.00 0.00 H new ATOM 0 HB2 HIS A 81 2.615 2.129 -8.975 1.00 0.00 H new ATOM 0 HB3 HIS A 81 3.819 2.629 -10.146 1.00 0.00 H new ATOM 0 HD1 HIS A 81 4.142 4.937 -9.024 1.00 0.00 H new ATOM 0 HD2 HIS A 81 0.239 4.205 -10.358 1.00 0.00 H new ATOM 0 HE1 HIS A 81 2.921 7.164 -8.928 1.00 0.00 H new ATOM 1316 N ARG A 85 7.155 -0.071 -10.521 1.00 0.00 N ATOM 1317 CA ARG A 85 7.256 -1.441 -11.008 1.00 0.00 C ATOM 1318 C ARG A 85 5.946 -2.193 -10.792 1.00 0.00 C ATOM 1319 O ARG A 85 5.038 -1.701 -10.120 1.00 0.00 O ATOM 1320 CB ARG A 85 8.398 -2.173 -10.301 1.00 0.00 C ATOM 1321 CG ARG A 85 9.176 -3.111 -11.210 1.00 0.00 C ATOM 1322 CD ARG A 85 10.293 -2.381 -11.939 1.00 0.00 C ATOM 1323 NE ARG A 85 10.580 -2.980 -13.240 1.00 0.00 N ATOM 1324 CZ ARG A 85 11.397 -4.014 -13.408 1.00 0.00 C ATOM 1325 NH1 ARG A 85 12.004 -4.560 -12.363 1.00 0.00 N ATOM 1326 NH2 ARG A 85 11.609 -4.503 -14.623 1.00 0.00 N ATOM 0 HA ARG A 85 7.463 -1.405 -12.078 1.00 0.00 H new ATOM 0 HB2 ARG A 85 9.084 -1.438 -9.879 1.00 0.00 H new ATOM 0 HB3 ARG A 85 7.991 -2.744 -9.467 1.00 0.00 H new ATOM 0 HG2 ARG A 85 9.597 -3.925 -10.620 1.00 0.00 H new ATOM 0 HG3 ARG A 85 8.499 -3.560 -11.936 1.00 0.00 H new ATOM 0 HD2 ARG A 85 10.015 -1.336 -12.074 1.00 0.00 H new ATOM 0 HD3 ARG A 85 11.195 -2.394 -11.327 1.00 0.00 H new ATOM 0 HE ARG A 85 10.129 -2.583 -14.064 1.00 0.00 H new ATOM 0 HH11 ARG A 85 11.844 -4.186 -11.428 1.00 0.00 H new ATOM 0 HH12 ARG A 85 12.631 -5.354 -12.495 1.00 0.00 H new ATOM 0 HH21 ARG A 85 11.145 -4.085 -15.429 1.00 0.00 H new ATOM 0 HH22 ARG A 85 12.236 -5.297 -14.751 1.00 0.00 H new ATOM 1340 N THR A 86 5.853 -3.388 -11.367 1.00 0.00 N ATOM 1341 CA THR A 86 4.654 -4.206 -11.239 1.00 0.00 C ATOM 1342 C THR A 86 4.885 -5.376 -10.289 1.00 0.00 C ATOM 1343 O THR A 86 5.545 -6.353 -10.642 1.00 0.00 O ATOM 1344 CB THR A 86 4.198 -4.752 -12.606 1.00 0.00 C ATOM 1345 OG1 THR A 86 3.990 -3.671 -13.521 1.00 0.00 O ATOM 1346 CG2 THR A 86 2.916 -5.559 -12.466 1.00 0.00 C ATOM 0 H THR A 86 6.594 -3.811 -11.926 1.00 0.00 H new ATOM 0 HA THR A 86 3.874 -3.562 -10.834 1.00 0.00 H new ATOM 0 HB THR A 86 4.980 -5.407 -12.990 1.00 0.00 H new ATOM 0 HG1 THR A 86 3.702 -4.027 -14.388 1.00 0.00 H new ATOM 0 HG21 THR A 86 2.614 -5.934 -13.444 1.00 0.00 H new ATOM 0 HG22 THR A 86 3.086 -6.399 -11.792 1.00 0.00 H new ATOM 0 HG23 THR A 86 2.128 -4.923 -12.062 1.00 0.00 H new ATOM 1354 N TYR A 87 4.337 -5.269 -9.084 1.00 0.00 N ATOM 1355 CA TYR A 87 4.485 -6.318 -8.082 1.00 0.00 C ATOM 1356 C TYR A 87 3.293 -7.269 -8.108 1.00 0.00 C ATOM 1357 O TYR A 87 2.245 -6.954 -8.672 1.00 0.00 O ATOM 1358 CB TYR A 87 4.632 -5.704 -6.688 1.00 0.00 C ATOM 1359 CG TYR A 87 5.835 -4.800 -6.548 1.00 0.00 C ATOM 1360 CD1 TYR A 87 5.979 -3.673 -7.349 1.00 0.00 C ATOM 1361 CD2 TYR A 87 6.829 -5.072 -5.617 1.00 0.00 C ATOM 1362 CE1 TYR A 87 7.077 -2.844 -7.225 1.00 0.00 C ATOM 1363 CE2 TYR A 87 7.930 -4.248 -5.485 1.00 0.00 C ATOM 1364 CZ TYR A 87 8.050 -3.136 -6.291 1.00 0.00 C ATOM 1365 OH TYR A 87 9.145 -2.313 -6.164 1.00 0.00 O ATOM 0 H TYR A 87 3.786 -4.467 -8.777 1.00 0.00 H new ATOM 0 HA TYR A 87 5.385 -6.886 -8.318 1.00 0.00 H new ATOM 0 HB2 TYR A 87 3.732 -5.136 -6.454 1.00 0.00 H new ATOM 0 HB3 TYR A 87 4.703 -6.506 -5.953 1.00 0.00 H new ATOM 0 HD1 TYR A 87 5.219 -3.442 -8.081 1.00 0.00 H new ATOM 0 HD2 TYR A 87 6.740 -5.943 -4.985 1.00 0.00 H new ATOM 0 HE1 TYR A 87 7.173 -1.972 -7.855 1.00 0.00 H new ATOM 0 HE2 TYR A 87 8.693 -4.474 -4.754 1.00 0.00 H new ATOM 0 HH TYR A 87 9.734 -2.659 -5.461 1.00 0.00 H new ATOM 1375 N PHE A 88 3.461 -8.435 -7.493 1.00 0.00 N ATOM 1376 CA PHE A 88 2.400 -9.434 -7.445 1.00 0.00 C ATOM 1377 C PHE A 88 2.331 -10.089 -6.069 1.00 0.00 C ATOM 1378 O PHE A 88 3.323 -10.138 -5.342 1.00 0.00 O ATOM 1379 CB PHE A 88 2.625 -10.500 -8.520 1.00 0.00 C ATOM 1380 CG PHE A 88 2.407 -9.998 -9.918 1.00 0.00 C ATOM 1381 CD1 PHE A 88 3.426 -9.357 -10.605 1.00 0.00 C ATOM 1382 CD2 PHE A 88 1.184 -10.167 -10.546 1.00 0.00 C ATOM 1383 CE1 PHE A 88 3.228 -8.893 -11.891 1.00 0.00 C ATOM 1384 CE2 PHE A 88 0.980 -9.705 -11.833 1.00 0.00 C ATOM 1385 CZ PHE A 88 2.004 -9.068 -12.507 1.00 0.00 C ATOM 0 H PHE A 88 4.322 -8.711 -7.021 1.00 0.00 H new ATOM 0 HA PHE A 88 1.452 -8.930 -7.635 1.00 0.00 H new ATOM 0 HB2 PHE A 88 3.642 -10.882 -8.434 1.00 0.00 H new ATOM 0 HB3 PHE A 88 1.953 -11.338 -8.335 1.00 0.00 H new ATOM 0 HD1 PHE A 88 4.386 -9.219 -10.129 1.00 0.00 H new ATOM 0 HD2 PHE A 88 0.380 -10.665 -10.024 1.00 0.00 H new ATOM 0 HE1 PHE A 88 4.030 -8.394 -12.415 1.00 0.00 H new ATOM 0 HE2 PHE A 88 0.021 -9.842 -12.311 1.00 0.00 H new ATOM 0 HZ PHE A 88 1.848 -8.708 -13.513 1.00 0.00 H new ATOM 1395 N PHE A 89 1.152 -10.592 -5.718 1.00 0.00 N ATOM 1396 CA PHE A 89 0.952 -11.243 -4.428 1.00 0.00 C ATOM 1397 C PHE A 89 -0.175 -12.269 -4.506 1.00 0.00 C ATOM 1398 O PHE A 89 -1.300 -11.944 -4.885 1.00 0.00 O ATOM 1399 CB PHE A 89 0.636 -10.203 -3.351 1.00 0.00 C ATOM 1400 CG PHE A 89 1.673 -9.121 -3.240 1.00 0.00 C ATOM 1401 CD1 PHE A 89 2.959 -9.417 -2.817 1.00 0.00 C ATOM 1402 CD2 PHE A 89 1.361 -7.809 -3.560 1.00 0.00 C ATOM 1403 CE1 PHE A 89 3.914 -8.423 -2.714 1.00 0.00 C ATOM 1404 CE2 PHE A 89 2.313 -6.812 -3.458 1.00 0.00 C ATOM 1405 CZ PHE A 89 3.591 -7.120 -3.036 1.00 0.00 C ATOM 0 H PHE A 89 0.321 -10.561 -6.308 1.00 0.00 H new ATOM 0 HA PHE A 89 1.874 -11.761 -4.164 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -0.330 -9.748 -3.569 1.00 0.00 H new ATOM 0 HB3 PHE A 89 0.542 -10.705 -2.388 1.00 0.00 H new ATOM 0 HD1 PHE A 89 3.218 -10.435 -2.565 1.00 0.00 H new ATOM 0 HD2 PHE A 89 0.363 -7.563 -3.893 1.00 0.00 H new ATOM 0 HE1 PHE A 89 4.913 -8.666 -2.382 1.00 0.00 H new ATOM 0 HE2 PHE A 89 2.057 -5.793 -3.708 1.00 0.00 H new ATOM 0 HZ PHE A 89 4.337 -6.343 -2.958 1.00 0.00 H new ATOM 1415 N SER A 90 0.137 -13.510 -4.145 1.00 0.00 N ATOM 1416 CA SER A 90 -0.848 -14.585 -4.177 1.00 0.00 C ATOM 1417 C SER A 90 -1.336 -14.917 -2.771 1.00 0.00 C ATOM 1418 O SER A 90 -0.551 -14.972 -1.826 1.00 0.00 O ATOM 1419 CB SER A 90 -0.249 -15.833 -4.829 1.00 0.00 C ATOM 1420 OG SER A 90 -1.048 -16.975 -4.574 1.00 0.00 O ATOM 0 H SER A 90 1.063 -13.796 -3.827 1.00 0.00 H new ATOM 0 HA SER A 90 -1.700 -14.247 -4.768 1.00 0.00 H new ATOM 0 HB2 SER A 90 -0.162 -15.679 -5.905 1.00 0.00 H new ATOM 0 HB3 SER A 90 0.759 -15.998 -4.448 1.00 0.00 H new ATOM 0 HG SER A 90 -0.645 -17.759 -5.003 1.00 0.00 H new ATOM 1426 N ALA A 91 -2.641 -15.137 -2.641 1.00 0.00 N ATOM 1427 CA ALA A 91 -3.236 -15.465 -1.352 1.00 0.00 C ATOM 1428 C ALA A 91 -3.674 -16.925 -1.305 1.00 0.00 C ATOM 1429 O ALA A 91 -4.323 -17.417 -2.227 1.00 0.00 O ATOM 1430 CB ALA A 91 -4.416 -14.549 -1.066 1.00 0.00 C ATOM 0 H ALA A 91 -3.306 -15.094 -3.413 1.00 0.00 H new ATOM 0 HA ALA A 91 -2.479 -15.315 -0.582 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -4.850 -14.806 -0.100 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -4.077 -13.513 -1.047 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -5.168 -14.670 -1.846 1.00 0.00 H new ATOM 1436 N GLU A 92 -3.314 -17.612 -0.225 1.00 0.00 N ATOM 1437 CA GLU A 92 -3.670 -19.016 -0.060 1.00 0.00 C ATOM 1438 C GLU A 92 -5.184 -19.191 -0.001 1.00 0.00 C ATOM 1439 O GLU A 92 -5.723 -20.194 -0.468 1.00 0.00 O ATOM 1440 CB GLU A 92 -3.030 -19.582 1.209 1.00 0.00 C ATOM 1441 CG GLU A 92 -1.551 -19.259 1.342 1.00 0.00 C ATOM 1442 CD GLU A 92 -0.864 -20.096 2.403 1.00 0.00 C ATOM 1443 OE1 GLU A 92 -1.540 -20.494 3.374 1.00 0.00 O ATOM 1444 OE2 GLU A 92 0.350 -20.354 2.262 1.00 0.00 O ATOM 0 H GLU A 92 -2.777 -17.219 0.548 1.00 0.00 H new ATOM 0 HA GLU A 92 -3.292 -19.563 -0.924 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -3.558 -19.190 2.078 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -3.159 -20.664 1.219 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -1.060 -19.421 0.382 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -1.434 -18.203 1.586 1.00 0.00 H new ATOM 1451 N SER A 93 -5.865 -18.207 0.578 1.00 0.00 N ATOM 1452 CA SER A 93 -7.317 -18.252 0.703 1.00 0.00 C ATOM 1453 C SER A 93 -7.966 -17.117 -0.083 1.00 0.00 C ATOM 1454 O SER A 93 -7.404 -16.032 -0.235 1.00 0.00 O ATOM 1455 CB SER A 93 -7.726 -18.168 2.174 1.00 0.00 C ATOM 1456 OG SER A 93 -7.421 -19.370 2.859 1.00 0.00 O ATOM 0 H SER A 93 -5.434 -17.369 0.968 1.00 0.00 H new ATOM 0 HA SER A 93 -7.663 -19.200 0.291 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.211 -17.334 2.651 1.00 0.00 H new ATOM 0 HB3 SER A 93 -8.795 -17.966 2.246 1.00 0.00 H new ATOM 0 HG SER A 93 -7.691 -19.289 3.798 1.00 0.00 H new ATOM 1462 N PRO A 94 -9.179 -17.371 -0.596 1.00 0.00 N ATOM 1463 CA PRO A 94 -9.932 -16.384 -1.375 1.00 0.00 C ATOM 1464 C PRO A 94 -10.430 -15.226 -0.516 1.00 0.00 C ATOM 1465 O PRO A 94 -10.703 -14.139 -1.024 1.00 0.00 O ATOM 1466 CB PRO A 94 -11.113 -17.190 -1.922 1.00 0.00 C ATOM 1467 CG PRO A 94 -11.287 -18.310 -0.956 1.00 0.00 C ATOM 1468 CD PRO A 94 -9.909 -18.642 -0.454 1.00 0.00 C ATOM 0 HA PRO A 94 -9.319 -15.922 -2.149 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -12.013 -16.579 -1.986 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -10.908 -17.561 -2.926 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -11.942 -18.019 -0.135 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -11.745 -19.174 -1.438 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -9.929 -18.980 0.582 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -9.449 -19.438 -1.040 1.00 0.00 H new ATOM 1476 N GLU A 95 -10.546 -15.468 0.786 1.00 0.00 N ATOM 1477 CA GLU A 95 -11.011 -14.443 1.714 1.00 0.00 C ATOM 1478 C GLU A 95 -9.933 -13.388 1.945 1.00 0.00 C ATOM 1479 O GLU A 95 -10.232 -12.249 2.302 1.00 0.00 O ATOM 1480 CB GLU A 95 -11.415 -15.077 3.047 1.00 0.00 C ATOM 1481 CG GLU A 95 -10.301 -15.875 3.703 1.00 0.00 C ATOM 1482 CD GLU A 95 -10.615 -16.241 5.141 1.00 0.00 C ATOM 1483 OE1 GLU A 95 -11.391 -17.196 5.354 1.00 0.00 O ATOM 1484 OE2 GLU A 95 -10.085 -15.572 6.053 1.00 0.00 O ATOM 0 H GLU A 95 -10.325 -16.363 1.222 1.00 0.00 H new ATOM 0 HA GLU A 95 -11.881 -13.957 1.273 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -11.739 -14.292 3.730 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -12.272 -15.731 2.884 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -10.125 -16.786 3.130 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -9.378 -15.296 3.672 1.00 0.00 H new ATOM 1491 N GLU A 96 -8.679 -13.777 1.740 1.00 0.00 N ATOM 1492 CA GLU A 96 -7.556 -12.866 1.927 1.00 0.00 C ATOM 1493 C GLU A 96 -7.349 -11.996 0.691 1.00 0.00 C ATOM 1494 O GLU A 96 -7.243 -10.774 0.790 1.00 0.00 O ATOM 1495 CB GLU A 96 -6.279 -13.650 2.232 1.00 0.00 C ATOM 1496 CG GLU A 96 -6.062 -13.908 3.714 1.00 0.00 C ATOM 1497 CD GLU A 96 -5.196 -15.126 3.973 1.00 0.00 C ATOM 1498 OE1 GLU A 96 -5.745 -16.246 4.023 1.00 0.00 O ATOM 1499 OE2 GLU A 96 -3.968 -14.957 4.127 1.00 0.00 O ATOM 0 H GLU A 96 -8.415 -14.717 1.444 1.00 0.00 H new ATOM 0 HA GLU A 96 -7.785 -12.217 2.772 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -6.315 -14.605 1.707 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -5.423 -13.102 1.838 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -5.596 -13.033 4.167 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -7.028 -14.043 4.201 1.00 0.00 H new ATOM 1506 N GLN A 97 -7.293 -12.636 -0.473 1.00 0.00 N ATOM 1507 CA GLN A 97 -7.098 -11.921 -1.729 1.00 0.00 C ATOM 1508 C GLN A 97 -7.928 -10.642 -1.762 1.00 0.00 C ATOM 1509 O GLN A 97 -7.385 -9.540 -1.825 1.00 0.00 O ATOM 1510 CB GLN A 97 -7.469 -12.816 -2.912 1.00 0.00 C ATOM 1511 CG GLN A 97 -7.478 -12.087 -4.246 1.00 0.00 C ATOM 1512 CD GLN A 97 -8.418 -12.722 -5.252 1.00 0.00 C ATOM 1513 OE1 GLN A 97 -9.508 -13.175 -4.901 1.00 0.00 O ATOM 1514 NE2 GLN A 97 -8.000 -12.760 -6.512 1.00 0.00 N ATOM 0 H GLN A 97 -7.380 -13.647 -0.572 1.00 0.00 H new ATOM 0 HA GLN A 97 -6.045 -11.650 -1.804 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -6.763 -13.645 -2.965 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -8.455 -13.247 -2.736 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -7.770 -11.049 -4.086 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -6.468 -12.075 -4.656 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -7.089 -12.373 -6.759 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -8.590 -13.176 -7.233 1.00 0.00 H new ATOM 1523 N GLU A 98 -9.248 -10.798 -1.720 1.00 0.00 N ATOM 1524 CA GLU A 98 -10.153 -9.655 -1.747 1.00 0.00 C ATOM 1525 C GLU A 98 -9.830 -8.680 -0.619 1.00 0.00 C ATOM 1526 O GLU A 98 -9.691 -7.478 -0.845 1.00 0.00 O ATOM 1527 CB GLU A 98 -11.605 -10.123 -1.633 1.00 0.00 C ATOM 1528 CG GLU A 98 -12.055 -11.000 -2.789 1.00 0.00 C ATOM 1529 CD GLU A 98 -13.504 -11.430 -2.665 1.00 0.00 C ATOM 1530 OE1 GLU A 98 -13.811 -12.222 -1.749 1.00 0.00 O ATOM 1531 OE2 GLU A 98 -14.330 -10.976 -3.484 1.00 0.00 O ATOM 0 H GLU A 98 -9.714 -11.704 -1.667 1.00 0.00 H new ATOM 0 HA GLU A 98 -10.020 -9.140 -2.698 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -11.728 -10.674 -0.701 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -12.256 -9.250 -1.576 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -11.919 -10.459 -3.725 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -11.420 -11.885 -2.838 1.00 0.00 H new ATOM 1538 N ALA A 99 -9.715 -9.206 0.596 1.00 0.00 N ATOM 1539 CA ALA A 99 -9.408 -8.383 1.759 1.00 0.00 C ATOM 1540 C ALA A 99 -8.231 -7.456 1.480 1.00 0.00 C ATOM 1541 O ALA A 99 -8.249 -6.283 1.855 1.00 0.00 O ATOM 1542 CB ALA A 99 -9.115 -9.263 2.965 1.00 0.00 C ATOM 0 H ALA A 99 -9.830 -10.199 0.800 1.00 0.00 H new ATOM 0 HA ALA A 99 -10.279 -7.765 1.977 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -8.887 -8.635 3.827 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -9.986 -9.880 3.186 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -8.261 -9.905 2.748 1.00 0.00 H new ATOM 1548 N TRP A 100 -7.208 -7.988 0.820 1.00 0.00 N ATOM 1549 CA TRP A 100 -6.021 -7.206 0.492 1.00 0.00 C ATOM 1550 C TRP A 100 -6.334 -6.163 -0.575 1.00 0.00 C ATOM 1551 O TRP A 100 -6.204 -4.961 -0.337 1.00 0.00 O ATOM 1552 CB TRP A 100 -4.898 -8.126 0.010 1.00 0.00 C ATOM 1553 CG TRP A 100 -4.148 -8.785 1.128 1.00 0.00 C ATOM 1554 CD1 TRP A 100 -4.339 -10.049 1.608 1.00 0.00 C ATOM 1555 CD2 TRP A 100 -3.092 -8.213 1.906 1.00 0.00 C ATOM 1556 NE1 TRP A 100 -3.464 -10.297 2.638 1.00 0.00 N ATOM 1557 CE2 TRP A 100 -2.687 -9.187 2.840 1.00 0.00 C ATOM 1558 CE3 TRP A 100 -2.446 -6.973 1.904 1.00 0.00 C ATOM 1559 CZ2 TRP A 100 -1.669 -8.957 3.761 1.00 0.00 C ATOM 1560 CZ3 TRP A 100 -1.435 -6.747 2.818 1.00 0.00 C ATOM 1561 CH2 TRP A 100 -1.054 -7.735 3.736 1.00 0.00 C ATOM 0 H TRP A 100 -7.177 -8.957 0.502 1.00 0.00 H new ATOM 0 HA TRP A 100 -5.696 -6.688 1.394 1.00 0.00 H new ATOM 0 HB2 TRP A 100 -5.320 -8.895 -0.637 1.00 0.00 H new ATOM 0 HB3 TRP A 100 -4.200 -7.548 -0.595 1.00 0.00 H new ATOM 0 HD1 TRP A 100 -5.070 -10.750 1.233 1.00 0.00 H new ATOM 0 HE1 TRP A 100 -3.403 -11.167 3.167 1.00 0.00 H new ATOM 0 HE3 TRP A 100 -2.732 -6.205 1.200 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 -1.375 -9.716 4.470 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 -0.930 -5.793 2.825 1.00 0.00 H new ATOM 0 HH2 TRP A 100 -0.259 -7.528 4.437 1.00 0.00 H new ATOM 1572 N ILE A 101 -6.746 -6.628 -1.749 1.00 0.00 N ATOM 1573 CA ILE A 101 -7.078 -5.734 -2.851 1.00 0.00 C ATOM 1574 C ILE A 101 -7.765 -4.470 -2.345 1.00 0.00 C ATOM 1575 O ILE A 101 -7.647 -3.404 -2.949 1.00 0.00 O ATOM 1576 CB ILE A 101 -7.993 -6.424 -3.880 1.00 0.00 C ATOM 1577 CG1 ILE A 101 -7.274 -7.616 -4.515 1.00 0.00 C ATOM 1578 CG2 ILE A 101 -8.432 -5.433 -4.947 1.00 0.00 C ATOM 1579 CD1 ILE A 101 -8.171 -8.470 -5.384 1.00 0.00 C ATOM 0 H ILE A 101 -6.858 -7.619 -1.962 1.00 0.00 H new ATOM 0 HA ILE A 101 -6.138 -5.466 -3.334 1.00 0.00 H new ATOM 0 HB ILE A 101 -8.881 -6.791 -3.366 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -6.441 -7.250 -5.116 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -6.849 -8.236 -3.726 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -9.078 -5.936 -5.667 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -8.978 -4.613 -4.480 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -7.555 -5.039 -5.460 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -7.595 -9.296 -5.801 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -8.990 -8.866 -4.783 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -8.576 -7.864 -6.195 1.00 0.00 H new ATOM 1591 N GLN A 102 -8.480 -4.597 -1.232 1.00 0.00 N ATOM 1592 CA GLN A 102 -9.184 -3.463 -0.644 1.00 0.00 C ATOM 1593 C GLN A 102 -8.305 -2.745 0.375 1.00 0.00 C ATOM 1594 O GLN A 102 -8.177 -1.522 0.345 1.00 0.00 O ATOM 1595 CB GLN A 102 -10.480 -3.931 0.022 1.00 0.00 C ATOM 1596 CG GLN A 102 -11.411 -4.678 -0.917 1.00 0.00 C ATOM 1597 CD GLN A 102 -12.871 -4.518 -0.542 1.00 0.00 C ATOM 1598 OE1 GLN A 102 -13.329 -3.415 -0.240 1.00 0.00 O ATOM 1599 NE2 GLN A 102 -13.612 -5.620 -0.558 1.00 0.00 N ATOM 0 H GLN A 102 -8.587 -5.472 -0.720 1.00 0.00 H new ATOM 0 HA GLN A 102 -9.426 -2.763 -1.444 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -10.233 -4.577 0.865 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -11.004 -3.065 0.427 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -11.260 -4.318 -1.935 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -11.153 -5.737 -0.912 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -13.192 -6.513 -0.814 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -14.601 -5.573 -0.314 1.00 0.00 H new ATOM 1608 N ALA A 103 -7.703 -3.514 1.276 1.00 0.00 N ATOM 1609 CA ALA A 103 -6.835 -2.951 2.303 1.00 0.00 C ATOM 1610 C ALA A 103 -5.689 -2.161 1.680 1.00 0.00 C ATOM 1611 O ALA A 103 -5.564 -0.956 1.897 1.00 0.00 O ATOM 1612 CB ALA A 103 -6.291 -4.055 3.198 1.00 0.00 C ATOM 0 H ALA A 103 -7.800 -4.529 1.316 1.00 0.00 H new ATOM 0 HA ALA A 103 -7.428 -2.266 2.909 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -5.644 -3.620 3.960 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -7.120 -4.575 3.679 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -5.719 -4.762 2.597 1.00 0.00 H new ATOM 1618 N MET A 104 -4.855 -2.847 0.906 1.00 0.00 N ATOM 1619 CA MET A 104 -3.719 -2.208 0.251 1.00 0.00 C ATOM 1620 C MET A 104 -4.185 -1.301 -0.883 1.00 0.00 C ATOM 1621 O MET A 104 -3.563 -0.279 -1.169 1.00 0.00 O ATOM 1622 CB MET A 104 -2.753 -3.265 -0.289 1.00 0.00 C ATOM 1623 CG MET A 104 -3.302 -4.040 -1.476 1.00 0.00 C ATOM 1624 SD MET A 104 -2.643 -5.715 -1.577 1.00 0.00 S ATOM 1625 CE MET A 104 -0.903 -5.412 -1.275 1.00 0.00 C ATOM 0 H MET A 104 -4.944 -3.845 0.717 1.00 0.00 H new ATOM 0 HA MET A 104 -3.201 -1.598 0.991 1.00 0.00 H new ATOM 0 HB2 MET A 104 -1.822 -2.779 -0.582 1.00 0.00 H new ATOM 0 HB3 MET A 104 -2.509 -3.965 0.510 1.00 0.00 H new ATOM 0 HG2 MET A 104 -4.389 -4.085 -1.404 1.00 0.00 H new ATOM 0 HG3 MET A 104 -3.065 -3.505 -2.395 1.00 0.00 H new ATOM 0 HE1 MET A 104 -0.312 -6.210 -1.723 1.00 0.00 H new ATOM 0 HE2 MET A 104 -0.618 -4.457 -1.717 1.00 0.00 H new ATOM 0 HE3 MET A 104 -0.720 -5.384 -0.201 1.00 0.00 H new ATOM 1635 N GLY A 105 -5.284 -1.683 -1.527 1.00 0.00 N ATOM 1636 CA GLY A 105 -5.814 -0.892 -2.622 1.00 0.00 C ATOM 1637 C GLY A 105 -6.207 0.507 -2.191 1.00 0.00 C ATOM 1638 O GLY A 105 -5.797 1.490 -2.806 1.00 0.00 O ATOM 0 H GLY A 105 -5.816 -2.526 -1.310 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -5.068 -0.828 -3.414 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -6.684 -1.397 -3.043 1.00 0.00 H new ATOM 1642 N GLU A 106 -7.006 0.595 -1.132 1.00 0.00 N ATOM 1643 CA GLU A 106 -7.457 1.885 -0.622 1.00 0.00 C ATOM 1644 C GLU A 106 -6.269 2.787 -0.299 1.00 0.00 C ATOM 1645 O GLU A 106 -6.274 3.975 -0.618 1.00 0.00 O ATOM 1646 CB GLU A 106 -8.319 1.691 0.627 1.00 0.00 C ATOM 1647 CG GLU A 106 -7.522 1.682 1.921 1.00 0.00 C ATOM 1648 CD GLU A 106 -8.399 1.493 3.144 1.00 0.00 C ATOM 1649 OE1 GLU A 106 -9.244 2.373 3.409 1.00 0.00 O ATOM 1650 OE2 GLU A 106 -8.239 0.465 3.835 1.00 0.00 O ATOM 0 H GLU A 106 -7.354 -0.210 -0.611 1.00 0.00 H new ATOM 0 HA GLU A 106 -8.055 2.365 -1.396 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -9.062 2.488 0.673 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -8.864 0.751 0.539 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -6.782 0.883 1.882 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -6.974 2.620 2.013 1.00 0.00 H new ATOM 1657 N ALA A 107 -5.253 2.213 0.338 1.00 0.00 N ATOM 1658 CA ALA A 107 -4.059 2.963 0.703 1.00 0.00 C ATOM 1659 C ALA A 107 -3.421 3.612 -0.521 1.00 0.00 C ATOM 1660 O ALA A 107 -2.823 4.683 -0.427 1.00 0.00 O ATOM 1661 CB ALA A 107 -3.058 2.055 1.403 1.00 0.00 C ATOM 0 H ALA A 107 -5.234 1.231 0.612 1.00 0.00 H new ATOM 0 HA ALA A 107 -4.355 3.756 1.389 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -2.171 2.629 1.670 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -3.509 1.644 2.306 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -2.776 1.241 0.735 1.00 0.00 H new ATOM 1667 N ALA A 108 -3.554 2.955 -1.669 1.00 0.00 N ATOM 1668 CA ALA A 108 -2.992 3.468 -2.912 1.00 0.00 C ATOM 1669 C ALA A 108 -3.882 4.553 -3.510 1.00 0.00 C ATOM 1670 O ALA A 108 -3.391 5.548 -4.043 1.00 0.00 O ATOM 1671 CB ALA A 108 -2.793 2.336 -3.909 1.00 0.00 C ATOM 0 H ALA A 108 -4.046 2.067 -1.764 1.00 0.00 H new ATOM 0 HA ALA A 108 -2.023 3.913 -2.687 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -2.373 2.734 -4.833 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -2.111 1.597 -3.489 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -3.753 1.865 -4.121 1.00 0.00 H new ATOM 1677 N ARG A 109 -5.193 4.352 -3.420 1.00 0.00 N ATOM 1678 CA ARG A 109 -6.151 5.312 -3.954 1.00 0.00 C ATOM 1679 C ARG A 109 -6.311 6.502 -3.012 1.00 0.00 C ATOM 1680 O ARG A 109 -5.963 6.426 -1.834 1.00 0.00 O ATOM 1681 CB ARG A 109 -7.507 4.640 -4.179 1.00 0.00 C ATOM 1682 CG ARG A 109 -8.409 4.665 -2.956 1.00 0.00 C ATOM 1683 CD ARG A 109 -9.678 3.858 -3.184 1.00 0.00 C ATOM 1684 NE ARG A 109 -10.637 4.571 -4.023 1.00 0.00 N ATOM 1685 CZ ARG A 109 -11.414 5.553 -3.580 1.00 0.00 C ATOM 1686 NH1 ARG A 109 -11.346 5.936 -2.313 1.00 0.00 N ATOM 1687 NH2 ARG A 109 -12.262 6.153 -4.406 1.00 0.00 N ATOM 0 H ARG A 109 -5.615 3.533 -2.982 1.00 0.00 H new ATOM 0 HA ARG A 109 -5.770 5.675 -4.909 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -8.016 5.136 -5.006 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -7.345 3.605 -4.479 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -7.871 4.264 -2.097 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -8.670 5.696 -2.716 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -9.424 2.907 -3.652 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -10.138 3.627 -2.223 1.00 0.00 H new ATOM 0 HE ARG A 109 -10.715 4.300 -5.003 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -10.696 5.476 -1.675 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -11.944 6.690 -1.975 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -12.317 5.860 -5.381 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -12.858 6.907 -4.065 1.00 0.00 H new