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 27 GLN : amide:sc= -0.445 X(o=-0.9,f=-0.49) USER MOD Set 1.2: A 29 ASN : amide:sc= -0.452 K(o=-0.9,f=-0.17) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 175:sc= -0.0176 (180deg=-0.0593) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= -1.5 K(o=-1.5,f=-3!) USER MOD Single : A 30 LYS NZ :NH3+ -138:sc= 1.2 (180deg=0.111) USER MOD Single : A 39 CYS SG : rot 44:sc= 0.265 USER MOD Single : A 42 TYR OH : rot 150:sc= -0.761 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 160:sc= -0.06 (180deg=-0.364) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 126:sc= 0.862 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -0.0395 X(o=-0.04,f=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000931) USER MOD Single : A 75 HIS : no HD1:sc= -3.19! K(o=-3.2!,f=-4) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 HIS : no HD1:sc= -1.95! K(o=-1.9!,f=-0.87) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 150:sc= 0.0796 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= -2.69! C(o=-2.7!,f=-4.9!) USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 104 MET CE :methyl -173:sc= 0 (180deg=-0.073) USER MOD ----------------------------------------------------------------- ATOM 104 N VAL A 11 -0.895 -1.333 12.781 1.00 0.00 N ATOM 105 CA VAL A 11 -0.912 -2.187 11.599 1.00 0.00 C ATOM 106 C VAL A 11 -2.314 -2.281 11.009 1.00 0.00 C ATOM 107 O VAL A 11 -3.295 -2.459 11.733 1.00 0.00 O ATOM 108 CB VAL A 11 -0.409 -3.606 11.925 1.00 0.00 C ATOM 109 CG1 VAL A 11 -0.475 -4.493 10.691 1.00 0.00 C ATOM 110 CG2 VAL A 11 1.007 -3.555 12.480 1.00 0.00 C ATOM 0 HA VAL A 11 -0.243 -1.730 10.869 1.00 0.00 H new ATOM 0 HB VAL A 11 -1.058 -4.036 12.687 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.116 -5.491 10.941 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.506 -4.555 10.342 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.149 -4.069 9.904 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.346 -4.566 12.705 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.671 -3.105 11.742 1.00 0.00 H new ATOM 0 HG23 VAL A 11 1.019 -2.957 13.391 1.00 0.00 H new ATOM 120 N THR A 12 -2.404 -2.159 9.688 1.00 0.00 N ATOM 121 CA THR A 12 -3.686 -2.228 8.999 1.00 0.00 C ATOM 122 C THR A 12 -4.016 -3.660 8.594 1.00 0.00 C ATOM 123 O THR A 12 -5.149 -4.116 8.750 1.00 0.00 O ATOM 124 CB THR A 12 -3.699 -1.336 7.744 1.00 0.00 C ATOM 125 OG1 THR A 12 -3.227 -0.024 8.070 1.00 0.00 O ATOM 126 CG2 THR A 12 -5.100 -1.246 7.158 1.00 0.00 C ATOM 0 H THR A 12 -1.603 -2.012 9.074 1.00 0.00 H new ATOM 0 HA THR A 12 -4.440 -1.868 9.699 1.00 0.00 H new ATOM 0 HB THR A 12 -3.040 -1.784 7.000 1.00 0.00 H new ATOM 0 HG1 THR A 12 -3.237 0.536 7.266 1.00 0.00 H new ATOM 0 HG21 THR A 12 -5.084 -0.611 6.272 1.00 0.00 H new ATOM 0 HG22 THR A 12 -5.444 -2.243 6.883 1.00 0.00 H new ATOM 0 HG23 THR A 12 -5.777 -0.820 7.898 1.00 0.00 H new ATOM 134 N LYS A 13 -3.018 -4.368 8.074 1.00 0.00 N ATOM 135 CA LYS A 13 -3.201 -5.750 7.648 1.00 0.00 C ATOM 136 C LYS A 13 -1.871 -6.497 7.642 1.00 0.00 C ATOM 137 O LYS A 13 -0.818 -5.907 7.407 1.00 0.00 O ATOM 138 CB LYS A 13 -3.831 -5.797 6.254 1.00 0.00 C ATOM 139 CG LYS A 13 -4.186 -7.200 5.794 1.00 0.00 C ATOM 140 CD LYS A 13 -5.133 -7.175 4.606 1.00 0.00 C ATOM 141 CE LYS A 13 -5.782 -8.532 4.382 1.00 0.00 C ATOM 142 NZ LYS A 13 -6.873 -8.793 5.361 1.00 0.00 N ATOM 0 H LYS A 13 -2.074 -4.007 7.938 1.00 0.00 H new ATOM 0 HA LYS A 13 -3.869 -6.238 8.358 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.732 -5.184 6.251 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -3.141 -5.353 5.537 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -3.276 -7.736 5.524 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.647 -7.748 6.616 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.905 -6.424 4.771 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -4.587 -6.879 3.710 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -6.183 -8.580 3.370 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -5.027 -9.314 4.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -7.346 -9.688 5.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -6.472 -8.857 6.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -7.564 -8.017 5.326 1.00 0.00 H new ATOM 156 N ALA A 14 -1.929 -7.800 7.899 1.00 0.00 N ATOM 157 CA ALA A 14 -0.729 -8.628 7.919 1.00 0.00 C ATOM 158 C ALA A 14 -1.071 -10.095 7.678 1.00 0.00 C ATOM 159 O ALA A 14 -2.010 -10.629 8.267 1.00 0.00 O ATOM 160 CB ALA A 14 0.002 -8.465 9.244 1.00 0.00 C ATOM 0 H ALA A 14 -2.793 -8.304 8.096 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.075 -8.297 7.112 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.896 -9.089 9.245 1.00 0.00 H new ATOM 0 HB2 ALA A 14 0.287 -7.421 9.376 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.653 -8.768 10.061 1.00 0.00 H new ATOM 166 N GLY A 15 -0.302 -10.741 6.807 1.00 0.00 N ATOM 167 CA GLY A 15 -0.540 -12.140 6.503 1.00 0.00 C ATOM 168 C GLY A 15 0.525 -12.726 5.596 1.00 0.00 C ATOM 169 O GLY A 15 1.271 -11.991 4.950 1.00 0.00 O ATOM 0 H GLY A 15 0.481 -10.321 6.307 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -0.575 -12.709 7.432 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -1.515 -12.244 6.028 1.00 0.00 H new ATOM 173 N TRP A 16 0.596 -14.051 5.550 1.00 0.00 N ATOM 174 CA TRP A 16 1.579 -14.735 4.717 1.00 0.00 C ATOM 175 C TRP A 16 1.194 -14.653 3.244 1.00 0.00 C ATOM 176 O TRP A 16 0.249 -15.308 2.802 1.00 0.00 O ATOM 177 CB TRP A 16 1.709 -16.198 5.143 1.00 0.00 C ATOM 178 CG TRP A 16 2.449 -16.377 6.434 1.00 0.00 C ATOM 179 CD1 TRP A 16 1.902 -16.555 7.673 1.00 0.00 C ATOM 180 CD2 TRP A 16 3.869 -16.393 6.613 1.00 0.00 C ATOM 181 NE1 TRP A 16 2.898 -16.681 8.612 1.00 0.00 N ATOM 182 CE2 TRP A 16 4.113 -16.586 7.987 1.00 0.00 C ATOM 183 CE3 TRP A 16 4.958 -16.266 5.747 1.00 0.00 C ATOM 184 CZ2 TRP A 16 5.401 -16.653 8.512 1.00 0.00 C ATOM 185 CZ3 TRP A 16 6.236 -16.332 6.269 1.00 0.00 C ATOM 186 CH2 TRP A 16 6.449 -16.525 7.641 1.00 0.00 C ATOM 0 H TRP A 16 -0.015 -14.673 6.079 1.00 0.00 H new ATOM 0 HA TRP A 16 2.540 -14.239 4.850 1.00 0.00 H new ATOM 0 HB2 TRP A 16 0.713 -16.631 5.240 1.00 0.00 H new ATOM 0 HB3 TRP A 16 2.222 -16.753 4.358 1.00 0.00 H new ATOM 0 HD1 TRP A 16 0.843 -16.591 7.884 1.00 0.00 H new ATOM 0 HE1 TRP A 16 2.755 -16.822 9.612 1.00 0.00 H new ATOM 0 HE3 TRP A 16 4.804 -16.119 4.688 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 5.567 -16.801 9.569 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 7.085 -16.233 5.609 1.00 0.00 H new ATOM 0 HH2 TRP A 16 7.460 -16.574 8.018 1.00 0.00 H new ATOM 197 N LEU A 17 1.931 -13.847 2.488 1.00 0.00 N ATOM 198 CA LEU A 17 1.667 -13.681 1.063 1.00 0.00 C ATOM 199 C LEU A 17 2.879 -14.092 0.233 1.00 0.00 C ATOM 200 O LEU A 17 3.999 -13.650 0.490 1.00 0.00 O ATOM 201 CB LEU A 17 1.296 -12.228 0.759 1.00 0.00 C ATOM 202 CG LEU A 17 -0.173 -11.854 0.964 1.00 0.00 C ATOM 203 CD1 LEU A 17 -0.375 -10.360 0.769 1.00 0.00 C ATOM 204 CD2 LEU A 17 -1.062 -12.643 0.014 1.00 0.00 C ATOM 0 H LEU A 17 2.716 -13.298 2.838 1.00 0.00 H new ATOM 0 HA LEU A 17 0.831 -14.327 0.796 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.907 -11.579 1.387 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.564 -12.014 -0.276 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.453 -12.107 1.986 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.426 -10.112 0.919 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.233 -9.813 1.490 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.077 -10.081 -0.242 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.103 -12.364 0.174 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.781 -12.421 -1.016 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.939 -13.710 0.202 1.00 0.00 H new ATOM 216 N PHE A 18 2.646 -14.938 -0.765 1.00 0.00 N ATOM 217 CA PHE A 18 3.719 -15.408 -1.634 1.00 0.00 C ATOM 218 C PHE A 18 4.079 -14.351 -2.674 1.00 0.00 C ATOM 219 O PHE A 18 3.260 -13.991 -3.519 1.00 0.00 O ATOM 220 CB PHE A 18 3.307 -16.707 -2.332 1.00 0.00 C ATOM 221 CG PHE A 18 3.227 -17.886 -1.405 1.00 0.00 C ATOM 222 CD1 PHE A 18 2.390 -17.861 -0.301 1.00 0.00 C ATOM 223 CD2 PHE A 18 3.989 -19.019 -1.638 1.00 0.00 C ATOM 224 CE1 PHE A 18 2.316 -18.945 0.554 1.00 0.00 C ATOM 225 CE2 PHE A 18 3.919 -20.106 -0.787 1.00 0.00 C ATOM 226 CZ PHE A 18 3.080 -20.069 0.310 1.00 0.00 C ATOM 0 H PHE A 18 1.725 -15.312 -0.992 1.00 0.00 H new ATOM 0 HA PHE A 18 4.596 -15.598 -1.016 1.00 0.00 H new ATOM 0 HB2 PHE A 18 2.337 -16.563 -2.808 1.00 0.00 H new ATOM 0 HB3 PHE A 18 4.022 -16.926 -3.125 1.00 0.00 H new ATOM 0 HD1 PHE A 18 1.789 -16.985 -0.106 1.00 0.00 H new ATOM 0 HD2 PHE A 18 4.646 -19.054 -2.495 1.00 0.00 H new ATOM 0 HE1 PHE A 18 1.661 -18.913 1.412 1.00 0.00 H new ATOM 0 HE2 PHE A 18 4.519 -20.983 -0.979 1.00 0.00 H new ATOM 0 HZ PHE A 18 3.022 -20.918 0.975 1.00 0.00 H new ATOM 236 N LYS A 19 5.310 -13.857 -2.605 1.00 0.00 N ATOM 237 CA LYS A 19 5.782 -12.842 -3.539 1.00 0.00 C ATOM 238 C LYS A 19 6.378 -13.485 -4.787 1.00 0.00 C ATOM 239 O LYS A 19 7.077 -14.495 -4.701 1.00 0.00 O ATOM 240 CB LYS A 19 6.824 -11.946 -2.867 1.00 0.00 C ATOM 241 CG LYS A 19 6.882 -10.542 -3.443 1.00 0.00 C ATOM 242 CD LYS A 19 8.206 -9.865 -3.132 1.00 0.00 C ATOM 243 CE LYS A 19 8.107 -8.354 -3.278 1.00 0.00 C ATOM 244 NZ LYS A 19 9.427 -7.691 -3.085 1.00 0.00 N ATOM 0 H LYS A 19 6.000 -14.144 -1.911 1.00 0.00 H new ATOM 0 HA LYS A 19 4.928 -12.234 -3.838 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.604 -11.883 -1.801 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.806 -12.410 -2.963 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.739 -10.585 -4.523 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.064 -9.947 -3.037 1.00 0.00 H new ATOM 0 HD2 LYS A 19 8.514 -10.114 -2.116 1.00 0.00 H new ATOM 0 HD3 LYS A 19 8.977 -10.247 -3.801 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.719 -8.109 -4.267 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.395 -7.965 -2.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 9.318 -6.662 -3.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 9.786 -7.904 -2.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 10.100 -8.044 -3.795 1.00 0.00 H new ATOM 258 N GLN A 20 6.098 -12.894 -5.943 1.00 0.00 N ATOM 259 CA GLN A 20 6.607 -13.410 -7.208 1.00 0.00 C ATOM 260 C GLN A 20 8.039 -12.944 -7.449 1.00 0.00 C ATOM 261 O GLN A 20 8.331 -11.750 -7.391 1.00 0.00 O ATOM 262 CB GLN A 20 5.711 -12.963 -8.364 1.00 0.00 C ATOM 263 CG GLN A 20 6.080 -13.592 -9.698 1.00 0.00 C ATOM 264 CD GLN A 20 5.264 -13.039 -10.850 1.00 0.00 C ATOM 265 OE1 GLN A 20 5.370 -11.861 -11.192 1.00 0.00 O ATOM 266 NE2 GLN A 20 4.442 -13.888 -11.455 1.00 0.00 N ATOM 0 H GLN A 20 5.521 -12.057 -6.030 1.00 0.00 H new ATOM 0 HA GLN A 20 6.602 -14.499 -7.155 1.00 0.00 H new ATOM 0 HB2 GLN A 20 4.676 -13.212 -8.128 1.00 0.00 H new ATOM 0 HB3 GLN A 20 5.765 -11.878 -8.456 1.00 0.00 H new ATOM 0 HG2 GLN A 20 7.139 -13.424 -9.894 1.00 0.00 H new ATOM 0 HG3 GLN A 20 5.934 -14.671 -9.639 1.00 0.00 H new ATOM 0 HE21 GLN A 20 4.386 -14.856 -11.139 1.00 0.00 H new ATOM 0 HE22 GLN A 20 3.867 -13.572 -12.236 1.00 0.00 H new ATOM 275 N ALA A 21 8.929 -13.894 -7.718 1.00 0.00 N ATOM 276 CA ALA A 21 10.330 -13.580 -7.970 1.00 0.00 C ATOM 277 C ALA A 21 10.508 -12.920 -9.333 1.00 0.00 C ATOM 278 O ALA A 21 10.436 -13.582 -10.368 1.00 0.00 O ATOM 279 CB ALA A 21 11.178 -14.839 -7.875 1.00 0.00 C ATOM 0 H ALA A 21 8.704 -14.888 -7.767 1.00 0.00 H new ATOM 0 HA ALA A 21 10.662 -12.874 -7.208 1.00 0.00 H new ATOM 0 HB1 ALA A 21 12.222 -14.590 -8.065 1.00 0.00 H new ATOM 0 HB2 ALA A 21 11.083 -15.267 -6.877 1.00 0.00 H new ATOM 0 HB3 ALA A 21 10.837 -15.564 -8.614 1.00 0.00 H new ATOM 352 N GLN A 27 9.147 -17.782 -10.368 1.00 0.00 N ATOM 353 CA GLN A 27 8.602 -18.603 -9.294 1.00 0.00 C ATOM 354 C GLN A 27 8.061 -17.732 -8.164 1.00 0.00 C ATOM 355 O GLN A 27 8.154 -16.506 -8.214 1.00 0.00 O ATOM 356 CB GLN A 27 9.673 -19.552 -8.754 1.00 0.00 C ATOM 357 CG GLN A 27 10.886 -18.837 -8.181 1.00 0.00 C ATOM 358 CD GLN A 27 11.687 -19.712 -7.237 1.00 0.00 C ATOM 359 OE1 GLN A 27 11.634 -20.939 -7.314 1.00 0.00 O ATOM 360 NE2 GLN A 27 12.436 -19.083 -6.339 1.00 0.00 N ATOM 0 HA GLN A 27 7.779 -19.190 -9.702 1.00 0.00 H new ATOM 0 HB2 GLN A 27 9.233 -20.181 -7.980 1.00 0.00 H new ATOM 0 HB3 GLN A 27 9.998 -20.215 -9.556 1.00 0.00 H new ATOM 0 HG2 GLN A 27 11.528 -18.507 -8.998 1.00 0.00 H new ATOM 0 HG3 GLN A 27 10.559 -17.942 -7.652 1.00 0.00 H new ATOM 0 HE21 GLN A 27 12.450 -18.063 -6.311 1.00 0.00 H new ATOM 0 HE22 GLN A 27 12.997 -19.619 -5.677 1.00 0.00 H new ATOM 369 N TRP A 28 7.496 -18.374 -7.148 1.00 0.00 N ATOM 370 CA TRP A 28 6.939 -17.657 -6.006 1.00 0.00 C ATOM 371 C TRP A 28 7.644 -18.060 -4.715 1.00 0.00 C ATOM 372 O TRP A 28 8.183 -19.160 -4.609 1.00 0.00 O ATOM 373 CB TRP A 28 5.439 -17.929 -5.889 1.00 0.00 C ATOM 374 CG TRP A 28 4.661 -17.497 -7.095 1.00 0.00 C ATOM 375 CD1 TRP A 28 4.670 -18.082 -8.330 1.00 0.00 C ATOM 376 CD2 TRP A 28 3.761 -16.387 -7.183 1.00 0.00 C ATOM 377 NE1 TRP A 28 3.831 -17.402 -9.179 1.00 0.00 N ATOM 378 CE2 TRP A 28 3.260 -16.359 -8.499 1.00 0.00 C ATOM 379 CE3 TRP A 28 3.328 -15.415 -6.276 1.00 0.00 C ATOM 380 CZ2 TRP A 28 2.351 -15.396 -8.928 1.00 0.00 C ATOM 381 CZ3 TRP A 28 2.426 -14.460 -6.704 1.00 0.00 C ATOM 382 CH2 TRP A 28 1.944 -14.457 -8.020 1.00 0.00 C ATOM 0 H TRP A 28 7.411 -19.389 -7.091 1.00 0.00 H new ATOM 0 HA TRP A 28 7.096 -16.590 -6.166 1.00 0.00 H new ATOM 0 HB2 TRP A 28 5.282 -18.995 -5.727 1.00 0.00 H new ATOM 0 HB3 TRP A 28 5.051 -17.413 -5.011 1.00 0.00 H new ATOM 0 HD1 TRP A 28 5.251 -18.951 -8.599 1.00 0.00 H new ATOM 0 HE1 TRP A 28 3.661 -17.636 -10.157 1.00 0.00 H new ATOM 0 HE3 TRP A 28 3.692 -15.411 -5.259 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 1.980 -15.390 -9.942 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 2.087 -13.703 -6.013 1.00 0.00 H new ATOM 0 HH2 TRP A 28 1.237 -13.699 -8.323 1.00 0.00 H new ATOM 393 N ASN A 29 7.635 -17.161 -3.736 1.00 0.00 N ATOM 394 CA ASN A 29 8.273 -17.423 -2.452 1.00 0.00 C ATOM 395 C ASN A 29 7.432 -16.874 -1.303 1.00 0.00 C ATOM 396 O ASN A 29 6.964 -15.736 -1.350 1.00 0.00 O ATOM 397 CB ASN A 29 9.671 -16.802 -2.417 1.00 0.00 C ATOM 398 CG ASN A 29 10.686 -17.618 -3.194 1.00 0.00 C ATOM 399 OD1 ASN A 29 10.816 -18.825 -2.989 1.00 0.00 O ATOM 400 ND2 ASN A 29 11.412 -16.961 -4.091 1.00 0.00 N ATOM 0 H ASN A 29 7.193 -16.245 -3.808 1.00 0.00 H new ATOM 0 HA ASN A 29 8.359 -18.503 -2.332 1.00 0.00 H new ATOM 0 HB2 ASN A 29 9.628 -15.794 -2.829 1.00 0.00 H new ATOM 0 HB3 ASN A 29 9.999 -16.710 -1.382 1.00 0.00 H new ATOM 0 HD21 ASN A 29 12.111 -17.457 -4.643 1.00 0.00 H new ATOM 0 HD22 ASN A 29 11.270 -15.960 -4.228 1.00 0.00 H new ATOM 407 N LYS A 30 7.244 -17.691 -0.272 1.00 0.00 N ATOM 408 CA LYS A 30 6.461 -17.288 0.890 1.00 0.00 C ATOM 409 C LYS A 30 7.196 -16.225 1.700 1.00 0.00 C ATOM 410 O LYS A 30 8.356 -16.406 2.070 1.00 0.00 O ATOM 411 CB LYS A 30 6.162 -18.501 1.774 1.00 0.00 C ATOM 412 CG LYS A 30 5.182 -18.208 2.897 1.00 0.00 C ATOM 413 CD LYS A 30 4.660 -19.487 3.530 1.00 0.00 C ATOM 414 CE LYS A 30 4.308 -19.281 4.995 1.00 0.00 C ATOM 415 NZ LYS A 30 5.495 -19.442 5.879 1.00 0.00 N ATOM 0 H LYS A 30 7.623 -18.636 -0.218 1.00 0.00 H new ATOM 0 HA LYS A 30 5.522 -16.864 0.535 1.00 0.00 H new ATOM 0 HB2 LYS A 30 5.761 -19.303 1.153 1.00 0.00 H new ATOM 0 HB3 LYS A 30 7.095 -18.866 2.203 1.00 0.00 H new ATOM 0 HG2 LYS A 30 5.670 -17.598 3.657 1.00 0.00 H new ATOM 0 HG3 LYS A 30 4.346 -17.626 2.509 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.779 -19.829 2.988 1.00 0.00 H new ATOM 0 HD3 LYS A 30 5.412 -20.271 3.442 1.00 0.00 H new ATOM 0 HE2 LYS A 30 3.887 -18.285 5.131 1.00 0.00 H new ATOM 0 HE3 LYS A 30 3.538 -19.995 5.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 5.226 -19.982 6.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 6.243 -19.952 5.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 5.846 -18.505 6.162 1.00 0.00 H new ATOM 429 N ARG A 31 6.514 -15.118 1.972 1.00 0.00 N ATOM 430 CA ARG A 31 7.102 -14.026 2.738 1.00 0.00 C ATOM 431 C ARG A 31 6.041 -13.310 3.568 1.00 0.00 C ATOM 432 O ARG A 31 4.905 -13.138 3.126 1.00 0.00 O ATOM 433 CB ARG A 31 7.790 -13.031 1.802 1.00 0.00 C ATOM 434 CG ARG A 31 8.989 -12.335 2.427 1.00 0.00 C ATOM 435 CD ARG A 31 10.224 -13.222 2.402 1.00 0.00 C ATOM 436 NE ARG A 31 10.868 -13.226 1.091 1.00 0.00 N ATOM 437 CZ ARG A 31 11.699 -14.178 0.684 1.00 0.00 C ATOM 438 NH1 ARG A 31 11.985 -15.199 1.481 1.00 0.00 N ATOM 439 NH2 ARG A 31 12.247 -14.112 -0.523 1.00 0.00 N ATOM 0 H ARG A 31 5.553 -14.953 1.673 1.00 0.00 H new ATOM 0 HA ARG A 31 7.843 -14.449 3.416 1.00 0.00 H new ATOM 0 HB2 ARG A 31 8.113 -13.555 0.903 1.00 0.00 H new ATOM 0 HB3 ARG A 31 7.066 -12.279 1.490 1.00 0.00 H new ATOM 0 HG2 ARG A 31 9.194 -11.409 1.890 1.00 0.00 H new ATOM 0 HG3 ARG A 31 8.757 -12.062 3.456 1.00 0.00 H new ATOM 0 HD2 ARG A 31 10.934 -12.877 3.154 1.00 0.00 H new ATOM 0 HD3 ARG A 31 9.945 -14.240 2.672 1.00 0.00 H new ATOM 0 HE ARG A 31 10.668 -12.455 0.453 1.00 0.00 H new ATOM 0 HH11 ARG A 31 11.566 -15.254 2.409 1.00 0.00 H new ATOM 0 HH12 ARG A 31 12.624 -15.929 1.165 1.00 0.00 H new ATOM 0 HH21 ARG A 31 12.030 -13.329 -1.140 1.00 0.00 H new ATOM 0 HH22 ARG A 31 12.885 -14.844 -0.834 1.00 0.00 H new ATOM 453 N TRP A 32 6.419 -12.895 4.771 1.00 0.00 N ATOM 454 CA TRP A 32 5.500 -12.198 5.664 1.00 0.00 C ATOM 455 C TRP A 32 5.310 -10.750 5.226 1.00 0.00 C ATOM 456 O TRP A 32 6.271 -9.986 5.140 1.00 0.00 O ATOM 457 CB TRP A 32 6.018 -12.246 7.102 1.00 0.00 C ATOM 458 CG TRP A 32 5.028 -11.739 8.107 1.00 0.00 C ATOM 459 CD1 TRP A 32 5.203 -10.704 8.980 1.00 0.00 C ATOM 460 CD2 TRP A 32 3.710 -12.246 8.342 1.00 0.00 C ATOM 461 NE1 TRP A 32 4.074 -10.537 9.745 1.00 0.00 N ATOM 462 CE2 TRP A 32 3.143 -11.470 9.372 1.00 0.00 C ATOM 463 CE3 TRP A 32 2.952 -13.278 7.782 1.00 0.00 C ATOM 464 CZ2 TRP A 32 1.855 -11.696 9.852 1.00 0.00 C ATOM 465 CZ3 TRP A 32 1.675 -13.502 8.260 1.00 0.00 C ATOM 466 CH2 TRP A 32 1.137 -12.714 9.285 1.00 0.00 C ATOM 0 H TRP A 32 7.356 -13.029 5.151 1.00 0.00 H new ATOM 0 HA TRP A 32 4.535 -12.702 5.617 1.00 0.00 H new ATOM 0 HB2 TRP A 32 6.284 -13.273 7.351 1.00 0.00 H new ATOM 0 HB3 TRP A 32 6.931 -11.655 7.172 1.00 0.00 H new ATOM 0 HD1 TRP A 32 6.098 -10.104 9.058 1.00 0.00 H new ATOM 0 HE1 TRP A 32 3.949 -9.833 10.472 1.00 0.00 H new ATOM 0 HE3 TRP A 32 3.357 -13.890 6.990 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 1.438 -11.090 10.643 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 1.082 -14.298 7.836 1.00 0.00 H new ATOM 0 HH2 TRP A 32 0.135 -12.914 9.635 1.00 0.00 H new ATOM 477 N PHE A 33 4.064 -10.378 4.951 1.00 0.00 N ATOM 478 CA PHE A 33 3.748 -9.021 4.522 1.00 0.00 C ATOM 479 C PHE A 33 2.901 -8.302 5.568 1.00 0.00 C ATOM 480 O PHE A 33 1.993 -8.889 6.157 1.00 0.00 O ATOM 481 CB PHE A 33 3.012 -9.045 3.181 1.00 0.00 C ATOM 482 CG PHE A 33 3.925 -9.193 1.998 1.00 0.00 C ATOM 483 CD1 PHE A 33 4.464 -8.078 1.378 1.00 0.00 C ATOM 484 CD2 PHE A 33 4.245 -10.448 1.506 1.00 0.00 C ATOM 485 CE1 PHE A 33 5.304 -8.211 0.289 1.00 0.00 C ATOM 486 CE2 PHE A 33 5.084 -10.588 0.416 1.00 0.00 C ATOM 487 CZ PHE A 33 5.615 -9.468 -0.192 1.00 0.00 C ATOM 0 H PHE A 33 3.257 -10.998 5.018 1.00 0.00 H new ATOM 0 HA PHE A 33 4.685 -8.477 4.404 1.00 0.00 H new ATOM 0 HB2 PHE A 33 2.297 -9.868 3.183 1.00 0.00 H new ATOM 0 HB3 PHE A 33 2.438 -8.124 3.074 1.00 0.00 H new ATOM 0 HD1 PHE A 33 4.225 -7.093 1.750 1.00 0.00 H new ATOM 0 HD2 PHE A 33 3.834 -11.327 1.980 1.00 0.00 H new ATOM 0 HE1 PHE A 33 5.717 -7.333 -0.186 1.00 0.00 H new ATOM 0 HE2 PHE A 33 5.324 -11.572 0.041 1.00 0.00 H new ATOM 0 HZ PHE A 33 6.272 -9.574 -1.042 1.00 0.00 H new ATOM 497 N VAL A 34 3.204 -7.028 5.793 1.00 0.00 N ATOM 498 CA VAL A 34 2.471 -6.228 6.767 1.00 0.00 C ATOM 499 C VAL A 34 2.114 -4.860 6.197 1.00 0.00 C ATOM 500 O VAL A 34 2.974 -3.988 6.061 1.00 0.00 O ATOM 501 CB VAL A 34 3.283 -6.037 8.062 1.00 0.00 C ATOM 502 CG1 VAL A 34 2.475 -5.257 9.088 1.00 0.00 C ATOM 503 CG2 VAL A 34 3.715 -7.383 8.622 1.00 0.00 C ATOM 0 H VAL A 34 3.952 -6.527 5.314 1.00 0.00 H new ATOM 0 HA VAL A 34 1.555 -6.772 6.999 1.00 0.00 H new ATOM 0 HB VAL A 34 4.179 -5.462 7.828 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.064 -5.132 9.996 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.220 -4.278 8.683 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.560 -5.802 9.321 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.288 -7.230 9.537 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.834 -7.985 8.842 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.334 -7.900 7.889 1.00 0.00 H new ATOM 513 N LEU A 35 0.840 -4.677 5.866 1.00 0.00 N ATOM 514 CA LEU A 35 0.368 -3.413 5.311 1.00 0.00 C ATOM 515 C LEU A 35 0.484 -2.291 6.337 1.00 0.00 C ATOM 516 O LEU A 35 -0.025 -2.401 7.453 1.00 0.00 O ATOM 517 CB LEU A 35 -1.083 -3.548 4.847 1.00 0.00 C ATOM 518 CG LEU A 35 -1.810 -2.241 4.527 1.00 0.00 C ATOM 519 CD1 LEU A 35 -1.089 -1.486 3.421 1.00 0.00 C ATOM 520 CD2 LEU A 35 -3.254 -2.516 4.134 1.00 0.00 C ATOM 0 H LEU A 35 0.116 -5.388 5.972 1.00 0.00 H new ATOM 0 HA LEU A 35 0.995 -3.163 4.455 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.102 -4.178 3.958 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -1.644 -4.072 5.621 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.810 -1.619 5.422 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.621 -0.559 3.207 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.073 -1.256 3.740 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.056 -2.101 2.522 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.756 -1.575 3.910 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.275 -3.157 3.253 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.767 -3.013 4.957 1.00 0.00 H new ATOM 532 N VAL A 36 1.154 -1.209 5.951 1.00 0.00 N ATOM 533 CA VAL A 36 1.333 -0.065 6.836 1.00 0.00 C ATOM 534 C VAL A 36 0.743 1.201 6.224 1.00 0.00 C ATOM 535 O VAL A 36 0.214 1.177 5.113 1.00 0.00 O ATOM 536 CB VAL A 36 2.822 0.175 7.149 1.00 0.00 C ATOM 537 CG1 VAL A 36 3.483 0.963 6.028 1.00 0.00 C ATOM 538 CG2 VAL A 36 2.977 0.894 8.481 1.00 0.00 C ATOM 0 H VAL A 36 1.581 -1.102 5.031 1.00 0.00 H new ATOM 0 HA VAL A 36 0.807 -0.296 7.762 1.00 0.00 H new ATOM 0 HB VAL A 36 3.320 -0.792 7.224 1.00 0.00 H new ATOM 0 HG11 VAL A 36 4.534 1.123 6.267 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.403 0.405 5.095 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.985 1.926 5.918 1.00 0.00 H new ATOM 0 HG21 VAL A 36 4.035 1.055 8.686 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.465 1.855 8.437 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.542 0.287 9.275 1.00 0.00 H new ATOM 548 N ASP A 37 0.838 2.305 6.957 1.00 0.00 N ATOM 549 CA ASP A 37 0.316 3.583 6.485 1.00 0.00 C ATOM 550 C ASP A 37 0.838 3.901 5.088 1.00 0.00 C ATOM 551 O ASP A 37 2.036 4.101 4.893 1.00 0.00 O ATOM 552 CB ASP A 37 0.698 4.703 7.454 1.00 0.00 C ATOM 553 CG ASP A 37 -0.338 4.907 8.542 1.00 0.00 C ATOM 554 OD1 ASP A 37 -0.949 3.908 8.974 1.00 0.00 O ATOM 555 OD2 ASP A 37 -0.536 6.066 8.961 1.00 0.00 O ATOM 0 H ASP A 37 1.271 2.341 7.880 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.770 3.509 6.438 1.00 0.00 H new ATOM 0 HB2 ASP A 37 1.660 4.471 7.911 1.00 0.00 H new ATOM 0 HB3 ASP A 37 0.825 5.632 6.899 1.00 0.00 H new ATOM 560 N ARG A 38 -0.071 3.945 4.118 1.00 0.00 N ATOM 561 CA ARG A 38 0.298 4.237 2.738 1.00 0.00 C ATOM 562 C ARG A 38 1.613 3.555 2.372 1.00 0.00 C ATOM 563 O ARG A 38 2.447 4.129 1.670 1.00 0.00 O ATOM 564 CB ARG A 38 0.419 5.747 2.529 1.00 0.00 C ATOM 565 CG ARG A 38 -0.918 6.470 2.521 1.00 0.00 C ATOM 566 CD ARG A 38 -0.794 7.865 1.930 1.00 0.00 C ATOM 567 NE ARG A 38 -2.090 8.409 1.533 1.00 0.00 N ATOM 568 CZ ARG A 38 -2.238 9.365 0.622 1.00 0.00 C ATOM 569 NH1 ARG A 38 -1.176 9.879 0.018 1.00 0.00 N ATOM 570 NH2 ARG A 38 -3.451 9.807 0.314 1.00 0.00 N ATOM 0 H ARG A 38 -1.067 3.782 4.263 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.486 3.849 2.088 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.044 6.165 3.318 1.00 0.00 H new ATOM 0 HB3 ARG A 38 0.930 5.935 1.584 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -1.641 5.893 1.945 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -1.302 6.538 3.539 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -0.331 8.528 2.661 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -0.133 7.834 1.064 1.00 0.00 H new ATOM 0 HE ARG A 38 -2.927 8.035 1.979 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -0.243 9.541 0.252 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -1.292 10.613 -0.681 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -4.270 9.413 0.777 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -3.564 10.541 -0.385 1.00 0.00 H new ATOM 584 N CYS A 39 1.792 2.329 2.851 1.00 0.00 N ATOM 585 CA CYS A 39 3.006 1.569 2.575 1.00 0.00 C ATOM 586 C CYS A 39 2.826 0.102 2.949 1.00 0.00 C ATOM 587 O CYS A 39 1.806 -0.283 3.523 1.00 0.00 O ATOM 588 CB CYS A 39 4.189 2.162 3.341 1.00 0.00 C ATOM 589 SG CYS A 39 5.127 3.396 2.410 1.00 0.00 S ATOM 0 H CYS A 39 1.112 1.840 3.433 1.00 0.00 H new ATOM 0 HA CYS A 39 3.208 1.630 1.506 1.00 0.00 H new ATOM 0 HB2 CYS A 39 3.821 2.618 4.260 1.00 0.00 H new ATOM 0 HB3 CYS A 39 4.861 1.355 3.633 1.00 0.00 H new ATOM 0 HG CYS A 39 4.304 4.198 1.801 1.00 0.00 H new ATOM 595 N LEU A 40 3.821 -0.714 2.619 1.00 0.00 N ATOM 596 CA LEU A 40 3.773 -2.141 2.920 1.00 0.00 C ATOM 597 C LEU A 40 5.177 -2.705 3.108 1.00 0.00 C ATOM 598 O LEU A 40 6.032 -2.577 2.231 1.00 0.00 O ATOM 599 CB LEU A 40 3.054 -2.894 1.799 1.00 0.00 C ATOM 600 CG LEU A 40 3.207 -4.415 1.807 1.00 0.00 C ATOM 601 CD1 LEU A 40 2.618 -5.004 3.079 1.00 0.00 C ATOM 602 CD2 LEU A 40 2.545 -5.024 0.579 1.00 0.00 C ATOM 0 H LEU A 40 4.671 -0.412 2.143 1.00 0.00 H new ATOM 0 HA LEU A 40 3.221 -2.273 3.851 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.992 -2.655 1.851 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.419 -2.517 0.843 1.00 0.00 H new ATOM 0 HG LEU A 40 4.270 -4.654 1.779 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.736 -6.088 3.067 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.137 -4.592 3.945 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.558 -4.755 3.139 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.664 -6.107 0.601 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.484 -4.775 0.577 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.013 -4.626 -0.322 1.00 0.00 H new ATOM 614 N PHE A 41 5.408 -3.333 4.256 1.00 0.00 N ATOM 615 CA PHE A 41 6.709 -3.919 4.559 1.00 0.00 C ATOM 616 C PHE A 41 6.629 -5.443 4.570 1.00 0.00 C ATOM 617 O PHE A 41 5.574 -6.018 4.836 1.00 0.00 O ATOM 618 CB PHE A 41 7.217 -3.414 5.911 1.00 0.00 C ATOM 619 CG PHE A 41 7.617 -1.966 5.898 1.00 0.00 C ATOM 620 CD1 PHE A 41 8.880 -1.586 5.472 1.00 0.00 C ATOM 621 CD2 PHE A 41 6.730 -0.985 6.311 1.00 0.00 C ATOM 622 CE1 PHE A 41 9.250 -0.254 5.460 1.00 0.00 C ATOM 623 CE2 PHE A 41 7.094 0.349 6.301 1.00 0.00 C ATOM 624 CZ PHE A 41 8.356 0.714 5.874 1.00 0.00 C ATOM 0 H PHE A 41 4.711 -3.449 4.992 1.00 0.00 H new ATOM 0 HA PHE A 41 7.408 -3.615 3.780 1.00 0.00 H new ATOM 0 HB2 PHE A 41 6.439 -3.561 6.660 1.00 0.00 H new ATOM 0 HB3 PHE A 41 8.072 -4.016 6.217 1.00 0.00 H new ATOM 0 HD1 PHE A 41 9.583 -2.339 5.146 1.00 0.00 H new ATOM 0 HD2 PHE A 41 5.742 -1.266 6.645 1.00 0.00 H new ATOM 0 HE1 PHE A 41 10.238 0.029 5.127 1.00 0.00 H new ATOM 0 HE2 PHE A 41 6.393 1.104 6.626 1.00 0.00 H new ATOM 0 HZ PHE A 41 8.643 1.755 5.864 1.00 0.00 H new ATOM 634 N TYR A 42 7.753 -6.089 4.280 1.00 0.00 N ATOM 635 CA TYR A 42 7.811 -7.546 4.253 1.00 0.00 C ATOM 636 C TYR A 42 9.076 -8.054 4.937 1.00 0.00 C ATOM 637 O TYR A 42 10.160 -7.500 4.752 1.00 0.00 O ATOM 638 CB TYR A 42 7.759 -8.053 2.810 1.00 0.00 C ATOM 639 CG TYR A 42 9.038 -7.816 2.039 1.00 0.00 C ATOM 640 CD1 TYR A 42 10.124 -8.671 2.177 1.00 0.00 C ATOM 641 CD2 TYR A 42 9.159 -6.738 1.171 1.00 0.00 C ATOM 642 CE1 TYR A 42 11.294 -8.458 1.475 1.00 0.00 C ATOM 643 CE2 TYR A 42 10.325 -6.518 0.464 1.00 0.00 C ATOM 644 CZ TYR A 42 11.390 -7.380 0.619 1.00 0.00 C ATOM 645 OH TYR A 42 12.553 -7.165 -0.083 1.00 0.00 O ATOM 0 H TYR A 42 8.636 -5.627 4.060 1.00 0.00 H new ATOM 0 HA TYR A 42 6.947 -7.928 4.797 1.00 0.00 H new ATOM 0 HB2 TYR A 42 7.541 -9.121 2.817 1.00 0.00 H new ATOM 0 HB3 TYR A 42 6.935 -7.563 2.291 1.00 0.00 H new ATOM 0 HD1 TYR A 42 10.052 -9.517 2.845 1.00 0.00 H new ATOM 0 HD2 TYR A 42 8.327 -6.060 1.047 1.00 0.00 H new ATOM 0 HE1 TYR A 42 12.130 -9.132 1.595 1.00 0.00 H new ATOM 0 HE2 TYR A 42 10.402 -5.675 -0.207 1.00 0.00 H new ATOM 0 HH TYR A 42 12.345 -6.726 -0.934 1.00 0.00 H new ATOM 655 N TYR A 43 8.930 -9.111 5.728 1.00 0.00 N ATOM 656 CA TYR A 43 10.060 -9.693 6.442 1.00 0.00 C ATOM 657 C TYR A 43 10.254 -11.156 6.054 1.00 0.00 C ATOM 658 O TYR A 43 9.336 -11.805 5.552 1.00 0.00 O ATOM 659 CB TYR A 43 9.849 -9.579 7.953 1.00 0.00 C ATOM 660 CG TYR A 43 9.318 -8.232 8.389 1.00 0.00 C ATOM 661 CD1 TYR A 43 8.000 -7.869 8.139 1.00 0.00 C ATOM 662 CD2 TYR A 43 10.133 -7.324 9.054 1.00 0.00 C ATOM 663 CE1 TYR A 43 7.511 -6.639 8.536 1.00 0.00 C ATOM 664 CE2 TYR A 43 9.652 -6.093 9.455 1.00 0.00 C ATOM 665 CZ TYR A 43 8.340 -5.755 9.193 1.00 0.00 C ATOM 666 OH TYR A 43 7.856 -4.530 9.591 1.00 0.00 O ATOM 0 H TYR A 43 8.040 -9.582 5.891 1.00 0.00 H new ATOM 0 HA TYR A 43 10.957 -9.139 6.164 1.00 0.00 H new ATOM 0 HB2 TYR A 43 9.155 -10.355 8.274 1.00 0.00 H new ATOM 0 HB3 TYR A 43 10.796 -9.768 8.459 1.00 0.00 H new ATOM 0 HD1 TYR A 43 7.347 -8.560 7.626 1.00 0.00 H new ATOM 0 HD2 TYR A 43 11.160 -7.585 9.261 1.00 0.00 H new ATOM 0 HE1 TYR A 43 6.485 -6.372 8.333 1.00 0.00 H new ATOM 0 HE2 TYR A 43 10.299 -5.399 9.971 1.00 0.00 H new ATOM 0 HH TYR A 43 8.567 -4.028 10.041 1.00 0.00 H new ATOM 676 N LYS A 44 11.456 -11.669 6.290 1.00 0.00 N ATOM 677 CA LYS A 44 11.774 -13.056 5.968 1.00 0.00 C ATOM 678 C LYS A 44 10.684 -13.995 6.475 1.00 0.00 C ATOM 679 O LYS A 44 10.210 -14.864 5.742 1.00 0.00 O ATOM 680 CB LYS A 44 13.122 -13.446 6.578 1.00 0.00 C ATOM 681 CG LYS A 44 13.835 -14.552 5.819 1.00 0.00 C ATOM 682 CD LYS A 44 14.606 -14.005 4.629 1.00 0.00 C ATOM 683 CE LYS A 44 15.887 -13.312 5.067 1.00 0.00 C ATOM 684 NZ LYS A 44 16.916 -13.318 3.990 1.00 0.00 N ATOM 0 H LYS A 44 12.227 -11.145 6.704 1.00 0.00 H new ATOM 0 HA LYS A 44 11.833 -13.147 4.883 1.00 0.00 H new ATOM 0 HB2 LYS A 44 13.765 -12.566 6.611 1.00 0.00 H new ATOM 0 HB3 LYS A 44 12.966 -13.766 7.608 1.00 0.00 H new ATOM 0 HG2 LYS A 44 14.520 -15.072 6.489 1.00 0.00 H new ATOM 0 HG3 LYS A 44 13.107 -15.286 5.475 1.00 0.00 H new ATOM 0 HD2 LYS A 44 14.847 -14.819 3.945 1.00 0.00 H new ATOM 0 HD3 LYS A 44 13.980 -13.302 4.080 1.00 0.00 H new ATOM 0 HE2 LYS A 44 15.665 -12.284 5.351 1.00 0.00 H new ATOM 0 HE3 LYS A 44 16.284 -13.809 5.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 17.774 -12.837 4.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 17.147 -14.300 3.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 16.546 -12.822 3.154 1.00 0.00 H new ATOM 698 N ASP A 45 10.290 -13.814 7.730 1.00 0.00 N ATOM 699 CA ASP A 45 9.253 -14.644 8.333 1.00 0.00 C ATOM 700 C ASP A 45 8.438 -13.845 9.345 1.00 0.00 C ATOM 701 O ASP A 45 8.717 -12.673 9.594 1.00 0.00 O ATOM 702 CB ASP A 45 9.878 -15.864 9.012 1.00 0.00 C ATOM 703 CG ASP A 45 10.946 -16.518 8.158 1.00 0.00 C ATOM 704 OD1 ASP A 45 12.102 -16.047 8.192 1.00 0.00 O ATOM 705 OD2 ASP A 45 10.626 -17.499 7.455 1.00 0.00 O ATOM 0 H ASP A 45 10.673 -13.100 8.350 1.00 0.00 H new ATOM 0 HA ASP A 45 8.585 -14.981 7.541 1.00 0.00 H new ATOM 0 HB2 ASP A 45 10.313 -15.563 9.965 1.00 0.00 H new ATOM 0 HB3 ASP A 45 9.098 -16.592 9.234 1.00 0.00 H new ATOM 710 N GLU A 46 7.429 -14.488 9.925 1.00 0.00 N ATOM 711 CA GLU A 46 6.572 -13.836 10.908 1.00 0.00 C ATOM 712 C GLU A 46 7.406 -13.163 11.995 1.00 0.00 C ATOM 713 O GLU A 46 7.109 -12.046 12.420 1.00 0.00 O ATOM 714 CB GLU A 46 5.617 -14.852 11.539 1.00 0.00 C ATOM 715 CG GLU A 46 6.323 -16.029 12.190 1.00 0.00 C ATOM 716 CD GLU A 46 5.355 -17.043 12.767 1.00 0.00 C ATOM 717 OE1 GLU A 46 4.679 -17.735 11.978 1.00 0.00 O ATOM 718 OE2 GLU A 46 5.274 -17.144 14.010 1.00 0.00 O ATOM 0 H GLU A 46 7.185 -15.459 9.731 1.00 0.00 H new ATOM 0 HA GLU A 46 5.990 -13.071 10.394 1.00 0.00 H new ATOM 0 HB2 GLU A 46 5.006 -14.347 12.287 1.00 0.00 H new ATOM 0 HB3 GLU A 46 4.939 -15.225 10.772 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.960 -16.519 11.453 1.00 0.00 H new ATOM 0 HG3 GLU A 46 6.976 -15.663 12.983 1.00 0.00 H new ATOM 725 N LYS A 47 8.452 -13.851 12.441 1.00 0.00 N ATOM 726 CA LYS A 47 9.330 -13.322 13.477 1.00 0.00 C ATOM 727 C LYS A 47 9.633 -11.847 13.233 1.00 0.00 C ATOM 728 O LYS A 47 9.817 -11.078 14.176 1.00 0.00 O ATOM 729 CB LYS A 47 10.635 -14.120 13.525 1.00 0.00 C ATOM 730 CG LYS A 47 10.575 -15.330 14.442 1.00 0.00 C ATOM 731 CD LYS A 47 11.940 -15.658 15.022 1.00 0.00 C ATOM 732 CE LYS A 47 12.228 -14.837 16.270 1.00 0.00 C ATOM 733 NZ LYS A 47 11.344 -15.224 17.404 1.00 0.00 N ATOM 0 H LYS A 47 8.712 -14.777 12.101 1.00 0.00 H new ATOM 0 HA LYS A 47 8.818 -13.416 14.435 1.00 0.00 H new ATOM 0 HB2 LYS A 47 10.886 -14.451 12.517 1.00 0.00 H new ATOM 0 HB3 LYS A 47 11.440 -13.464 13.855 1.00 0.00 H new ATOM 0 HG2 LYS A 47 9.871 -15.139 15.252 1.00 0.00 H new ATOM 0 HG3 LYS A 47 10.198 -16.189 13.888 1.00 0.00 H new ATOM 0 HD2 LYS A 47 11.988 -16.720 15.265 1.00 0.00 H new ATOM 0 HD3 LYS A 47 12.710 -15.467 14.274 1.00 0.00 H new ATOM 0 HE2 LYS A 47 13.270 -14.970 16.560 1.00 0.00 H new ATOM 0 HE3 LYS A 47 12.092 -13.779 16.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 11.771 -14.911 18.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 10.413 -14.774 17.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 11.230 -16.258 17.418 1.00 0.00 H new ATOM 747 N GLU A 48 9.682 -11.460 11.962 1.00 0.00 N ATOM 748 CA GLU A 48 9.961 -10.076 11.596 1.00 0.00 C ATOM 749 C GLU A 48 11.310 -9.628 12.152 1.00 0.00 C ATOM 750 O GLU A 48 11.439 -8.524 12.679 1.00 0.00 O ATOM 751 CB GLU A 48 8.854 -9.155 12.111 1.00 0.00 C ATOM 752 CG GLU A 48 7.586 -9.200 11.274 1.00 0.00 C ATOM 753 CD GLU A 48 6.460 -8.382 11.876 1.00 0.00 C ATOM 754 OE1 GLU A 48 6.057 -8.681 13.020 1.00 0.00 O ATOM 755 OE2 GLU A 48 5.982 -7.445 11.204 1.00 0.00 O ATOM 0 H GLU A 48 9.532 -12.084 11.169 1.00 0.00 H new ATOM 0 HA GLU A 48 9.997 -10.015 10.508 1.00 0.00 H new ATOM 0 HB2 GLU A 48 8.612 -9.431 13.137 1.00 0.00 H new ATOM 0 HB3 GLU A 48 9.227 -8.131 12.136 1.00 0.00 H new ATOM 0 HG2 GLU A 48 7.803 -8.830 10.272 1.00 0.00 H new ATOM 0 HG3 GLU A 48 7.262 -10.235 11.168 1.00 0.00 H new ATOM 762 N GLU A 49 12.311 -10.495 12.029 1.00 0.00 N ATOM 763 CA GLU A 49 13.649 -10.189 12.521 1.00 0.00 C ATOM 764 C GLU A 49 14.102 -8.811 12.046 1.00 0.00 C ATOM 765 O GLU A 49 14.375 -7.923 12.853 1.00 0.00 O ATOM 766 CB GLU A 49 14.644 -11.253 12.054 1.00 0.00 C ATOM 767 CG GLU A 49 14.703 -12.471 12.961 1.00 0.00 C ATOM 768 CD GLU A 49 15.950 -13.304 12.740 1.00 0.00 C ATOM 769 OE1 GLU A 49 17.060 -12.794 13.001 1.00 0.00 O ATOM 770 OE2 GLU A 49 15.817 -14.467 12.304 1.00 0.00 O ATOM 0 H GLU A 49 12.221 -11.413 11.594 1.00 0.00 H new ATOM 0 HA GLU A 49 13.615 -10.186 13.610 1.00 0.00 H new ATOM 0 HB2 GLU A 49 14.375 -11.573 11.047 1.00 0.00 H new ATOM 0 HB3 GLU A 49 15.637 -10.808 11.993 1.00 0.00 H new ATOM 0 HG2 GLU A 49 14.667 -12.147 14.001 1.00 0.00 H new ATOM 0 HG3 GLU A 49 13.822 -13.090 12.789 1.00 0.00 H new ATOM 777 N SER A 50 14.179 -8.641 10.730 1.00 0.00 N ATOM 778 CA SER A 50 14.603 -7.374 10.146 1.00 0.00 C ATOM 779 C SER A 50 13.941 -7.153 8.789 1.00 0.00 C ATOM 780 O SER A 50 13.683 -8.104 8.050 1.00 0.00 O ATOM 781 CB SER A 50 16.125 -7.341 9.995 1.00 0.00 C ATOM 782 OG SER A 50 16.609 -6.009 10.002 1.00 0.00 O ATOM 0 H SER A 50 13.953 -9.365 10.048 1.00 0.00 H new ATOM 0 HA SER A 50 14.294 -6.572 10.817 1.00 0.00 H new ATOM 0 HB2 SER A 50 16.586 -7.903 10.807 1.00 0.00 H new ATOM 0 HB3 SER A 50 16.412 -7.831 9.065 1.00 0.00 H new ATOM 0 HG SER A 50 17.584 -6.015 9.906 1.00 0.00 H new ATOM 788 N ILE A 51 13.669 -5.893 8.469 1.00 0.00 N ATOM 789 CA ILE A 51 13.038 -5.546 7.201 1.00 0.00 C ATOM 790 C ILE A 51 14.011 -5.715 6.039 1.00 0.00 C ATOM 791 O ILE A 51 15.128 -5.197 6.070 1.00 0.00 O ATOM 792 CB ILE A 51 12.514 -4.098 7.210 1.00 0.00 C ATOM 793 CG1 ILE A 51 11.524 -3.899 8.360 1.00 0.00 C ATOM 794 CG2 ILE A 51 11.861 -3.763 5.878 1.00 0.00 C ATOM 795 CD1 ILE A 51 11.199 -2.447 8.633 1.00 0.00 C ATOM 0 H ILE A 51 13.875 -5.095 9.070 1.00 0.00 H new ATOM 0 HA ILE A 51 12.197 -6.227 7.070 1.00 0.00 H new ATOM 0 HB ILE A 51 13.356 -3.423 7.359 1.00 0.00 H new ATOM 0 HG12 ILE A 51 10.602 -4.433 8.131 1.00 0.00 H new ATOM 0 HG13 ILE A 51 11.935 -4.347 9.264 1.00 0.00 H new ATOM 0 HG21 ILE A 51 11.496 -2.736 5.900 1.00 0.00 H new ATOM 0 HG22 ILE A 51 12.592 -3.871 5.077 1.00 0.00 H new ATOM 0 HG23 ILE A 51 11.026 -4.441 5.701 1.00 0.00 H new ATOM 0 HD11 ILE A 51 10.492 -2.382 9.460 1.00 0.00 H new ATOM 0 HD12 ILE A 51 12.113 -1.912 8.893 1.00 0.00 H new ATOM 0 HD13 ILE A 51 10.758 -1.999 7.742 1.00 0.00 H new ATOM 807 N LEU A 52 13.579 -6.441 5.014 1.00 0.00 N ATOM 808 CA LEU A 52 14.411 -6.677 3.839 1.00 0.00 C ATOM 809 C LEU A 52 14.117 -5.652 2.748 1.00 0.00 C ATOM 810 O LEU A 52 15.030 -5.057 2.179 1.00 0.00 O ATOM 811 CB LEU A 52 14.180 -8.091 3.302 1.00 0.00 C ATOM 812 CG LEU A 52 14.529 -9.236 4.254 1.00 0.00 C ATOM 813 CD1 LEU A 52 13.830 -10.517 3.826 1.00 0.00 C ATOM 814 CD2 LEU A 52 16.035 -9.441 4.312 1.00 0.00 C ATOM 0 H LEU A 52 12.658 -6.876 4.973 1.00 0.00 H new ATOM 0 HA LEU A 52 15.454 -6.574 4.137 1.00 0.00 H new ATOM 0 HB2 LEU A 52 13.131 -8.185 3.022 1.00 0.00 H new ATOM 0 HB3 LEU A 52 14.765 -8.212 2.390 1.00 0.00 H new ATOM 0 HG LEU A 52 14.180 -8.972 5.253 1.00 0.00 H new ATOM 0 HD11 LEU A 52 14.090 -11.321 4.515 1.00 0.00 H new ATOM 0 HD12 LEU A 52 12.751 -10.364 3.838 1.00 0.00 H new ATOM 0 HD13 LEU A 52 14.148 -10.786 2.818 1.00 0.00 H new ATOM 0 HD21 LEU A 52 16.265 -10.260 4.994 1.00 0.00 H new ATOM 0 HD22 LEU A 52 16.408 -9.683 3.317 1.00 0.00 H new ATOM 0 HD23 LEU A 52 16.513 -8.528 4.667 1.00 0.00 H new ATOM 826 N GLY A 53 12.833 -5.451 2.464 1.00 0.00 N ATOM 827 CA GLY A 53 12.441 -4.496 1.444 1.00 0.00 C ATOM 828 C GLY A 53 11.063 -3.916 1.692 1.00 0.00 C ATOM 829 O GLY A 53 10.163 -4.615 2.158 1.00 0.00 O ATOM 0 H GLY A 53 12.059 -5.932 2.922 1.00 0.00 H new ATOM 0 HA2 GLY A 53 13.171 -3.687 1.408 1.00 0.00 H new ATOM 0 HA3 GLY A 53 12.457 -4.983 0.469 1.00 0.00 H new ATOM 833 N SER A 54 10.896 -2.635 1.380 1.00 0.00 N ATOM 834 CA SER A 54 9.618 -1.960 1.577 1.00 0.00 C ATOM 835 C SER A 54 8.966 -1.632 0.237 1.00 0.00 C ATOM 836 O SER A 54 9.651 -1.398 -0.759 1.00 0.00 O ATOM 837 CB SER A 54 9.814 -0.679 2.389 1.00 0.00 C ATOM 838 OG SER A 54 8.612 0.067 2.463 1.00 0.00 O ATOM 0 H SER A 54 11.630 -2.043 0.990 1.00 0.00 H new ATOM 0 HA SER A 54 8.960 -2.633 2.127 1.00 0.00 H new ATOM 0 HB2 SER A 54 10.152 -0.930 3.394 1.00 0.00 H new ATOM 0 HB3 SER A 54 10.595 -0.071 1.932 1.00 0.00 H new ATOM 0 HG SER A 54 8.393 0.243 3.402 1.00 0.00 H new ATOM 844 N ILE A 55 7.637 -1.616 0.222 1.00 0.00 N ATOM 845 CA ILE A 55 6.891 -1.315 -0.994 1.00 0.00 C ATOM 846 C ILE A 55 5.997 -0.095 -0.802 1.00 0.00 C ATOM 847 O ILE A 55 4.982 -0.141 -0.107 1.00 0.00 O ATOM 848 CB ILE A 55 6.023 -2.510 -1.431 1.00 0.00 C ATOM 849 CG1 ILE A 55 6.888 -3.760 -1.603 1.00 0.00 C ATOM 850 CG2 ILE A 55 5.289 -2.185 -2.724 1.00 0.00 C ATOM 851 CD1 ILE A 55 6.123 -5.053 -1.423 1.00 0.00 C ATOM 0 H ILE A 55 7.055 -1.808 1.038 1.00 0.00 H new ATOM 0 HA ILE A 55 7.625 -1.106 -1.772 1.00 0.00 H new ATOM 0 HB ILE A 55 5.283 -2.707 -0.655 1.00 0.00 H new ATOM 0 HG12 ILE A 55 7.337 -3.748 -2.596 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.706 -3.728 -0.883 1.00 0.00 H new ATOM 0 HG21 ILE A 55 4.680 -3.039 -3.021 1.00 0.00 H new ATOM 0 HG22 ILE A 55 4.648 -1.317 -2.570 1.00 0.00 H new ATOM 0 HG23 ILE A 55 6.013 -1.966 -3.508 1.00 0.00 H new ATOM 0 HD11 ILE A 55 6.799 -5.897 -1.559 1.00 0.00 H new ATOM 0 HD12 ILE A 55 5.697 -5.087 -0.420 1.00 0.00 H new ATOM 0 HD13 ILE A 55 5.322 -5.107 -2.160 1.00 0.00 H new ATOM 863 N PRO A 56 6.380 1.024 -1.435 1.00 0.00 N ATOM 864 CA PRO A 56 5.625 2.278 -1.352 1.00 0.00 C ATOM 865 C PRO A 56 4.291 2.202 -2.087 1.00 0.00 C ATOM 866 O PRO A 56 4.236 2.333 -3.310 1.00 0.00 O ATOM 867 CB PRO A 56 6.550 3.294 -2.027 1.00 0.00 C ATOM 868 CG PRO A 56 7.392 2.484 -2.952 1.00 0.00 C ATOM 869 CD PRO A 56 7.578 1.151 -2.281 1.00 0.00 C ATOM 0 HA PRO A 56 5.368 2.532 -0.323 1.00 0.00 H new ATOM 0 HB2 PRO A 56 5.980 4.049 -2.569 1.00 0.00 H new ATOM 0 HB3 PRO A 56 7.161 3.821 -1.294 1.00 0.00 H new ATOM 0 HG2 PRO A 56 6.907 2.369 -3.921 1.00 0.00 H new ATOM 0 HG3 PRO A 56 8.352 2.968 -3.131 1.00 0.00 H new ATOM 0 HD2 PRO A 56 7.644 0.341 -3.008 1.00 0.00 H new ATOM 0 HD3 PRO A 56 8.493 1.124 -1.689 1.00 0.00 H new ATOM 877 N LEU A 57 3.218 1.989 -1.334 1.00 0.00 N ATOM 878 CA LEU A 57 1.882 1.896 -1.914 1.00 0.00 C ATOM 879 C LEU A 57 1.289 3.283 -2.141 1.00 0.00 C ATOM 880 O LEU A 57 0.165 3.566 -1.724 1.00 0.00 O ATOM 881 CB LEU A 57 0.965 1.080 -1.002 1.00 0.00 C ATOM 882 CG LEU A 57 1.130 -0.438 -1.068 1.00 0.00 C ATOM 883 CD1 LEU A 57 0.354 -1.110 0.054 1.00 0.00 C ATOM 884 CD2 LEU A 57 0.676 -0.965 -2.422 1.00 0.00 C ATOM 0 H LEU A 57 3.246 1.877 -0.321 1.00 0.00 H new ATOM 0 HA LEU A 57 1.965 1.395 -2.878 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.132 1.399 0.027 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.069 1.324 -1.248 1.00 0.00 H new ATOM 0 HG LEU A 57 2.187 -0.674 -0.943 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.484 -2.190 -0.010 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.725 -0.756 1.016 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.704 -0.866 -0.038 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.800 -2.047 -2.451 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.374 -0.716 -2.576 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.276 -0.509 -3.210 1.00 0.00 H new ATOM 896 N LEU A 58 2.051 4.144 -2.807 1.00 0.00 N ATOM 897 CA LEU A 58 1.601 5.502 -3.093 1.00 0.00 C ATOM 898 C LEU A 58 1.175 5.639 -4.551 1.00 0.00 C ATOM 899 O LEU A 58 1.996 5.527 -5.461 1.00 0.00 O ATOM 900 CB LEU A 58 2.711 6.506 -2.777 1.00 0.00 C ATOM 901 CG LEU A 58 2.362 7.980 -2.986 1.00 0.00 C ATOM 902 CD1 LEU A 58 1.247 8.404 -2.043 1.00 0.00 C ATOM 903 CD2 LEU A 58 3.593 8.853 -2.786 1.00 0.00 C ATOM 0 H LEU A 58 2.983 3.926 -3.159 1.00 0.00 H new ATOM 0 HA LEU A 58 0.739 5.713 -2.461 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.013 6.368 -1.739 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.576 6.267 -3.395 1.00 0.00 H new ATOM 0 HG LEU A 58 2.012 8.109 -4.010 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.013 9.456 -2.206 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.360 7.800 -2.234 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.568 8.260 -1.011 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.326 9.899 -2.939 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.973 8.720 -1.773 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.363 8.567 -3.503 1.00 0.00 H new ATOM 915 N SER A 59 -0.114 5.884 -4.765 1.00 0.00 N ATOM 916 CA SER A 59 -0.649 6.035 -6.113 1.00 0.00 C ATOM 917 C SER A 59 -0.456 4.755 -6.921 1.00 0.00 C ATOM 918 O SER A 59 -0.139 4.799 -8.110 1.00 0.00 O ATOM 919 CB SER A 59 0.027 7.208 -6.825 1.00 0.00 C ATOM 920 OG SER A 59 -0.681 8.415 -6.604 1.00 0.00 O ATOM 0 H SER A 59 -0.807 5.982 -4.023 1.00 0.00 H new ATOM 0 HA SER A 59 -1.717 6.236 -6.032 1.00 0.00 H new ATOM 0 HB2 SER A 59 1.051 7.313 -6.468 1.00 0.00 H new ATOM 0 HB3 SER A 59 0.082 7.005 -7.895 1.00 0.00 H new ATOM 0 HG SER A 59 -0.228 9.150 -7.068 1.00 0.00 H new ATOM 926 N PHE A 60 -0.649 3.615 -6.266 1.00 0.00 N ATOM 927 CA PHE A 60 -0.495 2.321 -6.922 1.00 0.00 C ATOM 928 C PHE A 60 -1.851 1.754 -7.331 1.00 0.00 C ATOM 929 O PHE A 60 -2.881 2.100 -6.751 1.00 0.00 O ATOM 930 CB PHE A 60 0.223 1.338 -5.995 1.00 0.00 C ATOM 931 CG PHE A 60 1.717 1.352 -6.148 1.00 0.00 C ATOM 932 CD1 PHE A 60 2.454 2.465 -5.778 1.00 0.00 C ATOM 933 CD2 PHE A 60 2.384 0.251 -6.661 1.00 0.00 C ATOM 934 CE1 PHE A 60 3.829 2.481 -5.919 1.00 0.00 C ATOM 935 CE2 PHE A 60 3.759 0.261 -6.803 1.00 0.00 C ATOM 936 CZ PHE A 60 4.482 1.377 -6.431 1.00 0.00 C ATOM 0 H PHE A 60 -0.912 3.561 -5.282 1.00 0.00 H new ATOM 0 HA PHE A 60 0.104 2.466 -7.821 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -0.031 1.574 -4.962 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -0.145 0.331 -6.191 1.00 0.00 H new ATOM 0 HD1 PHE A 60 1.949 3.330 -5.375 1.00 0.00 H new ATOM 0 HD2 PHE A 60 1.823 -0.625 -6.953 1.00 0.00 H new ATOM 0 HE1 PHE A 60 4.392 3.356 -5.629 1.00 0.00 H new ATOM 0 HE2 PHE A 60 4.267 -0.603 -7.205 1.00 0.00 H new ATOM 0 HZ PHE A 60 5.556 1.387 -6.540 1.00 0.00 H new ATOM 946 N ARG A 61 -1.843 0.882 -8.333 1.00 0.00 N ATOM 947 CA ARG A 61 -3.072 0.268 -8.822 1.00 0.00 C ATOM 948 C ARG A 61 -3.145 -1.201 -8.415 1.00 0.00 C ATOM 949 O ARG A 61 -2.561 -2.067 -9.068 1.00 0.00 O ATOM 950 CB ARG A 61 -3.159 0.392 -10.344 1.00 0.00 C ATOM 951 CG ARG A 61 -4.560 0.176 -10.894 1.00 0.00 C ATOM 952 CD ARG A 61 -4.630 0.495 -12.379 1.00 0.00 C ATOM 953 NE ARG A 61 -5.941 0.185 -12.943 1.00 0.00 N ATOM 954 CZ ARG A 61 -7.008 0.962 -12.794 1.00 0.00 C ATOM 955 NH1 ARG A 61 -6.920 2.089 -12.101 1.00 0.00 N ATOM 956 NH2 ARG A 61 -8.167 0.612 -13.338 1.00 0.00 N ATOM 0 H ARG A 61 -0.999 0.584 -8.823 1.00 0.00 H new ATOM 0 HA ARG A 61 -3.915 0.794 -8.373 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.810 1.381 -10.640 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.484 -0.333 -10.798 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -4.862 -0.858 -10.728 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.266 0.805 -10.352 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -4.409 1.551 -12.534 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -3.864 -0.072 -12.908 1.00 0.00 H new ATOM 0 HE ARG A 61 -6.043 -0.676 -13.481 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -6.031 2.361 -11.681 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -7.741 2.684 -11.988 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -8.239 -0.255 -13.871 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -8.986 1.210 -13.223 1.00 0.00 H new ATOM 970 N VAL A 62 -3.865 -1.475 -7.332 1.00 0.00 N ATOM 971 CA VAL A 62 -4.014 -2.839 -6.838 1.00 0.00 C ATOM 972 C VAL A 62 -5.317 -3.461 -7.329 1.00 0.00 C ATOM 973 O VAL A 62 -6.377 -2.839 -7.263 1.00 0.00 O ATOM 974 CB VAL A 62 -3.984 -2.885 -5.299 1.00 0.00 C ATOM 975 CG1 VAL A 62 -4.045 -4.323 -4.807 1.00 0.00 C ATOM 976 CG2 VAL A 62 -2.742 -2.184 -4.770 1.00 0.00 C ATOM 0 H VAL A 62 -4.354 -0.771 -6.780 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.172 -3.411 -7.227 1.00 0.00 H new ATOM 0 HB VAL A 62 -4.860 -2.359 -4.919 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -4.023 -4.336 -3.717 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -4.967 -4.788 -5.157 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.189 -4.877 -5.194 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -2.737 -2.226 -3.681 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.852 -2.680 -5.157 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.746 -1.143 -5.093 1.00 0.00 H new ATOM 986 N ALA A 63 -5.230 -4.693 -7.820 1.00 0.00 N ATOM 987 CA ALA A 63 -6.402 -5.401 -8.319 1.00 0.00 C ATOM 988 C ALA A 63 -6.053 -6.832 -8.712 1.00 0.00 C ATOM 989 O ALA A 63 -4.881 -7.180 -8.849 1.00 0.00 O ATOM 990 CB ALA A 63 -7.003 -4.658 -9.504 1.00 0.00 C ATOM 0 H ALA A 63 -4.360 -5.221 -7.883 1.00 0.00 H new ATOM 0 HA ALA A 63 -7.140 -5.442 -7.517 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.878 -5.198 -9.867 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -7.298 -3.656 -9.193 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.264 -4.587 -10.302 1.00 0.00 H new ATOM 996 N ALA A 64 -7.078 -7.659 -8.891 1.00 0.00 N ATOM 997 CA ALA A 64 -6.879 -9.052 -9.269 1.00 0.00 C ATOM 998 C ALA A 64 -6.068 -9.161 -10.556 1.00 0.00 C ATOM 999 O ALA A 64 -6.225 -8.353 -11.471 1.00 0.00 O ATOM 1000 CB ALA A 64 -8.221 -9.753 -9.427 1.00 0.00 C ATOM 0 H ALA A 64 -8.055 -7.388 -8.780 1.00 0.00 H new ATOM 0 HA ALA A 64 -6.317 -9.542 -8.474 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -8.057 -10.793 -9.710 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.765 -9.715 -8.483 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -8.803 -9.254 -10.202 1.00 0.00 H new ATOM 1006 N VAL A 65 -5.200 -10.166 -10.619 1.00 0.00 N ATOM 1007 CA VAL A 65 -4.364 -10.381 -11.794 1.00 0.00 C ATOM 1008 C VAL A 65 -5.194 -10.861 -12.979 1.00 0.00 C ATOM 1009 O VAL A 65 -6.420 -10.932 -12.901 1.00 0.00 O ATOM 1010 CB VAL A 65 -3.251 -11.408 -11.511 1.00 0.00 C ATOM 1011 CG1 VAL A 65 -2.280 -10.870 -10.471 1.00 0.00 C ATOM 1012 CG2 VAL A 65 -3.851 -12.731 -11.060 1.00 0.00 C ATOM 0 H VAL A 65 -5.058 -10.844 -9.870 1.00 0.00 H new ATOM 0 HA VAL A 65 -3.909 -9.421 -12.038 1.00 0.00 H new ATOM 0 HB VAL A 65 -2.697 -11.582 -12.433 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -1.501 -11.609 -10.284 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -1.826 -9.950 -10.839 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.816 -10.665 -9.544 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -3.051 -13.445 -10.864 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -4.430 -12.576 -10.150 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -4.502 -13.121 -11.842 1.00 0.00 H new ATOM 1022 N GLN A 66 -4.517 -11.189 -14.074 1.00 0.00 N ATOM 1023 CA GLN A 66 -5.194 -11.663 -15.276 1.00 0.00 C ATOM 1024 C GLN A 66 -4.502 -12.900 -15.839 1.00 0.00 C ATOM 1025 O GLN A 66 -3.347 -13.191 -15.527 1.00 0.00 O ATOM 1026 CB GLN A 66 -5.231 -10.559 -16.335 1.00 0.00 C ATOM 1027 CG GLN A 66 -6.466 -9.677 -16.251 1.00 0.00 C ATOM 1028 CD GLN A 66 -6.301 -8.370 -17.001 1.00 0.00 C ATOM 1029 OE1 GLN A 66 -7.023 -8.096 -17.960 1.00 0.00 O ATOM 1030 NE2 GLN A 66 -5.349 -7.553 -16.566 1.00 0.00 N ATOM 0 H GLN A 66 -3.502 -11.136 -14.154 1.00 0.00 H new ATOM 0 HA GLN A 66 -6.215 -11.932 -15.005 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -4.342 -9.937 -16.230 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -5.186 -11.014 -17.324 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -7.322 -10.218 -16.655 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -6.687 -9.466 -15.205 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -4.773 -7.820 -15.767 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -5.193 -6.658 -17.030 1.00 0.00 H new ATOM 1039 N PRO A 67 -5.222 -13.647 -16.688 1.00 0.00 N ATOM 1040 CA PRO A 67 -4.697 -14.865 -17.312 1.00 0.00 C ATOM 1041 C PRO A 67 -3.611 -14.568 -18.341 1.00 0.00 C ATOM 1042 O PRO A 67 -3.101 -15.475 -18.999 1.00 0.00 O ATOM 1043 CB PRO A 67 -5.926 -15.473 -17.993 1.00 0.00 C ATOM 1044 CG PRO A 67 -6.832 -14.317 -18.243 1.00 0.00 C ATOM 1045 CD PRO A 67 -6.605 -13.360 -17.105 1.00 0.00 C ATOM 0 HA PRO A 67 -4.226 -15.525 -16.584 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -5.656 -15.973 -18.923 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -6.402 -16.219 -17.357 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -6.608 -13.846 -19.200 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -7.873 -14.638 -18.281 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -6.722 -12.324 -17.422 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -7.312 -13.527 -16.293 1.00 0.00 H new ATOM 1053 N SER A 68 -3.262 -13.293 -18.474 1.00 0.00 N ATOM 1054 CA SER A 68 -2.239 -12.876 -19.425 1.00 0.00 C ATOM 1055 C SER A 68 -0.936 -12.536 -18.708 1.00 0.00 C ATOM 1056 O SER A 68 0.123 -12.447 -19.329 1.00 0.00 O ATOM 1057 CB SER A 68 -2.722 -11.667 -20.229 1.00 0.00 C ATOM 1058 OG SER A 68 -3.606 -12.062 -21.263 1.00 0.00 O ATOM 0 H SER A 68 -3.673 -12.531 -17.935 1.00 0.00 H new ATOM 0 HA SER A 68 -2.052 -13.706 -20.107 1.00 0.00 H new ATOM 0 HB2 SER A 68 -3.225 -10.963 -19.566 1.00 0.00 H new ATOM 0 HB3 SER A 68 -1.866 -11.146 -20.658 1.00 0.00 H new ATOM 0 HG SER A 68 -3.901 -11.271 -21.761 1.00 0.00 H new ATOM 1144 N LYS A 74 -4.767 -18.710 -8.405 1.00 0.00 N ATOM 1145 CA LYS A 74 -5.996 -18.187 -7.820 1.00 0.00 C ATOM 1146 C LYS A 74 -5.690 -17.279 -6.633 1.00 0.00 C ATOM 1147 O LYS A 74 -4.614 -17.358 -6.039 1.00 0.00 O ATOM 1148 CB LYS A 74 -6.903 -19.336 -7.376 1.00 0.00 C ATOM 1149 CG LYS A 74 -7.551 -20.081 -8.530 1.00 0.00 C ATOM 1150 CD LYS A 74 -8.863 -19.436 -8.944 1.00 0.00 C ATOM 1151 CE LYS A 74 -9.809 -20.450 -9.570 1.00 0.00 C ATOM 1152 NZ LYS A 74 -9.276 -20.988 -10.852 1.00 0.00 N ATOM 0 HA LYS A 74 -6.510 -17.600 -8.581 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -6.319 -20.040 -6.782 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -7.684 -18.941 -6.726 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.870 -20.100 -9.380 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -7.729 -21.117 -8.241 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -9.338 -18.983 -8.074 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -8.667 -18.633 -9.654 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -9.975 -21.271 -8.872 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -10.777 -19.982 -9.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -9.957 -21.663 -11.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -9.126 -20.206 -11.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -8.372 -21.472 -10.676 1.00 0.00 H new ATOM 1166 N HIS A 75 -6.643 -16.417 -6.292 1.00 0.00 N ATOM 1167 CA HIS A 75 -6.475 -15.495 -5.175 1.00 0.00 C ATOM 1168 C HIS A 75 -5.164 -14.725 -5.297 1.00 0.00 C ATOM 1169 O HIS A 75 -4.406 -14.611 -4.333 1.00 0.00 O ATOM 1170 CB HIS A 75 -6.512 -16.255 -3.849 1.00 0.00 C ATOM 1171 CG HIS A 75 -7.391 -17.468 -3.878 1.00 0.00 C ATOM 1172 ND1 HIS A 75 -8.601 -17.505 -4.538 1.00 0.00 N ATOM 1173 CD2 HIS A 75 -7.228 -18.693 -3.325 1.00 0.00 C ATOM 1174 CE1 HIS A 75 -9.145 -18.699 -4.388 1.00 0.00 C ATOM 1175 NE2 HIS A 75 -8.332 -19.439 -3.656 1.00 0.00 N ATOM 0 H HIS A 75 -7.539 -16.338 -6.773 1.00 0.00 H new ATOM 0 HA HIS A 75 -7.298 -14.781 -5.199 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -5.499 -16.557 -3.584 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -6.860 -15.583 -3.064 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -6.386 -19.022 -2.734 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -10.094 -19.016 -4.795 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -8.497 -20.407 -3.381 1.00 0.00 H new ATOM 1184 N THR A 76 -4.901 -14.198 -6.489 1.00 0.00 N ATOM 1185 CA THR A 76 -3.681 -13.442 -6.738 1.00 0.00 C ATOM 1186 C THR A 76 -3.996 -12.056 -7.289 1.00 0.00 C ATOM 1187 O THR A 76 -4.893 -11.895 -8.117 1.00 0.00 O ATOM 1188 CB THR A 76 -2.756 -14.176 -7.727 1.00 0.00 C ATOM 1189 OG1 THR A 76 -2.566 -15.532 -7.305 1.00 0.00 O ATOM 1190 CG2 THR A 76 -1.408 -13.478 -7.828 1.00 0.00 C ATOM 0 H THR A 76 -5.518 -14.281 -7.297 1.00 0.00 H new ATOM 0 HA THR A 76 -3.171 -13.343 -5.780 1.00 0.00 H new ATOM 0 HB THR A 76 -3.228 -14.164 -8.709 1.00 0.00 H new ATOM 0 HG1 THR A 76 -1.978 -15.993 -7.940 1.00 0.00 H new ATOM 0 HG21 THR A 76 -0.772 -14.015 -8.532 1.00 0.00 H new ATOM 0 HG22 THR A 76 -1.553 -12.455 -8.177 1.00 0.00 H new ATOM 0 HG23 THR A 76 -0.932 -13.463 -6.848 1.00 0.00 H new ATOM 1198 N PHE A 77 -3.253 -11.057 -6.825 1.00 0.00 N ATOM 1199 CA PHE A 77 -3.454 -9.683 -7.272 1.00 0.00 C ATOM 1200 C PHE A 77 -2.121 -9.019 -7.605 1.00 0.00 C ATOM 1201 O PHE A 77 -1.081 -9.375 -7.052 1.00 0.00 O ATOM 1202 CB PHE A 77 -4.183 -8.876 -6.196 1.00 0.00 C ATOM 1203 CG PHE A 77 -3.588 -9.029 -4.825 1.00 0.00 C ATOM 1204 CD1 PHE A 77 -4.011 -10.043 -3.981 1.00 0.00 C ATOM 1205 CD2 PHE A 77 -2.607 -8.158 -4.381 1.00 0.00 C ATOM 1206 CE1 PHE A 77 -3.466 -10.187 -2.720 1.00 0.00 C ATOM 1207 CE2 PHE A 77 -2.057 -8.297 -3.120 1.00 0.00 C ATOM 1208 CZ PHE A 77 -2.488 -9.312 -2.288 1.00 0.00 C ATOM 0 H PHE A 77 -2.506 -11.173 -6.140 1.00 0.00 H new ATOM 0 HA PHE A 77 -4.064 -9.707 -8.175 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -4.171 -7.822 -6.473 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -5.228 -9.186 -6.166 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -4.776 -10.729 -4.313 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -2.268 -7.362 -5.027 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -3.804 -10.983 -2.073 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -1.291 -7.613 -2.786 1.00 0.00 H new ATOM 0 HZ PHE A 77 -2.061 -9.421 -1.302 1.00 0.00 H new ATOM 1218 N LYS A 78 -2.160 -8.052 -8.515 1.00 0.00 N ATOM 1219 CA LYS A 78 -0.957 -7.336 -8.924 1.00 0.00 C ATOM 1220 C LYS A 78 -0.987 -5.894 -8.428 1.00 0.00 C ATOM 1221 O LYS A 78 -2.056 -5.306 -8.266 1.00 0.00 O ATOM 1222 CB LYS A 78 -0.818 -7.359 -10.448 1.00 0.00 C ATOM 1223 CG LYS A 78 -2.025 -6.794 -11.178 1.00 0.00 C ATOM 1224 CD LYS A 78 -1.726 -6.556 -12.648 1.00 0.00 C ATOM 1225 CE LYS A 78 -2.866 -5.822 -13.337 1.00 0.00 C ATOM 1226 NZ LYS A 78 -2.700 -5.804 -14.817 1.00 0.00 N ATOM 0 H LYS A 78 -3.012 -7.746 -8.984 1.00 0.00 H new ATOM 0 HA LYS A 78 -0.097 -7.837 -8.479 1.00 0.00 H new ATOM 0 HB2 LYS A 78 0.067 -6.790 -10.732 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -0.655 -8.386 -10.774 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -2.864 -7.483 -11.083 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.328 -5.857 -10.711 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -0.808 -5.977 -12.744 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -1.554 -7.511 -13.145 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -3.812 -6.301 -13.083 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -2.917 -4.799 -12.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -3.497 -5.295 -15.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -1.810 -5.325 -15.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -2.677 -6.780 -15.176 1.00 0.00 H new ATOM 1240 N ALA A 79 0.192 -5.330 -8.190 1.00 0.00 N ATOM 1241 CA ALA A 79 0.301 -3.956 -7.716 1.00 0.00 C ATOM 1242 C ALA A 79 1.365 -3.189 -8.494 1.00 0.00 C ATOM 1243 O ALA A 79 2.561 -3.372 -8.271 1.00 0.00 O ATOM 1244 CB ALA A 79 0.614 -3.934 -6.227 1.00 0.00 C ATOM 0 H ALA A 79 1.086 -5.804 -8.318 1.00 0.00 H new ATOM 0 HA ALA A 79 -0.657 -3.464 -7.882 1.00 0.00 H new ATOM 0 HB1 ALA A 79 0.693 -2.901 -5.887 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -0.184 -4.436 -5.680 1.00 0.00 H new ATOM 0 HB3 ALA A 79 1.558 -4.448 -6.046 1.00 0.00 H new ATOM 1250 N GLU A 80 0.921 -2.331 -9.407 1.00 0.00 N ATOM 1251 CA GLU A 80 1.837 -1.538 -10.218 1.00 0.00 C ATOM 1252 C GLU A 80 1.318 -0.113 -10.389 1.00 0.00 C ATOM 1253 O GLU A 80 0.164 0.099 -10.764 1.00 0.00 O ATOM 1254 CB GLU A 80 2.032 -2.189 -11.589 1.00 0.00 C ATOM 1255 CG GLU A 80 0.878 -1.947 -12.548 1.00 0.00 C ATOM 1256 CD GLU A 80 0.710 -3.071 -13.552 1.00 0.00 C ATOM 1257 OE1 GLU A 80 1.504 -3.133 -14.513 1.00 0.00 O ATOM 1258 OE2 GLU A 80 -0.218 -3.889 -13.376 1.00 0.00 O ATOM 0 H GLU A 80 -0.066 -2.167 -9.603 1.00 0.00 H new ATOM 0 HA GLU A 80 2.797 -1.497 -9.703 1.00 0.00 H new ATOM 0 HB2 GLU A 80 2.950 -1.808 -12.035 1.00 0.00 H new ATOM 0 HB3 GLU A 80 2.164 -3.263 -11.456 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -0.045 -1.832 -11.979 1.00 0.00 H new ATOM 0 HG3 GLU A 80 1.043 -1.010 -13.081 1.00 0.00 H new ATOM 1265 N HIS A 81 2.179 0.861 -10.110 1.00 0.00 N ATOM 1266 CA HIS A 81 1.808 2.267 -10.233 1.00 0.00 C ATOM 1267 C HIS A 81 1.542 2.634 -11.689 1.00 0.00 C ATOM 1268 O HIS A 81 0.393 2.793 -12.099 1.00 0.00 O ATOM 1269 CB HIS A 81 2.912 3.158 -9.664 1.00 0.00 C ATOM 1270 CG HIS A 81 2.963 4.520 -10.285 1.00 0.00 C ATOM 1271 ND1 HIS A 81 4.137 5.218 -10.473 1.00 0.00 N ATOM 1272 CD2 HIS A 81 1.975 5.311 -10.764 1.00 0.00 C ATOM 1273 CE1 HIS A 81 3.869 6.381 -11.040 1.00 0.00 C ATOM 1274 NE2 HIS A 81 2.564 6.462 -11.227 1.00 0.00 N ATOM 0 H HIS A 81 3.137 0.703 -9.798 1.00 0.00 H new ATOM 0 HA HIS A 81 0.892 2.427 -9.664 1.00 0.00 H new ATOM 0 HB2 HIS A 81 2.765 3.263 -8.589 1.00 0.00 H new ATOM 0 HB3 HIS A 81 3.874 2.666 -9.807 1.00 0.00 H new ATOM 0 HD2 HIS A 81 0.920 5.080 -10.779 1.00 0.00 H new ATOM 0 HE1 HIS A 81 4.594 7.137 -11.305 1.00 0.00 H new ATOM 0 HE2 HIS A 81 2.073 7.251 -11.647 1.00 0.00 H new ATOM 1316 N ARG A 85 7.289 -1.042 -11.256 1.00 0.00 N ATOM 1317 CA ARG A 85 7.366 -2.461 -10.933 1.00 0.00 C ATOM 1318 C ARG A 85 5.991 -3.010 -10.562 1.00 0.00 C ATOM 1319 O ARG A 85 5.170 -2.310 -9.969 1.00 0.00 O ATOM 1320 CB ARG A 85 8.347 -2.691 -9.781 1.00 0.00 C ATOM 1321 CG ARG A 85 8.887 -4.110 -9.715 1.00 0.00 C ATOM 1322 CD ARG A 85 10.266 -4.152 -9.076 1.00 0.00 C ATOM 1323 NE ARG A 85 10.192 -4.215 -7.619 1.00 0.00 N ATOM 1324 CZ ARG A 85 11.158 -4.713 -6.855 1.00 0.00 C ATOM 1325 NH1 ARG A 85 12.265 -5.189 -7.406 1.00 0.00 N ATOM 1326 NH2 ARG A 85 11.017 -4.735 -5.535 1.00 0.00 N ATOM 0 HA ARG A 85 7.723 -2.990 -11.817 1.00 0.00 H new ATOM 0 HB2 ARG A 85 9.182 -1.998 -9.882 1.00 0.00 H new ATOM 0 HB3 ARG A 85 7.850 -2.456 -8.840 1.00 0.00 H new ATOM 0 HG2 ARG A 85 8.201 -4.735 -9.144 1.00 0.00 H new ATOM 0 HG3 ARG A 85 8.938 -4.528 -10.720 1.00 0.00 H new ATOM 0 HD2 ARG A 85 10.812 -5.018 -9.449 1.00 0.00 H new ATOM 0 HD3 ARG A 85 10.830 -3.268 -9.372 1.00 0.00 H new ATOM 0 HE ARG A 85 9.353 -3.857 -7.163 1.00 0.00 H new ATOM 0 HH11 ARG A 85 12.377 -5.174 -8.420 1.00 0.00 H new ATOM 0 HH12 ARG A 85 13.005 -5.571 -6.816 1.00 0.00 H new ATOM 0 HH21 ARG A 85 10.166 -4.369 -5.107 1.00 0.00 H new ATOM 0 HH22 ARG A 85 11.759 -5.118 -4.949 1.00 0.00 H new ATOM 1340 N THR A 86 5.747 -4.268 -10.915 1.00 0.00 N ATOM 1341 CA THR A 86 4.472 -4.910 -10.622 1.00 0.00 C ATOM 1342 C THR A 86 4.626 -5.965 -9.532 1.00 0.00 C ATOM 1343 O THR A 86 5.113 -7.067 -9.785 1.00 0.00 O ATOM 1344 CB THR A 86 3.873 -5.570 -11.878 1.00 0.00 C ATOM 1345 OG1 THR A 86 3.851 -4.634 -12.960 1.00 0.00 O ATOM 1346 CG2 THR A 86 2.462 -6.071 -11.605 1.00 0.00 C ATOM 0 H THR A 86 6.416 -4.863 -11.404 1.00 0.00 H new ATOM 0 HA THR A 86 3.797 -4.128 -10.275 1.00 0.00 H new ATOM 0 HB THR A 86 4.498 -6.421 -12.148 1.00 0.00 H new ATOM 0 HG1 THR A 86 3.470 -5.062 -13.755 1.00 0.00 H new ATOM 0 HG21 THR A 86 2.059 -6.533 -12.506 1.00 0.00 H new ATOM 0 HG22 THR A 86 2.486 -6.806 -10.800 1.00 0.00 H new ATOM 0 HG23 THR A 86 1.829 -5.233 -11.313 1.00 0.00 H new ATOM 1354 N TYR A 87 4.208 -5.620 -8.319 1.00 0.00 N ATOM 1355 CA TYR A 87 4.301 -6.538 -7.189 1.00 0.00 C ATOM 1356 C TYR A 87 3.111 -7.492 -7.163 1.00 0.00 C ATOM 1357 O TYR A 87 1.961 -7.068 -7.046 1.00 0.00 O ATOM 1358 CB TYR A 87 4.371 -5.757 -5.876 1.00 0.00 C ATOM 1359 CG TYR A 87 5.598 -4.880 -5.757 1.00 0.00 C ATOM 1360 CD1 TYR A 87 5.705 -3.701 -6.484 1.00 0.00 C ATOM 1361 CD2 TYR A 87 6.649 -5.232 -4.920 1.00 0.00 C ATOM 1362 CE1 TYR A 87 6.824 -2.897 -6.380 1.00 0.00 C ATOM 1363 CE2 TYR A 87 7.771 -4.433 -4.808 1.00 0.00 C ATOM 1364 CZ TYR A 87 7.854 -3.267 -5.540 1.00 0.00 C ATOM 1365 OH TYR A 87 8.970 -2.470 -5.433 1.00 0.00 O ATOM 0 H TYR A 87 3.802 -4.712 -8.093 1.00 0.00 H new ATOM 0 HA TYR A 87 5.212 -7.125 -7.304 1.00 0.00 H new ATOM 0 HB2 TYR A 87 3.480 -5.135 -5.785 1.00 0.00 H new ATOM 0 HB3 TYR A 87 4.355 -6.460 -5.043 1.00 0.00 H new ATOM 0 HD1 TYR A 87 4.900 -3.408 -7.142 1.00 0.00 H new ATOM 0 HD2 TYR A 87 6.588 -6.145 -4.347 1.00 0.00 H new ATOM 0 HE1 TYR A 87 6.892 -1.984 -6.953 1.00 0.00 H new ATOM 0 HE2 TYR A 87 8.579 -4.720 -4.151 1.00 0.00 H new ATOM 0 HH TYR A 87 9.353 -2.562 -4.536 1.00 0.00 H new ATOM 1375 N PHE A 88 3.396 -8.786 -7.272 1.00 0.00 N ATOM 1376 CA PHE A 88 2.351 -9.803 -7.261 1.00 0.00 C ATOM 1377 C PHE A 88 2.287 -10.502 -5.907 1.00 0.00 C ATOM 1378 O PHE A 88 3.314 -10.760 -5.279 1.00 0.00 O ATOM 1379 CB PHE A 88 2.599 -10.830 -8.367 1.00 0.00 C ATOM 1380 CG PHE A 88 2.564 -10.244 -9.749 1.00 0.00 C ATOM 1381 CD1 PHE A 88 1.371 -10.155 -10.449 1.00 0.00 C ATOM 1382 CD2 PHE A 88 3.724 -9.781 -10.349 1.00 0.00 C ATOM 1383 CE1 PHE A 88 1.335 -9.616 -11.721 1.00 0.00 C ATOM 1384 CE2 PHE A 88 3.694 -9.239 -11.621 1.00 0.00 C ATOM 1385 CZ PHE A 88 2.498 -9.158 -12.308 1.00 0.00 C ATOM 0 H PHE A 88 4.342 -9.155 -7.369 1.00 0.00 H new ATOM 0 HA PHE A 88 1.396 -9.309 -7.440 1.00 0.00 H new ATOM 0 HB2 PHE A 88 3.569 -11.299 -8.205 1.00 0.00 H new ATOM 0 HB3 PHE A 88 1.848 -11.617 -8.296 1.00 0.00 H new ATOM 0 HD1 PHE A 88 0.458 -10.511 -9.995 1.00 0.00 H new ATOM 0 HD2 PHE A 88 4.662 -9.844 -9.817 1.00 0.00 H new ATOM 0 HE1 PHE A 88 0.399 -9.553 -12.255 1.00 0.00 H new ATOM 0 HE2 PHE A 88 4.605 -8.879 -12.077 1.00 0.00 H new ATOM 0 HZ PHE A 88 2.473 -8.737 -13.302 1.00 0.00 H new ATOM 1395 N PHE A 89 1.072 -10.806 -5.462 1.00 0.00 N ATOM 1396 CA PHE A 89 0.873 -11.475 -4.181 1.00 0.00 C ATOM 1397 C PHE A 89 -0.234 -12.521 -4.280 1.00 0.00 C ATOM 1398 O PHE A 89 -1.354 -12.218 -4.693 1.00 0.00 O ATOM 1399 CB PHE A 89 0.528 -10.452 -3.096 1.00 0.00 C ATOM 1400 CG PHE A 89 1.454 -9.271 -3.070 1.00 0.00 C ATOM 1401 CD1 PHE A 89 2.690 -9.357 -2.449 1.00 0.00 C ATOM 1402 CD2 PHE A 89 1.090 -8.074 -3.666 1.00 0.00 C ATOM 1403 CE1 PHE A 89 3.545 -8.271 -2.423 1.00 0.00 C ATOM 1404 CE2 PHE A 89 1.940 -6.985 -3.643 1.00 0.00 C ATOM 1405 CZ PHE A 89 3.170 -7.084 -3.022 1.00 0.00 C ATOM 0 H PHE A 89 0.211 -10.600 -5.969 1.00 0.00 H new ATOM 0 HA PHE A 89 1.802 -11.979 -3.914 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -0.492 -10.100 -3.251 1.00 0.00 H new ATOM 0 HB3 PHE A 89 0.552 -10.944 -2.123 1.00 0.00 H new ATOM 0 HD1 PHE A 89 2.989 -10.283 -1.980 1.00 0.00 H new ATOM 0 HD2 PHE A 89 0.130 -7.991 -4.154 1.00 0.00 H new ATOM 0 HE1 PHE A 89 4.505 -8.350 -1.935 1.00 0.00 H new ATOM 0 HE2 PHE A 89 1.643 -6.057 -4.110 1.00 0.00 H new ATOM 0 HZ PHE A 89 3.837 -6.235 -3.005 1.00 0.00 H new ATOM 1415 N SER A 90 0.088 -13.753 -3.899 1.00 0.00 N ATOM 1416 CA SER A 90 -0.876 -14.845 -3.949 1.00 0.00 C ATOM 1417 C SER A 90 -1.345 -15.220 -2.546 1.00 0.00 C ATOM 1418 O SER A 90 -0.571 -15.727 -1.736 1.00 0.00 O ATOM 1419 CB SER A 90 -0.261 -16.066 -4.636 1.00 0.00 C ATOM 1420 OG SER A 90 -1.022 -17.233 -4.379 1.00 0.00 O ATOM 0 H SER A 90 1.009 -14.020 -3.552 1.00 0.00 H new ATOM 0 HA SER A 90 -1.738 -14.509 -4.525 1.00 0.00 H new ATOM 0 HB2 SER A 90 -0.206 -15.893 -5.711 1.00 0.00 H new ATOM 0 HB3 SER A 90 0.760 -16.209 -4.284 1.00 0.00 H new ATOM 0 HG SER A 90 -0.609 -17.999 -4.830 1.00 0.00 H new ATOM 1426 N ALA A 91 -2.620 -14.965 -2.268 1.00 0.00 N ATOM 1427 CA ALA A 91 -3.194 -15.277 -0.965 1.00 0.00 C ATOM 1428 C ALA A 91 -3.624 -16.738 -0.890 1.00 0.00 C ATOM 1429 O ALA A 91 -4.270 -17.251 -1.802 1.00 0.00 O ATOM 1430 CB ALA A 91 -4.375 -14.362 -0.676 1.00 0.00 C ATOM 0 H ALA A 91 -3.274 -14.544 -2.927 1.00 0.00 H new ATOM 0 HA ALA A 91 -2.427 -15.112 -0.209 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -4.794 -14.606 0.300 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -4.041 -13.325 -0.678 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -5.138 -14.499 -1.443 1.00 0.00 H new ATOM 1436 N GLU A 92 -3.260 -17.402 0.203 1.00 0.00 N ATOM 1437 CA GLU A 92 -3.608 -18.805 0.395 1.00 0.00 C ATOM 1438 C GLU A 92 -5.092 -19.039 0.125 1.00 0.00 C ATOM 1439 O GLU A 92 -5.466 -19.991 -0.560 1.00 0.00 O ATOM 1440 CB GLU A 92 -3.261 -19.249 1.818 1.00 0.00 C ATOM 1441 CG GLU A 92 -1.800 -19.042 2.181 1.00 0.00 C ATOM 1442 CD GLU A 92 -1.356 -19.917 3.336 1.00 0.00 C ATOM 1443 OE1 GLU A 92 -1.899 -21.032 3.480 1.00 0.00 O ATOM 1444 OE2 GLU A 92 -0.464 -19.486 4.097 1.00 0.00 O ATOM 0 H GLU A 92 -2.725 -16.991 0.968 1.00 0.00 H new ATOM 0 HA GLU A 92 -3.029 -19.397 -0.314 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -3.883 -18.698 2.523 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -3.509 -20.304 1.931 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -1.180 -19.254 1.310 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -1.639 -17.996 2.440 1.00 0.00 H new ATOM 1451 N SER A 93 -5.932 -18.165 0.670 1.00 0.00 N ATOM 1452 CA SER A 93 -7.375 -18.279 0.492 1.00 0.00 C ATOM 1453 C SER A 93 -7.918 -17.100 -0.309 1.00 0.00 C ATOM 1454 O SER A 93 -7.286 -16.049 -0.422 1.00 0.00 O ATOM 1455 CB SER A 93 -8.073 -18.352 1.851 1.00 0.00 C ATOM 1456 OG SER A 93 -8.198 -19.694 2.289 1.00 0.00 O ATOM 0 H SER A 93 -5.638 -17.370 1.238 1.00 0.00 H new ATOM 0 HA SER A 93 -7.577 -19.196 -0.062 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.508 -17.778 2.585 1.00 0.00 H new ATOM 0 HB3 SER A 93 -9.060 -17.896 1.781 1.00 0.00 H new ATOM 0 HG SER A 93 -8.646 -19.713 3.161 1.00 0.00 H new ATOM 1462 N PRO A 94 -9.119 -17.276 -0.879 1.00 0.00 N ATOM 1463 CA PRO A 94 -9.775 -16.238 -1.679 1.00 0.00 C ATOM 1464 C PRO A 94 -10.243 -15.060 -0.831 1.00 0.00 C ATOM 1465 O PRO A 94 -10.299 -13.926 -1.305 1.00 0.00 O ATOM 1466 CB PRO A 94 -10.975 -16.966 -2.290 1.00 0.00 C ATOM 1467 CG PRO A 94 -11.260 -18.084 -1.347 1.00 0.00 C ATOM 1468 CD PRO A 94 -9.929 -18.502 -0.786 1.00 0.00 C ATOM 0 HA PRO A 94 -9.099 -15.806 -2.417 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -11.834 -16.302 -2.387 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -10.746 -17.339 -3.288 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -11.934 -17.763 -0.553 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -11.745 -18.914 -1.861 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -10.018 -18.848 0.244 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -9.490 -19.318 -1.359 1.00 0.00 H new ATOM 1476 N GLU A 95 -10.575 -15.338 0.426 1.00 0.00 N ATOM 1477 CA GLU A 95 -11.038 -14.300 1.340 1.00 0.00 C ATOM 1478 C GLU A 95 -9.952 -13.252 1.568 1.00 0.00 C ATOM 1479 O GLU A 95 -10.235 -12.057 1.644 1.00 0.00 O ATOM 1480 CB GLU A 95 -11.456 -14.915 2.677 1.00 0.00 C ATOM 1481 CG GLU A 95 -10.321 -15.613 3.407 1.00 0.00 C ATOM 1482 CD GLU A 95 -10.814 -16.549 4.494 1.00 0.00 C ATOM 1483 OE1 GLU A 95 -11.054 -17.736 4.190 1.00 0.00 O ATOM 1484 OE2 GLU A 95 -10.961 -16.093 5.647 1.00 0.00 O ATOM 0 H GLU A 95 -10.532 -16.272 0.834 1.00 0.00 H new ATOM 0 HA GLU A 95 -11.901 -13.812 0.887 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -11.861 -14.131 3.317 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -12.259 -15.631 2.503 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -9.725 -16.177 2.689 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -9.663 -14.864 3.848 1.00 0.00 H new ATOM 1491 N GLU A 96 -8.709 -13.710 1.676 1.00 0.00 N ATOM 1492 CA GLU A 96 -7.581 -12.813 1.896 1.00 0.00 C ATOM 1493 C GLU A 96 -7.324 -11.949 0.665 1.00 0.00 C ATOM 1494 O GLU A 96 -7.156 -10.735 0.771 1.00 0.00 O ATOM 1495 CB GLU A 96 -6.323 -13.614 2.242 1.00 0.00 C ATOM 1496 CG GLU A 96 -6.147 -13.857 3.732 1.00 0.00 C ATOM 1497 CD GLU A 96 -5.055 -14.864 4.033 1.00 0.00 C ATOM 1498 OE1 GLU A 96 -5.041 -15.936 3.392 1.00 0.00 O ATOM 1499 OE2 GLU A 96 -4.212 -14.580 4.910 1.00 0.00 O ATOM 0 H GLU A 96 -8.458 -14.697 1.615 1.00 0.00 H new ATOM 0 HA GLU A 96 -7.828 -12.159 2.732 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -6.361 -14.574 1.728 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -5.449 -13.084 1.863 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -5.912 -12.914 4.225 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -7.088 -14.211 4.152 1.00 0.00 H new ATOM 1506 N GLN A 97 -7.295 -12.585 -0.501 1.00 0.00 N ATOM 1507 CA GLN A 97 -7.057 -11.875 -1.752 1.00 0.00 C ATOM 1508 C GLN A 97 -7.888 -10.598 -1.820 1.00 0.00 C ATOM 1509 O GLN A 97 -7.344 -9.495 -1.852 1.00 0.00 O ATOM 1510 CB GLN A 97 -7.386 -12.775 -2.945 1.00 0.00 C ATOM 1511 CG GLN A 97 -7.295 -12.066 -4.286 1.00 0.00 C ATOM 1512 CD GLN A 97 -8.242 -12.645 -5.318 1.00 0.00 C ATOM 1513 OE1 GLN A 97 -9.207 -13.330 -4.977 1.00 0.00 O ATOM 1514 NE2 GLN A 97 -7.971 -12.373 -6.589 1.00 0.00 N ATOM 0 H GLN A 97 -7.433 -13.590 -0.606 1.00 0.00 H new ATOM 0 HA GLN A 97 -6.002 -11.603 -1.791 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -6.705 -13.626 -2.946 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -8.393 -13.174 -2.822 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -7.516 -11.008 -4.149 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -6.273 -12.132 -4.659 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -7.161 -11.801 -6.827 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -8.573 -12.736 -7.328 1.00 0.00 H new ATOM 1523 N GLU A 98 -9.208 -10.757 -1.841 1.00 0.00 N ATOM 1524 CA GLU A 98 -10.113 -9.615 -1.905 1.00 0.00 C ATOM 1525 C GLU A 98 -9.810 -8.617 -0.791 1.00 0.00 C ATOM 1526 O GLU A 98 -9.687 -7.417 -1.036 1.00 0.00 O ATOM 1527 CB GLU A 98 -11.566 -10.082 -1.805 1.00 0.00 C ATOM 1528 CG GLU A 98 -12.006 -10.958 -2.967 1.00 0.00 C ATOM 1529 CD GLU A 98 -12.003 -10.216 -4.289 1.00 0.00 C ATOM 1530 OE1 GLU A 98 -12.475 -9.060 -4.322 1.00 0.00 O ATOM 1531 OE2 GLU A 98 -11.531 -10.791 -5.292 1.00 0.00 O ATOM 0 H GLU A 98 -9.674 -11.664 -1.815 1.00 0.00 H new ATOM 0 HA GLU A 98 -9.963 -9.119 -2.864 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -11.698 -10.634 -0.875 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -12.217 -9.209 -1.753 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -11.344 -11.821 -3.037 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -13.008 -11.340 -2.771 1.00 0.00 H new ATOM 1538 N ALA A 99 -9.691 -9.122 0.432 1.00 0.00 N ATOM 1539 CA ALA A 99 -9.402 -8.277 1.583 1.00 0.00 C ATOM 1540 C ALA A 99 -8.214 -7.361 1.307 1.00 0.00 C ATOM 1541 O ALA A 99 -8.281 -6.154 1.539 1.00 0.00 O ATOM 1542 CB ALA A 99 -9.137 -9.132 2.813 1.00 0.00 C ATOM 0 H ALA A 99 -9.790 -10.113 0.651 1.00 0.00 H new ATOM 0 HA ALA A 99 -10.274 -7.651 1.771 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -8.923 -8.487 3.665 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -10.016 -9.740 3.030 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -8.283 -9.783 2.627 1.00 0.00 H new ATOM 1548 N TRP A 100 -7.128 -7.943 0.811 1.00 0.00 N ATOM 1549 CA TRP A 100 -5.924 -7.179 0.504 1.00 0.00 C ATOM 1550 C TRP A 100 -6.204 -6.129 -0.565 1.00 0.00 C ATOM 1551 O TRP A 100 -6.004 -4.934 -0.342 1.00 0.00 O ATOM 1552 CB TRP A 100 -4.807 -8.113 0.039 1.00 0.00 C ATOM 1553 CG TRP A 100 -4.065 -8.762 1.168 1.00 0.00 C ATOM 1554 CD1 TRP A 100 -4.266 -10.017 1.667 1.00 0.00 C ATOM 1555 CD2 TRP A 100 -3.005 -8.186 1.940 1.00 0.00 C ATOM 1556 NE1 TRP A 100 -3.395 -10.256 2.703 1.00 0.00 N ATOM 1557 CE2 TRP A 100 -2.611 -9.149 2.889 1.00 0.00 C ATOM 1558 CE3 TRP A 100 -2.350 -6.951 1.920 1.00 0.00 C ATOM 1559 CZ2 TRP A 100 -1.592 -8.913 3.809 1.00 0.00 C ATOM 1560 CZ3 TRP A 100 -1.340 -6.719 2.834 1.00 0.00 C ATOM 1561 CH2 TRP A 100 -0.968 -7.696 3.767 1.00 0.00 C ATOM 0 H TRP A 100 -7.056 -8.941 0.613 1.00 0.00 H new ATOM 0 HA TRP A 100 -5.606 -6.669 1.413 1.00 0.00 H new ATOM 0 HB2 TRP A 100 -5.233 -8.888 -0.599 1.00 0.00 H new ATOM 0 HB3 TRP A 100 -4.103 -7.549 -0.572 1.00 0.00 H new ATOM 0 HD1 TRP A 100 -5.001 -10.719 1.301 1.00 0.00 H new ATOM 0 HE1 TRP A 100 -3.341 -11.118 3.245 1.00 0.00 H new ATOM 0 HE3 TRP A 100 -2.628 -6.192 1.203 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 -1.305 -9.664 4.530 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 -0.828 -5.768 2.829 1.00 0.00 H new ATOM 0 HH2 TRP A 100 -0.173 -7.484 4.467 1.00 0.00 H new ATOM 1572 N ILE A 101 -6.667 -6.581 -1.725 1.00 0.00 N ATOM 1573 CA ILE A 101 -6.976 -5.679 -2.828 1.00 0.00 C ATOM 1574 C ILE A 101 -7.582 -4.375 -2.319 1.00 0.00 C ATOM 1575 O ILE A 101 -7.306 -3.302 -2.854 1.00 0.00 O ATOM 1576 CB ILE A 101 -7.949 -6.327 -3.830 1.00 0.00 C ATOM 1577 CG1 ILE A 101 -7.278 -7.508 -4.535 1.00 0.00 C ATOM 1578 CG2 ILE A 101 -8.426 -5.299 -4.846 1.00 0.00 C ATOM 1579 CD1 ILE A 101 -8.204 -8.264 -5.461 1.00 0.00 C ATOM 0 H ILE A 101 -6.837 -7.567 -1.926 1.00 0.00 H new ATOM 0 HA ILE A 101 -6.034 -5.466 -3.334 1.00 0.00 H new ATOM 0 HB ILE A 101 -8.816 -6.699 -3.283 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -6.425 -7.142 -5.106 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -6.888 -8.195 -3.784 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -9.113 -5.772 -5.547 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -8.937 -4.487 -4.329 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -7.570 -4.901 -5.390 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -7.661 -9.087 -5.926 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -9.045 -8.660 -4.891 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -8.574 -7.591 -6.234 1.00 0.00 H new ATOM 1591 N GLN A 102 -8.406 -4.478 -1.282 1.00 0.00 N ATOM 1592 CA GLN A 102 -9.050 -3.306 -0.700 1.00 0.00 C ATOM 1593 C GLN A 102 -8.159 -2.665 0.359 1.00 0.00 C ATOM 1594 O GLN A 102 -7.798 -1.494 0.254 1.00 0.00 O ATOM 1595 CB GLN A 102 -10.397 -3.691 -0.085 1.00 0.00 C ATOM 1596 CG GLN A 102 -11.347 -4.356 -1.069 1.00 0.00 C ATOM 1597 CD GLN A 102 -12.802 -4.195 -0.674 1.00 0.00 C ATOM 1598 OE1 GLN A 102 -13.315 -3.079 -0.590 1.00 0.00 O ATOM 1599 NE2 GLN A 102 -13.476 -5.313 -0.430 1.00 0.00 N ATOM 0 H GLN A 102 -8.644 -5.360 -0.828 1.00 0.00 H new ATOM 0 HA GLN A 102 -9.216 -2.581 -1.496 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -10.225 -4.366 0.754 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -10.872 -2.797 0.318 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -11.194 -3.930 -2.060 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -11.108 -5.417 -1.138 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -13.011 -6.217 -0.512 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -14.459 -5.268 -0.161 1.00 0.00 H new ATOM 1608 N ALA A 103 -7.809 -3.442 1.380 1.00 0.00 N ATOM 1609 CA ALA A 103 -6.960 -2.950 2.457 1.00 0.00 C ATOM 1610 C ALA A 103 -5.853 -2.050 1.917 1.00 0.00 C ATOM 1611 O ALA A 103 -5.837 -0.847 2.176 1.00 0.00 O ATOM 1612 CB ALA A 103 -6.363 -4.115 3.232 1.00 0.00 C ATOM 0 H ALA A 103 -8.101 -4.414 1.483 1.00 0.00 H new ATOM 0 HA ALA A 103 -7.578 -2.357 3.131 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -5.731 -3.733 4.034 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -7.165 -4.718 3.658 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -5.765 -4.730 2.560 1.00 0.00 H new ATOM 1618 N MET A 104 -4.930 -2.641 1.165 1.00 0.00 N ATOM 1619 CA MET A 104 -3.820 -1.892 0.588 1.00 0.00 C ATOM 1620 C MET A 104 -4.300 -1.005 -0.556 1.00 0.00 C ATOM 1621 O MET A 104 -3.727 0.052 -0.817 1.00 0.00 O ATOM 1622 CB MET A 104 -2.737 -2.848 0.088 1.00 0.00 C ATOM 1623 CG MET A 104 -3.157 -3.660 -1.127 1.00 0.00 C ATOM 1624 SD MET A 104 -1.750 -4.262 -2.080 1.00 0.00 S ATOM 1625 CE MET A 104 -1.098 -5.509 -0.972 1.00 0.00 C ATOM 0 H MET A 104 -4.929 -3.636 0.941 1.00 0.00 H new ATOM 0 HA MET A 104 -3.400 -1.255 1.367 1.00 0.00 H new ATOM 0 HB2 MET A 104 -1.844 -2.275 -0.160 1.00 0.00 H new ATOM 0 HB3 MET A 104 -2.465 -3.530 0.894 1.00 0.00 H new ATOM 0 HG2 MET A 104 -3.760 -4.508 -0.802 1.00 0.00 H new ATOM 0 HG3 MET A 104 -3.789 -3.046 -1.768 1.00 0.00 H new ATOM 0 HE1 MET A 104 -0.153 -5.886 -1.364 1.00 0.00 H new ATOM 0 HE2 MET A 104 -0.934 -5.071 0.012 1.00 0.00 H new ATOM 0 HE3 MET A 104 -1.810 -6.330 -0.889 1.00 0.00 H new ATOM 1635 N GLY A 105 -5.355 -1.443 -1.237 1.00 0.00 N ATOM 1636 CA GLY A 105 -5.894 -0.676 -2.345 1.00 0.00 C ATOM 1637 C GLY A 105 -6.239 0.747 -1.953 1.00 0.00 C ATOM 1638 O GLY A 105 -5.798 1.698 -2.596 1.00 0.00 O ATOM 0 H GLY A 105 -5.846 -2.315 -1.041 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -5.168 -0.660 -3.158 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -6.787 -1.171 -2.725 1.00 0.00 H new ATOM 1642 N GLU A 106 -7.032 0.891 -0.896 1.00 0.00 N ATOM 1643 CA GLU A 106 -7.438 2.209 -0.421 1.00 0.00 C ATOM 1644 C GLU A 106 -6.220 3.082 -0.131 1.00 0.00 C ATOM 1645 O GLU A 106 -6.198 4.266 -0.466 1.00 0.00 O ATOM 1646 CB GLU A 106 -8.298 2.079 0.838 1.00 0.00 C ATOM 1647 CG GLU A 106 -7.491 2.028 2.124 1.00 0.00 C ATOM 1648 CD GLU A 106 -8.363 2.099 3.363 1.00 0.00 C ATOM 1649 OE1 GLU A 106 -8.932 1.057 3.749 1.00 0.00 O ATOM 1650 OE2 GLU A 106 -8.475 3.198 3.946 1.00 0.00 O ATOM 0 H GLU A 106 -7.406 0.113 -0.353 1.00 0.00 H new ATOM 0 HA GLU A 106 -8.026 2.685 -1.206 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -8.988 2.922 0.885 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -8.903 1.176 0.763 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -6.908 1.107 2.147 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -6.781 2.855 2.136 1.00 0.00 H new ATOM 1657 N ALA A 107 -5.210 2.488 0.496 1.00 0.00 N ATOM 1658 CA ALA A 107 -3.989 3.209 0.831 1.00 0.00 C ATOM 1659 C ALA A 107 -3.254 3.659 -0.428 1.00 0.00 C ATOM 1660 O ALA A 107 -2.484 4.618 -0.399 1.00 0.00 O ATOM 1661 CB ALA A 107 -3.083 2.342 1.692 1.00 0.00 C ATOM 0 H ALA A 107 -5.214 1.509 0.782 1.00 0.00 H new ATOM 0 HA ALA A 107 -4.266 4.099 1.396 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -2.175 2.894 1.935 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -3.602 2.075 2.613 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -2.822 1.435 1.147 1.00 0.00 H new ATOM 1667 N ALA A 108 -3.497 2.959 -1.531 1.00 0.00 N ATOM 1668 CA ALA A 108 -2.859 3.287 -2.800 1.00 0.00 C ATOM 1669 C ALA A 108 -3.613 4.399 -3.522 1.00 0.00 C ATOM 1670 O ALA A 108 -3.005 5.310 -4.083 1.00 0.00 O ATOM 1671 CB ALA A 108 -2.769 2.049 -3.681 1.00 0.00 C ATOM 0 H ALA A 108 -4.131 2.161 -1.571 1.00 0.00 H new ATOM 0 HA ALA A 108 -1.851 3.644 -2.590 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -2.291 2.308 -4.625 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -2.181 1.284 -3.174 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -3.771 1.667 -3.875 1.00 0.00 H new ATOM 1677 N ARG A 109 -4.939 4.317 -3.503 1.00 0.00 N ATOM 1678 CA ARG A 109 -5.776 5.315 -4.158 1.00 0.00 C ATOM 1679 C ARG A 109 -5.423 6.720 -3.677 1.00 0.00 C ATOM 1680 O ARG A 109 -4.900 6.898 -2.577 1.00 0.00 O ATOM 1681 CB ARG A 109 -7.254 5.029 -3.889 1.00 0.00 C ATOM 1682 CG ARG A 109 -7.811 5.778 -2.690 1.00 0.00 C ATOM 1683 CD ARG A 109 -9.178 5.247 -2.287 1.00 0.00 C ATOM 1684 NE ARG A 109 -9.836 6.113 -1.313 1.00 0.00 N ATOM 1685 CZ ARG A 109 -11.153 6.162 -1.144 1.00 0.00 C ATOM 1686 NH1 ARG A 109 -11.947 5.398 -1.881 1.00 0.00 N ATOM 1687 NH2 ARG A 109 -11.677 6.976 -0.237 1.00 0.00 N ATOM 0 H ARG A 109 -5.457 3.570 -3.041 1.00 0.00 H new ATOM 0 HA ARG A 109 -5.592 5.259 -5.231 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -7.833 5.294 -4.773 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -7.385 3.959 -3.731 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -7.122 5.687 -1.850 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -7.887 6.839 -2.926 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -9.806 5.155 -3.173 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -9.069 4.247 -1.868 1.00 0.00 H new ATOM 0 HE ARG A 109 -9.253 6.713 -0.730 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -11.547 4.771 -2.579 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -12.958 5.437 -1.750 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -11.069 7.565 0.332 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -12.688 7.013 -0.108 1.00 0.00 H new