USER MOD reduce.3.24.130724 H: found=0, std=0, add=751, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 751 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 57 ASN : amide:sc= -0.234 X(o=-0.32,f=-0.075) USER MOD Set 1.2: A 68 GLN : amide:sc= -0.0902 K(o=-0.32,f=-1.5!) USER MOD Set 2.1: A 58 MET CE :methyl -157:sc= -0.166 (180deg=-0.788) USER MOD Set 2.2: A 65 CYS SG : rot 120:sc= -0.835 USER MOD Set 3.1: A 19 HIS : no HE2:sc= -3.45 K(o=-3.8,f=-5!) USER MOD Set 3.2: A 82 TYR OH : rot 22:sc= -0.384 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.311 K(o=-0.31,f=-2.6!) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc=-0.00919 X(o=-0.0092,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 GLN : amide:sc= -0.214 K(o=-0.21,f=-2.7!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 CYS SG : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl -167:sc= -3.34 (180deg=-5.1!) USER MOD Single : A 72 TYR OH : rot 14:sc= 0.248 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -0.0619 X(o=-0.062,f=0.22) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot -65:sc= 0.969 USER MOD Single : A 87 GLN : amide:sc= -0.0187 X(o=-0.019,f=-0.35) USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 68 N VAL A 8 -3.873 -12.484 0.165 1.00 0.00 N ATOM 69 CA VAL A 8 -3.124 -11.278 -0.169 1.00 0.00 C ATOM 70 C VAL A 8 -1.974 -11.594 -1.119 1.00 0.00 C ATOM 71 O VAL A 8 -1.592 -10.764 -1.944 1.00 0.00 O ATOM 72 CB VAL A 8 -2.562 -10.598 1.094 1.00 0.00 C ATOM 73 CG1 VAL A 8 -1.917 -9.265 0.744 1.00 0.00 C ATOM 74 CG2 VAL A 8 -3.657 -10.411 2.135 1.00 0.00 C ATOM 0 HA VAL A 8 -3.820 -10.597 -0.658 1.00 0.00 H new ATOM 0 HB VAL A 8 -1.795 -11.246 1.519 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -1.526 -8.801 1.650 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -1.102 -9.429 0.040 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.660 -8.609 0.292 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -3.240 -9.929 3.019 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -4.449 -9.787 1.722 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.067 -11.383 2.411 1.00 0.00 H new ATOM 84 N SER A 9 -1.427 -12.799 -0.998 1.00 0.00 N ATOM 85 CA SER A 9 -0.320 -13.224 -1.847 1.00 0.00 C ATOM 86 C SER A 9 -0.722 -13.201 -3.319 1.00 0.00 C ATOM 87 O SER A 9 0.059 -12.797 -4.180 1.00 0.00 O ATOM 88 CB SER A 9 0.141 -14.629 -1.452 1.00 0.00 C ATOM 89 OG SER A 9 1.554 -14.699 -1.374 1.00 0.00 O ATOM 0 H SER A 9 -1.732 -13.498 -0.321 1.00 0.00 H new ATOM 0 HA SER A 9 0.504 -12.525 -1.705 1.00 0.00 H new ATOM 0 HB2 SER A 9 -0.293 -14.901 -0.490 1.00 0.00 H new ATOM 0 HB3 SER A 9 -0.222 -15.353 -2.181 1.00 0.00 H new ATOM 0 HG SER A 9 1.823 -15.606 -1.118 1.00 0.00 H new ATOM 95 N GLN A 10 -1.945 -13.639 -3.599 1.00 0.00 N ATOM 96 CA GLN A 10 -2.453 -13.669 -4.966 1.00 0.00 C ATOM 97 C GLN A 10 -2.633 -12.256 -5.511 1.00 0.00 C ATOM 98 O GLN A 10 -2.395 -12.000 -6.691 1.00 0.00 O ATOM 99 CB GLN A 10 -3.783 -14.424 -5.022 1.00 0.00 C ATOM 100 CG GLN A 10 -3.635 -15.892 -5.388 1.00 0.00 C ATOM 101 CD GLN A 10 -2.660 -16.622 -4.486 1.00 0.00 C ATOM 102 OE1 GLN A 10 -1.453 -16.387 -4.538 1.00 0.00 O ATOM 103 NE2 GLN A 10 -3.180 -17.515 -3.653 1.00 0.00 N ATOM 0 H GLN A 10 -2.603 -13.978 -2.897 1.00 0.00 H new ATOM 0 HA GLN A 10 -1.723 -14.188 -5.587 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -4.275 -14.348 -4.053 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -4.435 -13.941 -5.750 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -4.610 -16.377 -5.331 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -3.298 -15.973 -6.422 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -4.187 -17.678 -3.644 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -2.573 -18.038 -3.022 1.00 0.00 H new ATOM 112 N ARG A 11 -3.058 -11.343 -4.644 1.00 0.00 N ATOM 113 CA ARG A 11 -3.273 -9.955 -5.038 1.00 0.00 C ATOM 114 C ARG A 11 -1.958 -9.291 -5.440 1.00 0.00 C ATOM 115 O ARG A 11 -0.886 -9.693 -4.987 1.00 0.00 O ATOM 116 CB ARG A 11 -3.922 -9.175 -3.893 1.00 0.00 C ATOM 117 CG ARG A 11 -5.210 -9.800 -3.386 1.00 0.00 C ATOM 118 CD ARG A 11 -6.285 -9.813 -4.461 1.00 0.00 C ATOM 119 NE ARG A 11 -7.486 -10.521 -4.027 1.00 0.00 N ATOM 120 CZ ARG A 11 -8.668 -10.413 -4.627 1.00 0.00 C ATOM 121 NH1 ARG A 11 -8.812 -9.628 -5.688 1.00 0.00 N ATOM 122 NH2 ARG A 11 -9.710 -11.092 -4.167 1.00 0.00 N ATOM 0 H ARG A 11 -3.260 -11.539 -3.664 1.00 0.00 H new ATOM 0 HA ARG A 11 -3.940 -9.947 -5.900 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -3.214 -9.101 -3.067 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -4.128 -8.158 -4.228 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -5.014 -10.819 -3.053 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -5.568 -9.245 -2.519 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -6.545 -8.788 -4.726 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -5.891 -10.285 -5.361 1.00 0.00 H new ATOM 0 HE ARG A 11 -7.414 -11.135 -3.216 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -8.014 -9.104 -6.047 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -9.721 -9.549 -6.144 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -9.605 -11.697 -3.353 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -10.616 -11.009 -4.627 1.00 0.00 H new ATOM 136 N PRO A 12 -2.024 -8.260 -6.299 1.00 0.00 N ATOM 137 CA PRO A 12 -0.833 -7.538 -6.762 1.00 0.00 C ATOM 138 C PRO A 12 -0.136 -6.789 -5.631 1.00 0.00 C ATOM 139 O PRO A 12 -0.711 -6.580 -4.563 1.00 0.00 O ATOM 140 CB PRO A 12 -1.384 -6.554 -7.797 1.00 0.00 C ATOM 141 CG PRO A 12 -2.822 -6.391 -7.444 1.00 0.00 C ATOM 142 CD PRO A 12 -3.261 -7.715 -6.886 1.00 0.00 C ATOM 0 HA PRO A 12 -0.079 -8.215 -7.164 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -0.857 -5.601 -7.756 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -1.267 -6.939 -8.810 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -2.957 -5.595 -6.712 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -3.411 -6.122 -8.320 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -4.044 -7.597 -6.137 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -3.659 -8.367 -7.663 1.00 0.00 H new ATOM 150 N PHE A 13 1.108 -6.388 -5.873 1.00 0.00 N ATOM 151 CA PHE A 13 1.886 -5.662 -4.875 1.00 0.00 C ATOM 152 C PHE A 13 1.358 -4.242 -4.695 1.00 0.00 C ATOM 153 O PHE A 13 1.358 -3.705 -3.588 1.00 0.00 O ATOM 154 CB PHE A 13 3.361 -5.620 -5.280 1.00 0.00 C ATOM 155 CG PHE A 13 4.242 -4.938 -4.273 1.00 0.00 C ATOM 156 CD1 PHE A 13 4.537 -5.548 -3.065 1.00 0.00 C ATOM 157 CD2 PHE A 13 4.773 -3.685 -4.534 1.00 0.00 C ATOM 158 CE1 PHE A 13 5.348 -4.923 -2.137 1.00 0.00 C ATOM 159 CE2 PHE A 13 5.583 -3.054 -3.610 1.00 0.00 C ATOM 160 CZ PHE A 13 5.872 -3.674 -2.409 1.00 0.00 C ATOM 0 H PHE A 13 1.599 -6.553 -6.752 1.00 0.00 H new ATOM 0 HA PHE A 13 1.789 -6.188 -3.925 1.00 0.00 H new ATOM 0 HB2 PHE A 13 3.717 -6.639 -5.430 1.00 0.00 H new ATOM 0 HB3 PHE A 13 3.452 -5.106 -6.237 1.00 0.00 H new ATOM 0 HD1 PHE A 13 4.128 -6.523 -2.846 1.00 0.00 H new ATOM 0 HD2 PHE A 13 4.551 -3.196 -5.471 1.00 0.00 H new ATOM 0 HE1 PHE A 13 5.572 -5.411 -1.200 1.00 0.00 H new ATOM 0 HE2 PHE A 13 5.990 -2.077 -3.826 1.00 0.00 H new ATOM 0 HZ PHE A 13 6.506 -3.183 -1.685 1.00 0.00 H new ATOM 170 N ARG A 14 0.908 -3.640 -5.791 1.00 0.00 N ATOM 171 CA ARG A 14 0.378 -2.281 -5.754 1.00 0.00 C ATOM 172 C ARG A 14 -0.817 -2.186 -4.810 1.00 0.00 C ATOM 173 O ARG A 14 -1.065 -1.139 -4.210 1.00 0.00 O ATOM 174 CB ARG A 14 -0.023 -1.828 -7.160 1.00 0.00 C ATOM 175 CG ARG A 14 0.524 -0.462 -7.536 1.00 0.00 C ATOM 176 CD ARG A 14 0.740 -0.340 -9.037 1.00 0.00 C ATOM 177 NE ARG A 14 1.753 -1.276 -9.522 1.00 0.00 N ATOM 178 CZ ARG A 14 2.424 -1.117 -10.661 1.00 0.00 C ATOM 179 NH1 ARG A 14 2.194 -0.066 -11.437 1.00 0.00 N ATOM 180 NH2 ARG A 14 3.329 -2.015 -11.025 1.00 0.00 N ATOM 0 H ARG A 14 0.900 -4.071 -6.715 1.00 0.00 H new ATOM 0 HA ARG A 14 1.162 -1.622 -5.380 1.00 0.00 H new ATOM 0 HB2 ARG A 14 0.329 -2.563 -7.884 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -1.111 -1.807 -7.230 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -0.168 0.312 -7.203 1.00 0.00 H new ATOM 0 HG3 ARG A 14 1.467 -0.291 -7.017 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -0.201 -0.524 -9.555 1.00 0.00 H new ATOM 0 HD3 ARG A 14 1.043 0.679 -9.278 1.00 0.00 H new ATOM 0 HE ARG A 14 1.958 -2.099 -8.955 1.00 0.00 H new ATOM 0 HH11 ARG A 14 1.499 0.628 -11.163 1.00 0.00 H new ATOM 0 HH12 ARG A 14 2.713 0.048 -12.308 1.00 0.00 H new ATOM 0 HH21 ARG A 14 3.510 -2.826 -10.433 1.00 0.00 H new ATOM 0 HH22 ARG A 14 3.844 -1.895 -11.897 1.00 0.00 H new ATOM 194 N ASP A 15 -1.556 -3.282 -4.684 1.00 0.00 N ATOM 195 CA ASP A 15 -2.725 -3.320 -3.813 1.00 0.00 C ATOM 196 C ASP A 15 -2.314 -3.514 -2.357 1.00 0.00 C ATOM 197 O ASP A 15 -2.910 -2.933 -1.451 1.00 0.00 O ATOM 198 CB ASP A 15 -3.672 -4.442 -4.243 1.00 0.00 C ATOM 199 CG ASP A 15 -4.757 -3.954 -5.182 1.00 0.00 C ATOM 200 OD1 ASP A 15 -5.587 -3.125 -4.752 1.00 0.00 O ATOM 201 OD2 ASP A 15 -4.778 -4.399 -6.349 1.00 0.00 O ATOM 0 H ASP A 15 -1.367 -4.156 -5.174 1.00 0.00 H new ATOM 0 HA ASP A 15 -3.243 -2.365 -3.900 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -3.099 -5.230 -4.732 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -4.132 -4.884 -3.359 1.00 0.00 H new ATOM 206 N ARG A 16 -1.290 -4.333 -2.140 1.00 0.00 N ATOM 207 CA ARG A 16 -0.798 -4.602 -0.794 1.00 0.00 C ATOM 208 C ARG A 16 -0.327 -3.318 -0.121 1.00 0.00 C ATOM 209 O ARG A 16 -0.562 -3.107 1.069 1.00 0.00 O ATOM 210 CB ARG A 16 0.346 -5.616 -0.841 1.00 0.00 C ATOM 211 CG ARG A 16 -0.118 -7.061 -0.756 1.00 0.00 C ATOM 212 CD ARG A 16 0.690 -7.961 -1.677 1.00 0.00 C ATOM 213 NE ARG A 16 2.061 -8.141 -1.202 1.00 0.00 N ATOM 214 CZ ARG A 16 2.862 -9.125 -1.606 1.00 0.00 C ATOM 215 NH1 ARG A 16 2.435 -10.017 -2.491 1.00 0.00 N ATOM 216 NH2 ARG A 16 4.094 -9.216 -1.124 1.00 0.00 N ATOM 0 H ARG A 16 -0.785 -4.822 -2.879 1.00 0.00 H new ATOM 0 HA ARG A 16 -1.619 -5.017 -0.209 1.00 0.00 H new ATOM 0 HB2 ARG A 16 0.906 -5.477 -1.766 1.00 0.00 H new ATOM 0 HB3 ARG A 16 1.033 -5.415 -0.019 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -0.026 -7.414 0.271 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.174 -7.121 -1.021 1.00 0.00 H new ATOM 0 HD2 ARG A 16 0.202 -8.933 -1.754 1.00 0.00 H new ATOM 0 HD3 ARG A 16 0.707 -7.533 -2.679 1.00 0.00 H new ATOM 0 HE ARG A 16 2.425 -7.474 -0.522 1.00 0.00 H new ATOM 0 HH11 ARG A 16 1.489 -9.951 -2.866 1.00 0.00 H new ATOM 0 HH12 ARG A 16 3.053 -10.768 -2.797 1.00 0.00 H new ATOM 0 HH21 ARG A 16 4.427 -8.533 -0.444 1.00 0.00 H new ATOM 0 HH22 ARG A 16 4.708 -9.969 -1.433 1.00 0.00 H new ATOM 230 N VAL A 17 0.339 -2.464 -0.890 1.00 0.00 N ATOM 231 CA VAL A 17 0.845 -1.199 -0.369 1.00 0.00 C ATOM 232 C VAL A 17 -0.242 -0.130 -0.370 1.00 0.00 C ATOM 233 O VAL A 17 -0.255 0.757 0.483 1.00 0.00 O ATOM 234 CB VAL A 17 2.047 -0.694 -1.188 1.00 0.00 C ATOM 235 CG1 VAL A 17 2.684 0.513 -0.516 1.00 0.00 C ATOM 236 CG2 VAL A 17 3.067 -1.807 -1.381 1.00 0.00 C ATOM 0 H VAL A 17 0.541 -2.624 -1.877 1.00 0.00 H new ATOM 0 HA VAL A 17 1.167 -1.385 0.656 1.00 0.00 H new ATOM 0 HB VAL A 17 1.689 -0.386 -2.170 1.00 0.00 H new ATOM 0 HG11 VAL A 17 3.532 0.855 -1.110 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.950 1.315 -0.436 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.028 0.235 0.480 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.909 -1.432 -1.962 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.421 -2.149 -0.408 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.602 -2.638 -1.911 1.00 0.00 H new ATOM 246 N LEU A 18 -1.153 -0.221 -1.333 1.00 0.00 N ATOM 247 CA LEU A 18 -2.246 0.738 -1.445 1.00 0.00 C ATOM 248 C LEU A 18 -3.235 0.576 -0.296 1.00 0.00 C ATOM 249 O LEU A 18 -3.866 1.540 0.134 1.00 0.00 O ATOM 250 CB LEU A 18 -2.967 0.567 -2.784 1.00 0.00 C ATOM 251 CG LEU A 18 -4.175 1.481 -2.990 1.00 0.00 C ATOM 252 CD1 LEU A 18 -3.724 2.912 -3.240 1.00 0.00 C ATOM 253 CD2 LEU A 18 -5.030 0.981 -4.144 1.00 0.00 C ATOM 0 H LEU A 18 -1.156 -0.949 -2.047 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.822 1.741 -1.394 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.254 0.746 -3.589 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.295 -0.469 -2.873 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.779 1.465 -2.083 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.597 3.549 -3.384 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.153 3.268 -2.383 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.099 2.946 -4.132 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.885 1.643 -4.277 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.436 0.968 -5.058 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.382 -0.027 -3.926 1.00 0.00 H new ATOM 265 N HIS A 19 -3.365 -0.652 0.198 1.00 0.00 N ATOM 266 CA HIS A 19 -4.279 -0.940 1.298 1.00 0.00 C ATOM 267 C HIS A 19 -3.632 -0.622 2.641 1.00 0.00 C ATOM 268 O HIS A 19 -4.301 -0.173 3.572 1.00 0.00 O ATOM 269 CB HIS A 19 -4.708 -2.408 1.259 1.00 0.00 C ATOM 270 CG HIS A 19 -5.919 -2.656 0.417 1.00 0.00 C ATOM 271 ND1 HIS A 19 -5.871 -3.044 -0.903 1.00 0.00 N ATOM 272 CD2 HIS A 19 -7.237 -2.564 0.732 1.00 0.00 C ATOM 273 CE1 HIS A 19 -7.132 -3.172 -1.341 1.00 0.00 C ATOM 274 NE2 HIS A 19 -7.998 -2.893 -0.386 1.00 0.00 N ATOM 0 H HIS A 19 -2.850 -1.462 -0.146 1.00 0.00 H new ATOM 0 HA HIS A 19 -5.159 -0.308 1.182 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -3.882 -3.009 0.879 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -4.907 -2.747 2.276 1.00 0.00 H new ATOM 0 HD1 HIS A 19 -5.026 -3.206 -1.451 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -7.632 -2.281 1.697 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -7.403 -3.465 -2.344 1.00 0.00 H new ATOM 282 N LEU A 20 -2.328 -0.858 2.736 1.00 0.00 N ATOM 283 CA LEU A 20 -1.592 -0.596 3.967 1.00 0.00 C ATOM 284 C LEU A 20 -1.573 0.895 4.286 1.00 0.00 C ATOM 285 O LEU A 20 -2.003 1.316 5.361 1.00 0.00 O ATOM 286 CB LEU A 20 -0.159 -1.122 3.851 1.00 0.00 C ATOM 287 CG LEU A 20 -0.007 -2.632 4.034 1.00 0.00 C ATOM 288 CD1 LEU A 20 1.350 -3.098 3.530 1.00 0.00 C ATOM 289 CD2 LEU A 20 -0.193 -3.013 5.496 1.00 0.00 C ATOM 0 H LEU A 20 -1.759 -1.230 1.975 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.099 -1.116 4.780 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.234 -0.849 2.872 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.458 -0.617 4.594 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.780 -3.129 3.447 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.439 -4.175 3.669 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.446 -2.859 2.471 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.138 -2.594 4.089 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.081 -4.091 5.608 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.557 -2.506 6.102 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.188 -2.715 5.826 1.00 0.00 H new ATOM 301 N LEU A 21 -1.074 1.691 3.346 1.00 0.00 N ATOM 302 CA LEU A 21 -1.000 3.137 3.527 1.00 0.00 C ATOM 303 C LEU A 21 -2.386 3.728 3.766 1.00 0.00 C ATOM 304 O LEU A 21 -2.530 4.736 4.458 1.00 0.00 O ATOM 305 CB LEU A 21 -0.359 3.794 2.303 1.00 0.00 C ATOM 306 CG LEU A 21 1.023 3.255 1.929 1.00 0.00 C ATOM 307 CD1 LEU A 21 1.365 3.617 0.492 1.00 0.00 C ATOM 308 CD2 LEU A 21 2.080 3.793 2.881 1.00 0.00 C ATOM 0 H LEU A 21 -0.715 1.359 2.451 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.383 3.336 4.403 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.025 3.666 1.450 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.277 4.865 2.486 1.00 0.00 H new ATOM 0 HG LEU A 21 1.004 2.169 2.015 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.351 3.226 0.243 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.623 3.184 -0.179 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.366 4.701 0.380 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.057 3.399 2.600 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.098 4.882 2.827 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.844 3.484 3.899 1.00 0.00 H new ATOM 320 N ALA A 22 -3.402 3.095 3.190 1.00 0.00 N ATOM 321 CA ALA A 22 -4.776 3.558 3.338 1.00 0.00 C ATOM 322 C ALA A 22 -5.189 3.595 4.806 1.00 0.00 C ATOM 323 O ALA A 22 -6.005 4.423 5.210 1.00 0.00 O ATOM 324 CB ALA A 22 -5.721 2.667 2.546 1.00 0.00 C ATOM 0 H ALA A 22 -3.299 2.259 2.615 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.835 4.573 2.945 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -6.744 3.024 2.666 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -5.448 2.694 1.491 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.649 1.643 2.913 1.00 0.00 H new ATOM 330 N LEU A 23 -4.618 2.695 5.599 1.00 0.00 N ATOM 331 CA LEU A 23 -4.928 2.626 7.023 1.00 0.00 C ATOM 332 C LEU A 23 -4.172 3.700 7.799 1.00 0.00 C ATOM 333 O LEU A 23 -4.778 4.586 8.401 1.00 0.00 O ATOM 334 CB LEU A 23 -4.583 1.242 7.575 1.00 0.00 C ATOM 335 CG LEU A 23 -5.596 0.143 7.251 1.00 0.00 C ATOM 336 CD1 LEU A 23 -5.196 -1.166 7.914 1.00 0.00 C ATOM 337 CD2 LEU A 23 -6.992 0.561 7.691 1.00 0.00 C ATOM 0 H LEU A 23 -3.939 2.004 5.281 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.997 2.802 7.145 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.610 0.944 7.184 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.483 1.315 8.658 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.606 -0.010 6.172 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.929 -1.935 7.672 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.215 -1.473 7.552 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.157 -1.029 8.995 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -7.701 -0.232 7.453 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -6.996 0.741 8.766 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -7.280 1.474 7.169 1.00 0.00 H new ATOM 349 N ARG A 24 -2.846 3.614 7.779 1.00 0.00 N ATOM 350 CA ARG A 24 -2.008 4.579 8.482 1.00 0.00 C ATOM 351 C ARG A 24 -0.703 4.821 7.726 1.00 0.00 C ATOM 352 O ARG A 24 -0.226 3.949 7.000 1.00 0.00 O ATOM 353 CB ARG A 24 -1.705 4.088 9.899 1.00 0.00 C ATOM 354 CG ARG A 24 -1.303 2.622 9.961 1.00 0.00 C ATOM 355 CD ARG A 24 -0.075 2.410 10.834 1.00 0.00 C ATOM 356 NE ARG A 24 -0.344 1.502 11.946 1.00 0.00 N ATOM 357 CZ ARG A 24 0.604 0.873 12.636 1.00 0.00 C ATOM 358 NH1 ARG A 24 1.884 1.050 12.332 1.00 0.00 N ATOM 359 NH2 ARG A 24 0.272 0.064 13.634 1.00 0.00 N ATOM 0 H ARG A 24 -2.329 2.887 7.284 1.00 0.00 H new ATOM 0 HA ARG A 24 -2.554 5.521 8.540 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -0.904 4.694 10.321 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -2.585 4.242 10.524 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -2.133 2.034 10.352 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -1.100 2.258 8.954 1.00 0.00 H new ATOM 0 HD2 ARG A 24 0.737 2.009 10.227 1.00 0.00 H new ATOM 0 HD3 ARG A 24 0.263 3.370 11.224 1.00 0.00 H new ATOM 0 HE ARG A 24 -1.316 1.341 12.209 1.00 0.00 H new ATOM 0 HH11 ARG A 24 2.145 1.671 11.566 1.00 0.00 H new ATOM 0 HH12 ARG A 24 2.606 0.565 12.864 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -0.710 -0.076 13.872 1.00 0.00 H new ATOM 0 HH22 ARG A 24 0.999 -0.418 14.163 1.00 0.00 H new ATOM 373 N PRO A 25 -0.107 6.015 7.888 1.00 0.00 N ATOM 374 CA PRO A 25 1.148 6.369 7.217 1.00 0.00 C ATOM 375 C PRO A 25 2.253 5.353 7.488 1.00 0.00 C ATOM 376 O PRO A 25 2.673 5.167 8.630 1.00 0.00 O ATOM 377 CB PRO A 25 1.512 7.726 7.826 1.00 0.00 C ATOM 378 CG PRO A 25 0.219 8.289 8.303 1.00 0.00 C ATOM 379 CD PRO A 25 -0.609 7.112 8.736 1.00 0.00 C ATOM 0 HA PRO A 25 1.036 6.391 6.133 1.00 0.00 H new ATOM 0 HB2 PRO A 25 2.221 7.614 8.646 1.00 0.00 H new ATOM 0 HB3 PRO A 25 1.979 8.378 7.088 1.00 0.00 H new ATOM 0 HG2 PRO A 25 0.376 8.981 9.130 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -0.280 8.847 7.511 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -0.476 6.895 9.796 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -1.673 7.288 8.578 1.00 0.00 H new ATOM 387 N TYR A 26 2.718 4.696 6.430 1.00 0.00 N ATOM 388 CA TYR A 26 3.775 3.697 6.554 1.00 0.00 C ATOM 389 C TYR A 26 5.077 4.205 5.946 1.00 0.00 C ATOM 390 O TYR A 26 5.128 4.555 4.767 1.00 0.00 O ATOM 391 CB TYR A 26 3.354 2.392 5.876 1.00 0.00 C ATOM 392 CG TYR A 26 2.693 1.408 6.814 1.00 0.00 C ATOM 393 CD1 TYR A 26 3.441 0.697 7.744 1.00 0.00 C ATOM 394 CD2 TYR A 26 1.322 1.190 6.770 1.00 0.00 C ATOM 395 CE1 TYR A 26 2.841 -0.204 8.603 1.00 0.00 C ATOM 396 CE2 TYR A 26 0.714 0.291 7.625 1.00 0.00 C ATOM 397 CZ TYR A 26 1.477 -0.404 8.540 1.00 0.00 C ATOM 398 OH TYR A 26 0.876 -1.298 9.394 1.00 0.00 O ATOM 0 H TYR A 26 2.380 4.837 5.478 1.00 0.00 H new ATOM 0 HA TYR A 26 3.941 3.509 7.615 1.00 0.00 H new ATOM 0 HB2 TYR A 26 2.668 2.621 5.061 1.00 0.00 H new ATOM 0 HB3 TYR A 26 4.232 1.924 5.431 1.00 0.00 H new ATOM 0 HD1 TYR A 26 4.509 0.851 7.797 1.00 0.00 H new ATOM 0 HD2 TYR A 26 0.721 1.732 6.055 1.00 0.00 H new ATOM 0 HE1 TYR A 26 3.437 -0.749 9.320 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -0.353 0.133 7.577 1.00 0.00 H new ATOM 0 HH TYR A 26 -0.088 -1.319 9.220 1.00 0.00 H new ATOM 408 N ARG A 27 6.129 4.243 6.758 1.00 0.00 N ATOM 409 CA ARG A 27 7.432 4.707 6.299 1.00 0.00 C ATOM 410 C ARG A 27 8.011 3.758 5.254 1.00 0.00 C ATOM 411 O ARG A 27 7.338 2.831 4.802 1.00 0.00 O ATOM 412 CB ARG A 27 8.397 4.834 7.479 1.00 0.00 C ATOM 413 CG ARG A 27 7.840 5.650 8.634 1.00 0.00 C ATOM 414 CD ARG A 27 8.820 5.715 9.793 1.00 0.00 C ATOM 415 NE ARG A 27 8.143 5.664 11.087 1.00 0.00 N ATOM 416 CZ ARG A 27 8.759 5.833 12.254 1.00 0.00 C ATOM 417 NH1 ARG A 27 10.066 6.063 12.296 1.00 0.00 N ATOM 418 NH2 ARG A 27 8.069 5.770 13.384 1.00 0.00 N ATOM 0 H ARG A 27 6.104 3.958 7.737 1.00 0.00 H new ATOM 0 HA ARG A 27 7.299 5.687 5.840 1.00 0.00 H new ATOM 0 HB2 ARG A 27 8.651 3.837 7.839 1.00 0.00 H new ATOM 0 HB3 ARG A 27 9.323 5.294 7.133 1.00 0.00 H new ATOM 0 HG2 ARG A 27 7.613 6.659 8.291 1.00 0.00 H new ATOM 0 HG3 ARG A 27 6.902 5.210 8.973 1.00 0.00 H new ATOM 0 HD2 ARG A 27 9.524 4.886 9.719 1.00 0.00 H new ATOM 0 HD3 ARG A 27 9.402 6.634 9.724 1.00 0.00 H new ATOM 0 HE ARG A 27 7.138 5.488 11.096 1.00 0.00 H new ATOM 0 HH11 ARG A 27 10.603 6.111 11.430 1.00 0.00 H new ATOM 0 HH12 ARG A 27 10.533 6.192 13.194 1.00 0.00 H new ATOM 0 HH21 ARG A 27 7.065 5.592 13.359 1.00 0.00 H new ATOM 0 HH22 ARG A 27 8.542 5.900 14.278 1.00 0.00 H new ATOM 432 N LYS A 28 9.263 3.995 4.875 1.00 0.00 N ATOM 433 CA LYS A 28 9.931 3.161 3.884 1.00 0.00 C ATOM 434 C LYS A 28 10.401 1.850 4.505 1.00 0.00 C ATOM 435 O LYS A 28 10.272 0.785 3.901 1.00 0.00 O ATOM 436 CB LYS A 28 11.121 3.907 3.277 1.00 0.00 C ATOM 437 CG LYS A 28 11.303 3.656 1.790 1.00 0.00 C ATOM 438 CD LYS A 28 12.769 3.479 1.427 1.00 0.00 C ATOM 439 CE LYS A 28 13.155 2.010 1.369 1.00 0.00 C ATOM 440 NZ LYS A 28 14.293 1.771 0.439 1.00 0.00 N ATOM 0 H LYS A 28 9.834 4.757 5.239 1.00 0.00 H new ATOM 0 HA LYS A 28 9.214 2.932 3.095 1.00 0.00 H new ATOM 0 HB2 LYS A 28 10.991 4.976 3.443 1.00 0.00 H new ATOM 0 HB3 LYS A 28 12.030 3.611 3.801 1.00 0.00 H new ATOM 0 HG2 LYS A 28 10.746 2.765 1.500 1.00 0.00 H new ATOM 0 HG3 LYS A 28 10.886 4.490 1.226 1.00 0.00 H new ATOM 0 HD2 LYS A 28 12.965 3.946 0.462 1.00 0.00 H new ATOM 0 HD3 LYS A 28 13.391 3.991 2.161 1.00 0.00 H new ATOM 0 HE2 LYS A 28 13.424 1.666 2.368 1.00 0.00 H new ATOM 0 HE3 LYS A 28 12.295 1.421 1.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 14.525 0.757 0.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 14.028 2.076 -0.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 15.122 2.313 0.758 1.00 0.00 H new ATOM 454 N ALA A 29 10.946 1.935 5.714 1.00 0.00 N ATOM 455 CA ALA A 29 11.434 0.754 6.417 1.00 0.00 C ATOM 456 C ALA A 29 10.297 0.028 7.127 1.00 0.00 C ATOM 457 O ALA A 29 10.238 -1.201 7.128 1.00 0.00 O ATOM 458 CB ALA A 29 12.517 1.144 7.412 1.00 0.00 C ATOM 0 H ALA A 29 11.061 2.809 6.227 1.00 0.00 H new ATOM 0 HA ALA A 29 11.860 0.073 5.680 1.00 0.00 H new ATOM 0 HB1 ALA A 29 12.873 0.253 7.930 1.00 0.00 H new ATOM 0 HB2 ALA A 29 13.347 1.611 6.882 1.00 0.00 H new ATOM 0 HB3 ALA A 29 12.108 1.847 8.138 1.00 0.00 H new ATOM 464 N GLU A 30 9.395 0.796 7.729 1.00 0.00 N ATOM 465 CA GLU A 30 8.259 0.226 8.442 1.00 0.00 C ATOM 466 C GLU A 30 7.360 -0.560 7.491 1.00 0.00 C ATOM 467 O GLU A 30 6.735 -1.544 7.884 1.00 0.00 O ATOM 468 CB GLU A 30 7.453 1.330 9.130 1.00 0.00 C ATOM 469 CG GLU A 30 7.019 0.975 10.543 1.00 0.00 C ATOM 470 CD GLU A 30 5.952 -0.101 10.572 1.00 0.00 C ATOM 471 OE1 GLU A 30 6.290 -1.280 10.334 1.00 0.00 O ATOM 472 OE2 GLU A 30 4.776 0.234 10.832 1.00 0.00 O ATOM 0 H GLU A 30 9.429 1.815 7.737 1.00 0.00 H new ATOM 0 HA GLU A 30 8.643 -0.457 9.199 1.00 0.00 H new ATOM 0 HB2 GLU A 30 8.052 2.240 9.161 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.569 1.550 8.532 1.00 0.00 H new ATOM 0 HG2 GLU A 30 7.886 0.637 11.111 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.641 1.869 11.039 1.00 0.00 H new ATOM 479 N LEU A 31 7.302 -0.117 6.240 1.00 0.00 N ATOM 480 CA LEU A 31 6.481 -0.778 5.232 1.00 0.00 C ATOM 481 C LEU A 31 7.213 -1.975 4.631 1.00 0.00 C ATOM 482 O LEU A 31 6.593 -2.969 4.255 1.00 0.00 O ATOM 483 CB LEU A 31 6.098 0.208 4.128 1.00 0.00 C ATOM 484 CG LEU A 31 4.910 -0.218 3.263 1.00 0.00 C ATOM 485 CD1 LEU A 31 3.626 -0.203 4.079 1.00 0.00 C ATOM 486 CD2 LEU A 31 4.782 0.688 2.048 1.00 0.00 C ATOM 0 H LEU A 31 7.814 0.697 5.900 1.00 0.00 H new ATOM 0 HA LEU A 31 5.574 -1.137 5.718 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.868 1.171 4.585 1.00 0.00 H new ATOM 0 HB3 LEU A 31 6.962 0.360 3.482 1.00 0.00 H new ATOM 0 HG LEU A 31 5.085 -1.236 2.914 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.791 -0.508 3.449 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.720 -0.893 4.917 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.446 0.804 4.456 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.932 0.370 1.445 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.630 1.716 2.375 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.693 0.628 1.452 1.00 0.00 H new ATOM 498 N LEU A 32 8.536 -1.871 4.544 1.00 0.00 N ATOM 499 CA LEU A 32 9.350 -2.945 3.988 1.00 0.00 C ATOM 500 C LEU A 32 9.303 -4.182 4.881 1.00 0.00 C ATOM 501 O LEU A 32 9.054 -5.290 4.407 1.00 0.00 O ATOM 502 CB LEU A 32 10.798 -2.480 3.817 1.00 0.00 C ATOM 503 CG LEU A 32 11.080 -1.699 2.533 1.00 0.00 C ATOM 504 CD1 LEU A 32 12.457 -1.055 2.590 1.00 0.00 C ATOM 505 CD2 LEU A 32 10.966 -2.611 1.320 1.00 0.00 C ATOM 0 H LEU A 32 9.066 -1.055 4.851 1.00 0.00 H new ATOM 0 HA LEU A 32 8.942 -3.208 3.012 1.00 0.00 H new ATOM 0 HB2 LEU A 32 11.066 -1.856 4.670 1.00 0.00 H new ATOM 0 HB3 LEU A 32 11.450 -3.353 3.843 1.00 0.00 H new ATOM 0 HG LEU A 32 10.336 -0.908 2.441 1.00 0.00 H new ATOM 0 HD11 LEU A 32 12.639 -0.504 1.667 1.00 0.00 H new ATOM 0 HD12 LEU A 32 12.504 -0.371 3.437 1.00 0.00 H new ATOM 0 HD13 LEU A 32 13.216 -1.829 2.706 1.00 0.00 H new ATOM 0 HD21 LEU A 32 11.170 -2.039 0.415 1.00 0.00 H new ATOM 0 HD22 LEU A 32 11.688 -3.423 1.406 1.00 0.00 H new ATOM 0 HD23 LEU A 32 9.959 -3.025 1.269 1.00 0.00 H new ATOM 517 N LEU A 33 9.544 -3.983 6.172 1.00 0.00 N ATOM 518 CA LEU A 33 9.528 -5.083 7.131 1.00 0.00 C ATOM 519 C LEU A 33 8.163 -5.762 7.159 1.00 0.00 C ATOM 520 O LEU A 33 8.063 -6.968 7.380 1.00 0.00 O ATOM 521 CB LEU A 33 9.886 -4.574 8.529 1.00 0.00 C ATOM 522 CG LEU A 33 11.324 -4.076 8.689 1.00 0.00 C ATOM 523 CD1 LEU A 33 11.377 -2.895 9.646 1.00 0.00 C ATOM 524 CD2 LEU A 33 12.225 -5.201 9.177 1.00 0.00 C ATOM 0 H LEU A 33 9.753 -3.071 6.579 1.00 0.00 H new ATOM 0 HA LEU A 33 10.271 -5.816 6.817 1.00 0.00 H new ATOM 0 HB2 LEU A 33 9.206 -3.763 8.789 1.00 0.00 H new ATOM 0 HB3 LEU A 33 9.714 -5.376 9.246 1.00 0.00 H new ATOM 0 HG LEU A 33 11.684 -3.744 7.715 1.00 0.00 H new ATOM 0 HD11 LEU A 33 12.408 -2.555 9.747 1.00 0.00 H new ATOM 0 HD12 LEU A 33 10.763 -2.083 9.256 1.00 0.00 H new ATOM 0 HD13 LEU A 33 10.998 -3.200 10.622 1.00 0.00 H new ATOM 0 HD21 LEU A 33 13.244 -4.830 9.285 1.00 0.00 H new ATOM 0 HD22 LEU A 33 11.866 -5.563 10.141 1.00 0.00 H new ATOM 0 HD23 LEU A 33 12.211 -6.017 8.455 1.00 0.00 H new ATOM 536 N ARG A 34 7.113 -4.978 6.933 1.00 0.00 N ATOM 537 CA ARG A 34 5.753 -5.505 6.932 1.00 0.00 C ATOM 538 C ARG A 34 5.515 -6.393 5.715 1.00 0.00 C ATOM 539 O ARG A 34 4.988 -7.499 5.834 1.00 0.00 O ATOM 540 CB ARG A 34 4.739 -4.357 6.952 1.00 0.00 C ATOM 541 CG ARG A 34 3.777 -4.415 8.127 1.00 0.00 C ATOM 542 CD ARG A 34 3.039 -5.743 8.182 1.00 0.00 C ATOM 543 NE ARG A 34 1.600 -5.563 8.353 1.00 0.00 N ATOM 544 CZ ARG A 34 0.778 -6.519 8.781 1.00 0.00 C ATOM 545 NH1 ARG A 34 1.249 -7.724 9.082 1.00 0.00 N ATOM 546 NH2 ARG A 34 -0.518 -6.272 8.910 1.00 0.00 N ATOM 0 H ARG A 34 7.178 -3.977 6.748 1.00 0.00 H new ATOM 0 HA ARG A 34 5.622 -6.110 7.829 1.00 0.00 H new ATOM 0 HB2 ARG A 34 5.276 -3.409 6.980 1.00 0.00 H new ATOM 0 HB3 ARG A 34 4.167 -4.372 6.024 1.00 0.00 H new ATOM 0 HG2 ARG A 34 4.327 -4.265 9.056 1.00 0.00 H new ATOM 0 HG3 ARG A 34 3.057 -3.601 8.048 1.00 0.00 H new ATOM 0 HD2 ARG A 34 3.228 -6.301 7.265 1.00 0.00 H new ATOM 0 HD3 ARG A 34 3.430 -6.341 9.005 1.00 0.00 H new ATOM 0 HE ARG A 34 1.201 -4.651 8.131 1.00 0.00 H new ATOM 0 HH11 ARG A 34 2.245 -7.921 8.986 1.00 0.00 H new ATOM 0 HH12 ARG A 34 0.614 -8.452 9.409 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -0.886 -5.349 8.681 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -1.147 -7.005 9.238 1.00 0.00 H new ATOM 560 N LEU A 35 5.908 -5.900 4.544 1.00 0.00 N ATOM 561 CA LEU A 35 5.738 -6.649 3.304 1.00 0.00 C ATOM 562 C LEU A 35 6.645 -7.875 3.279 1.00 0.00 C ATOM 563 O LEU A 35 6.321 -8.886 2.654 1.00 0.00 O ATOM 564 CB LEU A 35 6.039 -5.754 2.099 1.00 0.00 C ATOM 565 CG LEU A 35 5.114 -4.546 1.944 1.00 0.00 C ATOM 566 CD1 LEU A 35 5.745 -3.505 1.033 1.00 0.00 C ATOM 567 CD2 LEU A 35 3.759 -4.980 1.404 1.00 0.00 C ATOM 0 H LEU A 35 6.346 -4.986 4.428 1.00 0.00 H new ATOM 0 HA LEU A 35 4.702 -6.985 3.251 1.00 0.00 H new ATOM 0 HB2 LEU A 35 7.066 -5.398 2.177 1.00 0.00 H new ATOM 0 HB3 LEU A 35 5.979 -6.357 1.193 1.00 0.00 H new ATOM 0 HG LEU A 35 4.965 -4.096 2.926 1.00 0.00 H new ATOM 0 HD11 LEU A 35 5.073 -2.653 0.934 1.00 0.00 H new ATOM 0 HD12 LEU A 35 6.691 -3.173 1.460 1.00 0.00 H new ATOM 0 HD13 LEU A 35 5.924 -3.942 0.050 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.113 -4.108 1.300 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.890 -5.453 0.431 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.303 -5.690 2.094 1.00 0.00 H new ATOM 579 N GLN A 36 7.781 -7.781 3.962 1.00 0.00 N ATOM 580 CA GLN A 36 8.735 -8.884 4.019 1.00 0.00 C ATOM 581 C GLN A 36 8.083 -10.141 4.585 1.00 0.00 C ATOM 582 O GLN A 36 8.453 -11.259 4.227 1.00 0.00 O ATOM 583 CB GLN A 36 9.947 -8.493 4.868 1.00 0.00 C ATOM 584 CG GLN A 36 11.134 -8.014 4.049 1.00 0.00 C ATOM 585 CD GLN A 36 12.245 -9.043 3.974 1.00 0.00 C ATOM 586 OE1 GLN A 36 11.991 -10.238 3.819 1.00 0.00 O ATOM 587 NE2 GLN A 36 13.486 -8.584 4.084 1.00 0.00 N ATOM 0 H GLN A 36 8.064 -6.952 4.484 1.00 0.00 H new ATOM 0 HA GLN A 36 9.067 -9.098 3.003 1.00 0.00 H new ATOM 0 HB2 GLN A 36 9.655 -7.706 5.563 1.00 0.00 H new ATOM 0 HB3 GLN A 36 10.252 -9.351 5.467 1.00 0.00 H new ATOM 0 HG2 GLN A 36 10.800 -7.771 3.040 1.00 0.00 H new ATOM 0 HG3 GLN A 36 11.524 -7.095 4.485 1.00 0.00 H new ATOM 0 HE21 GLN A 36 13.651 -7.586 4.211 1.00 0.00 H new ATOM 0 HE22 GLN A 36 14.274 -9.230 4.041 1.00 0.00 H new ATOM 596 N LYS A 37 7.110 -9.950 5.471 1.00 0.00 N ATOM 597 CA LYS A 37 6.407 -11.070 6.086 1.00 0.00 C ATOM 598 C LYS A 37 5.551 -11.804 5.059 1.00 0.00 C ATOM 599 O LYS A 37 5.422 -13.028 5.103 1.00 0.00 O ATOM 600 CB LYS A 37 5.531 -10.580 7.240 1.00 0.00 C ATOM 601 CG LYS A 37 6.324 -10.089 8.440 1.00 0.00 C ATOM 602 CD LYS A 37 5.635 -10.444 9.749 1.00 0.00 C ATOM 603 CE LYS A 37 6.459 -11.427 10.566 1.00 0.00 C ATOM 604 NZ LYS A 37 5.615 -12.498 11.165 1.00 0.00 N ATOM 0 H LYS A 37 6.791 -9.031 5.779 1.00 0.00 H new ATOM 0 HA LYS A 37 7.152 -11.764 6.475 1.00 0.00 H new ATOM 0 HB2 LYS A 37 4.892 -9.773 6.882 1.00 0.00 H new ATOM 0 HB3 LYS A 37 4.874 -11.390 7.556 1.00 0.00 H new ATOM 0 HG2 LYS A 37 7.321 -10.528 8.422 1.00 0.00 H new ATOM 0 HG3 LYS A 37 6.450 -9.008 8.376 1.00 0.00 H new ATOM 0 HD2 LYS A 37 5.467 -9.537 10.330 1.00 0.00 H new ATOM 0 HD3 LYS A 37 4.656 -10.874 9.540 1.00 0.00 H new ATOM 0 HE2 LYS A 37 7.221 -11.878 9.930 1.00 0.00 H new ATOM 0 HE3 LYS A 37 6.982 -10.891 11.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 6.215 -13.147 11.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 4.904 -12.070 11.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 5.136 -13.026 10.408 1.00 0.00 H new ATOM 618 N ASP A 38 4.966 -11.048 4.135 1.00 0.00 N ATOM 619 CA ASP A 38 4.122 -11.626 3.096 1.00 0.00 C ATOM 620 C ASP A 38 4.966 -12.336 2.042 1.00 0.00 C ATOM 621 O ASP A 38 4.547 -13.343 1.472 1.00 0.00 O ATOM 622 CB ASP A 38 3.271 -10.538 2.437 1.00 0.00 C ATOM 623 CG ASP A 38 2.029 -10.210 3.241 1.00 0.00 C ATOM 624 OD1 ASP A 38 1.399 -11.150 3.769 1.00 0.00 O ATOM 625 OD2 ASP A 38 1.686 -9.014 3.343 1.00 0.00 O ATOM 0 H ASP A 38 5.061 -10.034 4.085 1.00 0.00 H new ATOM 0 HA ASP A 38 3.464 -12.359 3.563 1.00 0.00 H new ATOM 0 HB2 ASP A 38 3.870 -9.636 2.315 1.00 0.00 H new ATOM 0 HB3 ASP A 38 2.979 -10.864 1.439 1.00 0.00 H new ATOM 630 N GLY A 39 6.156 -11.803 1.787 1.00 0.00 N ATOM 631 CA GLY A 39 7.040 -12.397 0.801 1.00 0.00 C ATOM 632 C GLY A 39 7.667 -11.364 -0.115 1.00 0.00 C ATOM 633 O GLY A 39 7.726 -11.556 -1.329 1.00 0.00 O ATOM 0 H GLY A 39 6.524 -10.970 2.246 1.00 0.00 H new ATOM 0 HA2 GLY A 39 7.828 -12.951 1.311 1.00 0.00 H new ATOM 0 HA3 GLY A 39 6.481 -13.116 0.203 1.00 0.00 H new ATOM 637 N LEU A 40 8.136 -10.265 0.469 1.00 0.00 N ATOM 638 CA LEU A 40 8.762 -9.199 -0.302 1.00 0.00 C ATOM 639 C LEU A 40 10.055 -9.682 -0.951 1.00 0.00 C ATOM 640 O LEU A 40 10.751 -10.538 -0.407 1.00 0.00 O ATOM 641 CB LEU A 40 9.048 -7.992 0.593 1.00 0.00 C ATOM 642 CG LEU A 40 9.448 -6.715 -0.148 1.00 0.00 C ATOM 643 CD1 LEU A 40 8.215 -5.995 -0.672 1.00 0.00 C ATOM 644 CD2 LEU A 40 10.255 -5.802 0.764 1.00 0.00 C ATOM 0 H LEU A 40 8.094 -10.091 1.473 1.00 0.00 H new ATOM 0 HA LEU A 40 8.070 -8.902 -1.090 1.00 0.00 H new ATOM 0 HB2 LEU A 40 8.160 -7.784 1.191 1.00 0.00 H new ATOM 0 HB3 LEU A 40 9.845 -8.255 1.288 1.00 0.00 H new ATOM 0 HG LEU A 40 10.072 -6.989 -0.999 1.00 0.00 H new ATOM 0 HD11 LEU A 40 8.518 -5.089 -1.196 1.00 0.00 H new ATOM 0 HD12 LEU A 40 7.676 -6.648 -1.358 1.00 0.00 H new ATOM 0 HD13 LEU A 40 7.566 -5.731 0.163 1.00 0.00 H new ATOM 0 HD21 LEU A 40 10.532 -4.898 0.221 1.00 0.00 H new ATOM 0 HD22 LEU A 40 9.655 -5.534 1.634 1.00 0.00 H new ATOM 0 HD23 LEU A 40 11.157 -6.319 1.091 1.00 0.00 H new ATOM 656 N THR A 41 10.368 -9.128 -2.118 1.00 0.00 N ATOM 657 CA THR A 41 11.577 -9.503 -2.842 1.00 0.00 C ATOM 658 C THR A 41 12.312 -8.268 -3.352 1.00 0.00 C ATOM 659 O THR A 41 11.923 -7.137 -3.060 1.00 0.00 O ATOM 660 CB THR A 41 11.232 -10.425 -4.012 1.00 0.00 C ATOM 661 OG1 THR A 41 10.437 -9.745 -4.967 1.00 0.00 O ATOM 662 CG2 THR A 41 10.482 -11.670 -3.593 1.00 0.00 C ATOM 0 H THR A 41 9.801 -8.418 -2.582 1.00 0.00 H new ATOM 0 HA THR A 41 12.232 -10.034 -2.152 1.00 0.00 H new ATOM 0 HB THR A 41 12.190 -10.725 -4.436 1.00 0.00 H new ATOM 0 HG1 THR A 41 10.228 -10.350 -5.709 1.00 0.00 H new ATOM 0 HG21 THR A 41 10.269 -12.279 -4.471 1.00 0.00 H new ATOM 0 HG22 THR A 41 11.090 -12.243 -2.893 1.00 0.00 H new ATOM 0 HG23 THR A 41 9.546 -11.386 -3.112 1.00 0.00 H new ATOM 670 N GLN A 42 13.377 -8.491 -4.115 1.00 0.00 N ATOM 671 CA GLN A 42 14.166 -7.396 -4.667 1.00 0.00 C ATOM 672 C GLN A 42 13.340 -6.570 -5.646 1.00 0.00 C ATOM 673 O GLN A 42 13.523 -5.358 -5.760 1.00 0.00 O ATOM 674 CB GLN A 42 15.414 -7.941 -5.365 1.00 0.00 C ATOM 675 CG GLN A 42 16.528 -8.328 -4.407 1.00 0.00 C ATOM 676 CD GLN A 42 17.702 -7.370 -4.458 1.00 0.00 C ATOM 677 OE1 GLN A 42 18.850 -7.786 -4.610 1.00 0.00 O ATOM 678 NE2 GLN A 42 17.418 -6.078 -4.330 1.00 0.00 N ATOM 0 H GLN A 42 13.714 -9.421 -4.365 1.00 0.00 H new ATOM 0 HA GLN A 42 14.472 -6.750 -3.844 1.00 0.00 H new ATOM 0 HB2 GLN A 42 15.137 -8.813 -5.958 1.00 0.00 H new ATOM 0 HB3 GLN A 42 15.789 -7.189 -6.060 1.00 0.00 H new ATOM 0 HG2 GLN A 42 16.134 -8.359 -3.391 1.00 0.00 H new ATOM 0 HG3 GLN A 42 16.874 -9.334 -4.646 1.00 0.00 H new ATOM 0 HE21 GLN A 42 16.451 -5.778 -4.206 1.00 0.00 H new ATOM 0 HE22 GLN A 42 18.167 -5.386 -4.356 1.00 0.00 H new ATOM 687 N ALA A 43 12.431 -7.234 -6.353 1.00 0.00 N ATOM 688 CA ALA A 43 11.577 -6.561 -7.324 1.00 0.00 C ATOM 689 C ALA A 43 10.578 -5.640 -6.632 1.00 0.00 C ATOM 690 O ALA A 43 10.228 -4.583 -7.155 1.00 0.00 O ATOM 691 CB ALA A 43 10.848 -7.583 -8.184 1.00 0.00 C ATOM 0 H ALA A 43 12.267 -8.237 -6.271 1.00 0.00 H new ATOM 0 HA ALA A 43 12.211 -5.949 -7.965 1.00 0.00 H new ATOM 0 HB1 ALA A 43 10.214 -7.066 -8.904 1.00 0.00 H new ATOM 0 HB2 ALA A 43 11.576 -8.197 -8.715 1.00 0.00 H new ATOM 0 HB3 ALA A 43 10.232 -8.219 -7.549 1.00 0.00 H new ATOM 697 N ASP A 44 10.122 -6.049 -5.453 1.00 0.00 N ATOM 698 CA ASP A 44 9.163 -5.261 -4.688 1.00 0.00 C ATOM 699 C ASP A 44 9.874 -4.219 -3.831 1.00 0.00 C ATOM 700 O ASP A 44 9.338 -3.141 -3.576 1.00 0.00 O ATOM 701 CB ASP A 44 8.312 -6.174 -3.803 1.00 0.00 C ATOM 702 CG ASP A 44 7.560 -7.219 -4.603 1.00 0.00 C ATOM 703 OD1 ASP A 44 7.969 -7.496 -5.751 1.00 0.00 O ATOM 704 OD2 ASP A 44 6.563 -7.761 -4.083 1.00 0.00 O ATOM 0 H ASP A 44 10.401 -6.922 -5.006 1.00 0.00 H new ATOM 0 HA ASP A 44 8.513 -4.742 -5.392 1.00 0.00 H new ATOM 0 HB2 ASP A 44 8.954 -6.670 -3.075 1.00 0.00 H new ATOM 0 HB3 ASP A 44 7.600 -5.570 -3.241 1.00 0.00 H new ATOM 709 N LYS A 45 11.082 -4.550 -3.388 1.00 0.00 N ATOM 710 CA LYS A 45 11.866 -3.642 -2.559 1.00 0.00 C ATOM 711 C LYS A 45 12.217 -2.369 -3.325 1.00 0.00 C ATOM 712 O LYS A 45 11.785 -1.276 -2.961 1.00 0.00 O ATOM 713 CB LYS A 45 13.144 -4.334 -2.077 1.00 0.00 C ATOM 714 CG LYS A 45 13.131 -4.674 -0.596 1.00 0.00 C ATOM 715 CD LYS A 45 14.448 -4.315 0.072 1.00 0.00 C ATOM 716 CE LYS A 45 14.584 -2.813 0.269 1.00 0.00 C ATOM 717 NZ LYS A 45 15.922 -2.316 -0.153 1.00 0.00 N ATOM 0 H LYS A 45 11.539 -5.439 -3.589 1.00 0.00 H new ATOM 0 HA LYS A 45 11.263 -3.366 -1.694 1.00 0.00 H new ATOM 0 HB2 LYS A 45 13.289 -5.250 -2.650 1.00 0.00 H new ATOM 0 HB3 LYS A 45 13.997 -3.689 -2.285 1.00 0.00 H new ATOM 0 HG2 LYS A 45 12.317 -4.140 -0.107 1.00 0.00 H new ATOM 0 HG3 LYS A 45 12.936 -5.739 -0.468 1.00 0.00 H new ATOM 0 HD2 LYS A 45 14.516 -4.817 1.037 1.00 0.00 H new ATOM 0 HD3 LYS A 45 15.276 -4.679 -0.536 1.00 0.00 H new ATOM 0 HE2 LYS A 45 13.810 -2.301 -0.302 1.00 0.00 H new ATOM 0 HE3 LYS A 45 14.420 -2.568 1.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 15.974 -1.288 -0.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 16.660 -2.786 0.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 16.068 -2.526 -1.161 1.00 0.00 H new ATOM 731 N ASP A 46 13.001 -2.522 -4.387 1.00 0.00 N ATOM 732 CA ASP A 46 13.409 -1.385 -5.205 1.00 0.00 C ATOM 733 C ASP A 46 12.197 -0.691 -5.818 1.00 0.00 C ATOM 734 O ASP A 46 12.207 0.521 -6.034 1.00 0.00 O ATOM 735 CB ASP A 46 14.363 -1.842 -6.310 1.00 0.00 C ATOM 736 CG ASP A 46 15.316 -0.745 -6.742 1.00 0.00 C ATOM 737 OD1 ASP A 46 15.873 -0.061 -5.858 1.00 0.00 O ATOM 738 OD2 ASP A 46 15.506 -0.572 -7.964 1.00 0.00 O ATOM 0 H ASP A 46 13.366 -3.421 -4.701 1.00 0.00 H new ATOM 0 HA ASP A 46 13.924 -0.673 -4.561 1.00 0.00 H new ATOM 0 HB2 ASP A 46 14.936 -2.700 -5.959 1.00 0.00 H new ATOM 0 HB3 ASP A 46 13.784 -2.176 -7.171 1.00 0.00 H new ATOM 743 N ALA A 47 11.156 -1.467 -6.097 1.00 0.00 N ATOM 744 CA ALA A 47 9.937 -0.927 -6.687 1.00 0.00 C ATOM 745 C ALA A 47 9.146 -0.111 -5.669 1.00 0.00 C ATOM 746 O ALA A 47 8.438 0.828 -6.028 1.00 0.00 O ATOM 747 CB ALA A 47 9.079 -2.053 -7.244 1.00 0.00 C ATOM 0 H ALA A 47 11.132 -2.472 -5.924 1.00 0.00 H new ATOM 0 HA ALA A 47 10.222 -0.262 -7.502 1.00 0.00 H new ATOM 0 HB1 ALA A 47 8.172 -1.637 -7.682 1.00 0.00 H new ATOM 0 HB2 ALA A 47 9.637 -2.591 -8.010 1.00 0.00 H new ATOM 0 HB3 ALA A 47 8.812 -2.739 -6.440 1.00 0.00 H new ATOM 753 N LEU A 48 9.273 -0.476 -4.396 1.00 0.00 N ATOM 754 CA LEU A 48 8.569 0.222 -3.325 1.00 0.00 C ATOM 755 C LEU A 48 8.898 1.712 -3.334 1.00 0.00 C ATOM 756 O LEU A 48 8.025 2.551 -3.115 1.00 0.00 O ATOM 757 CB LEU A 48 8.933 -0.384 -1.969 1.00 0.00 C ATOM 758 CG LEU A 48 8.187 0.213 -0.773 1.00 0.00 C ATOM 759 CD1 LEU A 48 6.922 -0.580 -0.485 1.00 0.00 C ATOM 760 CD2 LEU A 48 9.088 0.247 0.452 1.00 0.00 C ATOM 0 H LEU A 48 9.857 -1.251 -4.081 1.00 0.00 H new ATOM 0 HA LEU A 48 7.498 0.105 -3.493 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.737 -1.456 -2.002 1.00 0.00 H new ATOM 0 HB3 LEU A 48 10.004 -0.261 -1.808 1.00 0.00 H new ATOM 0 HG LEU A 48 7.902 1.236 -1.019 1.00 0.00 H new ATOM 0 HD11 LEU A 48 6.404 -0.142 0.368 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.270 -0.554 -1.358 1.00 0.00 H new ATOM 0 HD13 LEU A 48 7.184 -1.614 -0.259 1.00 0.00 H new ATOM 0 HD21 LEU A 48 8.542 0.674 1.293 1.00 0.00 H new ATOM 0 HD22 LEU A 48 9.402 -0.767 0.701 1.00 0.00 H new ATOM 0 HD23 LEU A 48 9.966 0.858 0.241 1.00 0.00 H new ATOM 772 N ASP A 49 10.163 2.033 -3.585 1.00 0.00 N ATOM 773 CA ASP A 49 10.607 3.421 -3.622 1.00 0.00 C ATOM 774 C ASP A 49 9.899 4.191 -4.733 1.00 0.00 C ATOM 775 O ASP A 49 9.468 5.328 -4.537 1.00 0.00 O ATOM 776 CB ASP A 49 12.121 3.489 -3.823 1.00 0.00 C ATOM 777 CG ASP A 49 12.735 4.717 -3.177 1.00 0.00 C ATOM 778 OD1 ASP A 49 12.078 5.778 -3.174 1.00 0.00 O ATOM 779 OD2 ASP A 49 13.875 4.615 -2.675 1.00 0.00 O ATOM 0 H ASP A 49 10.899 1.350 -3.766 1.00 0.00 H new ATOM 0 HA ASP A 49 10.353 3.882 -2.668 1.00 0.00 H new ATOM 0 HB2 ASP A 49 12.581 2.593 -3.405 1.00 0.00 H new ATOM 0 HB3 ASP A 49 12.343 3.493 -4.890 1.00 0.00 H new ATOM 784 N GLY A 50 9.784 3.564 -5.899 1.00 0.00 N ATOM 785 CA GLY A 50 9.129 4.206 -7.024 1.00 0.00 C ATOM 786 C GLY A 50 7.618 4.115 -6.946 1.00 0.00 C ATOM 787 O GLY A 50 6.909 4.964 -7.487 1.00 0.00 O ATOM 0 H GLY A 50 10.132 2.624 -6.085 1.00 0.00 H new ATOM 0 HA2 GLY A 50 9.425 5.254 -7.062 1.00 0.00 H new ATOM 0 HA3 GLY A 50 9.470 3.744 -7.951 1.00 0.00 H new ATOM 791 N LEU A 51 7.120 3.082 -6.273 1.00 0.00 N ATOM 792 CA LEU A 51 5.682 2.884 -6.130 1.00 0.00 C ATOM 793 C LEU A 51 5.106 3.820 -5.072 1.00 0.00 C ATOM 794 O LEU A 51 4.042 4.409 -5.265 1.00 0.00 O ATOM 795 CB LEU A 51 5.380 1.431 -5.761 1.00 0.00 C ATOM 796 CG LEU A 51 4.081 0.871 -6.350 1.00 0.00 C ATOM 797 CD1 LEU A 51 4.365 -0.349 -7.214 1.00 0.00 C ATOM 798 CD2 LEU A 51 3.097 0.521 -5.241 1.00 0.00 C ATOM 0 H LEU A 51 7.691 2.370 -5.818 1.00 0.00 H new ATOM 0 HA LEU A 51 5.212 3.114 -7.086 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.210 0.807 -6.092 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.334 1.350 -4.675 1.00 0.00 H new ATOM 0 HG LEU A 51 3.632 1.640 -6.979 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.430 -0.731 -7.623 1.00 0.00 H new ATOM 0 HD12 LEU A 51 5.030 -0.069 -8.031 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.839 -1.121 -6.608 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.181 0.125 -5.679 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.539 -0.229 -4.585 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.866 1.416 -4.664 1.00 0.00 H new ATOM 810 N LEU A 52 5.815 3.954 -3.955 1.00 0.00 N ATOM 811 CA LEU A 52 5.372 4.820 -2.866 1.00 0.00 C ATOM 812 C LEU A 52 5.147 6.245 -3.361 1.00 0.00 C ATOM 813 O LEU A 52 4.131 6.866 -3.051 1.00 0.00 O ATOM 814 CB LEU A 52 6.402 4.818 -1.735 1.00 0.00 C ATOM 815 CG LEU A 52 6.343 3.602 -0.809 1.00 0.00 C ATOM 816 CD1 LEU A 52 7.480 3.647 0.201 1.00 0.00 C ATOM 817 CD2 LEU A 52 4.999 3.539 -0.098 1.00 0.00 C ATOM 0 H LEU A 52 6.698 3.475 -3.780 1.00 0.00 H new ATOM 0 HA LEU A 52 4.426 4.432 -2.488 1.00 0.00 H new ATOM 0 HB2 LEU A 52 7.399 4.875 -2.172 1.00 0.00 H new ATOM 0 HB3 LEU A 52 6.264 5.719 -1.137 1.00 0.00 H new ATOM 0 HG LEU A 52 6.455 2.702 -1.413 1.00 0.00 H new ATOM 0 HD11 LEU A 52 7.423 2.775 0.852 1.00 0.00 H new ATOM 0 HD12 LEU A 52 8.434 3.645 -0.325 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.398 4.553 0.801 1.00 0.00 H new ATOM 0 HD21 LEU A 52 4.974 2.668 0.557 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.858 4.443 0.495 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.200 3.461 -0.836 1.00 0.00 H new ATOM 829 N GLN A 53 6.100 6.756 -4.132 1.00 0.00 N ATOM 830 CA GLN A 53 6.005 8.108 -4.670 1.00 0.00 C ATOM 831 C GLN A 53 4.804 8.241 -5.605 1.00 0.00 C ATOM 832 O GLN A 53 4.302 9.343 -5.830 1.00 0.00 O ATOM 833 CB GLN A 53 7.288 8.472 -5.417 1.00 0.00 C ATOM 834 CG GLN A 53 8.519 8.515 -4.526 1.00 0.00 C ATOM 835 CD GLN A 53 9.418 9.697 -4.830 1.00 0.00 C ATOM 836 OE1 GLN A 53 9.947 9.821 -5.935 1.00 0.00 O ATOM 837 NE2 GLN A 53 9.598 10.573 -3.848 1.00 0.00 N ATOM 0 H GLN A 53 6.947 6.255 -4.399 1.00 0.00 H new ATOM 0 HA GLN A 53 5.870 8.795 -3.835 1.00 0.00 H new ATOM 0 HB2 GLN A 53 7.452 7.748 -6.215 1.00 0.00 H new ATOM 0 HB3 GLN A 53 7.159 9.445 -5.891 1.00 0.00 H new ATOM 0 HG2 GLN A 53 8.206 8.560 -3.483 1.00 0.00 H new ATOM 0 HG3 GLN A 53 9.085 7.592 -4.650 1.00 0.00 H new ATOM 0 HE21 GLN A 53 9.140 10.431 -2.948 1.00 0.00 H new ATOM 0 HE22 GLN A 53 10.194 11.388 -3.994 1.00 0.00 H new ATOM 846 N GLN A 54 4.348 7.115 -6.147 1.00 0.00 N ATOM 847 CA GLN A 54 3.209 7.112 -7.056 1.00 0.00 C ATOM 848 C GLN A 54 1.893 7.017 -6.289 1.00 0.00 C ATOM 849 O GLN A 54 1.031 7.887 -6.408 1.00 0.00 O ATOM 850 CB GLN A 54 3.325 5.949 -8.045 1.00 0.00 C ATOM 851 CG GLN A 54 3.051 6.347 -9.487 1.00 0.00 C ATOM 852 CD GLN A 54 1.615 6.090 -9.900 1.00 0.00 C ATOM 853 OE1 GLN A 54 0.891 5.343 -9.241 1.00 0.00 O ATOM 854 NE2 GLN A 54 1.195 6.709 -10.997 1.00 0.00 N ATOM 0 H GLN A 54 4.750 6.194 -5.972 1.00 0.00 H new ATOM 0 HA GLN A 54 3.215 8.052 -7.607 1.00 0.00 H new ATOM 0 HB2 GLN A 54 4.327 5.525 -7.978 1.00 0.00 H new ATOM 0 HB3 GLN A 54 2.626 5.165 -7.754 1.00 0.00 H new ATOM 0 HG2 GLN A 54 3.279 7.405 -9.618 1.00 0.00 H new ATOM 0 HG3 GLN A 54 3.719 5.793 -10.146 1.00 0.00 H new ATOM 0 HE21 GLN A 54 1.829 7.319 -11.513 1.00 0.00 H new ATOM 0 HE22 GLN A 54 0.238 6.574 -11.324 1.00 0.00 H new ATOM 863 N VAL A 55 1.745 5.954 -5.505 1.00 0.00 N ATOM 864 CA VAL A 55 0.531 5.746 -4.722 1.00 0.00 C ATOM 865 C VAL A 55 0.712 6.221 -3.283 1.00 0.00 C ATOM 866 O VAL A 55 0.087 5.695 -2.362 1.00 0.00 O ATOM 867 CB VAL A 55 0.115 4.263 -4.712 1.00 0.00 C ATOM 868 CG1 VAL A 55 -0.219 3.793 -6.120 1.00 0.00 C ATOM 869 CG2 VAL A 55 1.210 3.401 -4.102 1.00 0.00 C ATOM 0 H VAL A 55 2.449 5.224 -5.395 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.254 6.333 -5.198 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.779 4.162 -4.096 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.511 2.743 -6.094 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -1.041 4.388 -6.517 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.656 3.911 -6.760 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.895 2.357 -4.105 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.124 3.506 -4.687 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.396 3.721 -3.077 1.00 0.00 H new ATOM 879 N ALA A 56 1.571 7.219 -3.096 1.00 0.00 N ATOM 880 CA ALA A 56 1.831 7.763 -1.769 1.00 0.00 C ATOM 881 C ALA A 56 2.723 8.997 -1.848 1.00 0.00 C ATOM 882 O ALA A 56 3.196 9.366 -2.923 1.00 0.00 O ATOM 883 CB ALA A 56 2.467 6.706 -0.879 1.00 0.00 C ATOM 0 H ALA A 56 2.098 7.666 -3.846 1.00 0.00 H new ATOM 0 HA ALA A 56 0.878 8.062 -1.333 1.00 0.00 H new ATOM 0 HB1 ALA A 56 2.655 7.127 0.109 1.00 0.00 H new ATOM 0 HB2 ALA A 56 1.793 5.854 -0.788 1.00 0.00 H new ATOM 0 HB3 ALA A 56 3.409 6.378 -1.319 1.00 0.00 H new ATOM 889 N ASN A 57 2.949 9.633 -0.702 1.00 0.00 N ATOM 890 CA ASN A 57 3.785 10.826 -0.644 1.00 0.00 C ATOM 891 C ASN A 57 4.682 10.801 0.590 1.00 0.00 C ATOM 892 O ASN A 57 4.208 10.622 1.712 1.00 0.00 O ATOM 893 CB ASN A 57 2.915 12.084 -0.630 1.00 0.00 C ATOM 894 CG ASN A 57 2.281 12.363 -1.978 1.00 0.00 C ATOM 895 OD1 ASN A 57 2.820 13.119 -2.786 1.00 0.00 O ATOM 896 ND2 ASN A 57 1.129 11.752 -2.229 1.00 0.00 N ATOM 0 H ASN A 57 2.565 9.342 0.197 1.00 0.00 H new ATOM 0 HA ASN A 57 4.417 10.840 -1.532 1.00 0.00 H new ATOM 0 HB2 ASN A 57 2.132 11.973 0.121 1.00 0.00 H new ATOM 0 HB3 ASN A 57 3.522 12.939 -0.333 1.00 0.00 H new ATOM 0 HD21 ASN A 57 0.656 11.902 -3.120 1.00 0.00 H new ATOM 0 HD22 ASN A 57 0.717 11.133 -1.531 1.00 0.00 H new ATOM 903 N MET A 58 5.981 10.983 0.375 1.00 0.00 N ATOM 904 CA MET A 58 6.945 10.983 1.469 1.00 0.00 C ATOM 905 C MET A 58 6.969 12.335 2.174 1.00 0.00 C ATOM 906 O MET A 58 6.978 13.382 1.527 1.00 0.00 O ATOM 907 CB MET A 58 8.342 10.641 0.946 1.00 0.00 C ATOM 908 CG MET A 58 9.151 9.770 1.892 1.00 0.00 C ATOM 909 SD MET A 58 10.549 8.974 1.080 1.00 0.00 S ATOM 910 CE MET A 58 9.703 7.835 -0.013 1.00 0.00 C ATOM 0 H MET A 58 6.390 11.132 -0.547 1.00 0.00 H new ATOM 0 HA MET A 58 6.639 10.224 2.189 1.00 0.00 H new ATOM 0 HB2 MET A 58 8.247 10.130 -0.012 1.00 0.00 H new ATOM 0 HB3 MET A 58 8.888 11.566 0.761 1.00 0.00 H new ATOM 0 HG2 MET A 58 9.515 10.380 2.719 1.00 0.00 H new ATOM 0 HG3 MET A 58 8.502 9.006 2.321 1.00 0.00 H new ATOM 0 HE1 MET A 58 10.372 7.014 -0.271 1.00 0.00 H new ATOM 0 HE2 MET A 58 8.819 7.440 0.487 1.00 0.00 H new ATOM 0 HE3 MET A 58 9.403 8.357 -0.922 1.00 0.00 H new ATOM 920 N SER A 59 6.980 12.305 3.503 1.00 0.00 N ATOM 921 CA SER A 59 7.003 13.529 4.294 1.00 0.00 C ATOM 922 C SER A 59 8.426 14.062 4.431 1.00 0.00 C ATOM 923 O SER A 59 9.391 13.383 4.078 1.00 0.00 O ATOM 924 CB SER A 59 6.405 13.277 5.679 1.00 0.00 C ATOM 925 OG SER A 59 5.641 14.387 6.116 1.00 0.00 O ATOM 0 H SER A 59 6.973 11.447 4.054 1.00 0.00 H new ATOM 0 HA SER A 59 6.402 14.277 3.777 1.00 0.00 H new ATOM 0 HB2 SER A 59 5.776 12.388 5.650 1.00 0.00 H new ATOM 0 HB3 SER A 59 7.205 13.079 6.393 1.00 0.00 H new ATOM 0 HG SER A 59 5.269 14.199 7.003 1.00 0.00 H new ATOM 931 N ALA A 60 8.549 15.282 4.946 1.00 0.00 N ATOM 932 CA ALA A 60 9.854 15.905 5.130 1.00 0.00 C ATOM 933 C ALA A 60 10.158 16.118 6.609 1.00 0.00 C ATOM 934 O ALA A 60 10.803 17.096 6.985 1.00 0.00 O ATOM 935 CB ALA A 60 9.915 17.228 4.381 1.00 0.00 C ATOM 0 H ALA A 60 7.761 15.858 5.243 1.00 0.00 H new ATOM 0 HA ALA A 60 10.611 15.234 4.724 1.00 0.00 H new ATOM 0 HB1 ALA A 60 10.895 17.684 4.526 1.00 0.00 H new ATOM 0 HB2 ALA A 60 9.751 17.052 3.318 1.00 0.00 H new ATOM 0 HB3 ALA A 60 9.144 17.897 4.762 1.00 0.00 H new ATOM 941 N LYS A 61 9.690 15.196 7.443 1.00 0.00 N ATOM 942 CA LYS A 61 9.912 15.283 8.881 1.00 0.00 C ATOM 943 C LYS A 61 10.872 14.192 9.350 1.00 0.00 C ATOM 944 O LYS A 61 11.654 14.397 10.278 1.00 0.00 O ATOM 945 CB LYS A 61 8.584 15.166 9.632 1.00 0.00 C ATOM 946 CG LYS A 61 7.911 16.505 9.889 1.00 0.00 C ATOM 947 CD LYS A 61 7.093 16.481 11.170 1.00 0.00 C ATOM 948 CE LYS A 61 5.614 16.279 10.882 1.00 0.00 C ATOM 949 NZ LYS A 61 4.961 15.414 11.904 1.00 0.00 N ATOM 0 H LYS A 61 9.154 14.380 7.148 1.00 0.00 H new ATOM 0 HA LYS A 61 10.359 16.254 9.096 1.00 0.00 H new ATOM 0 HB2 LYS A 61 7.907 14.532 9.059 1.00 0.00 H new ATOM 0 HB3 LYS A 61 8.758 14.667 10.585 1.00 0.00 H new ATOM 0 HG2 LYS A 61 8.668 17.287 9.954 1.00 0.00 H new ATOM 0 HG3 LYS A 61 7.265 16.756 9.048 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.452 15.680 11.817 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.235 17.416 11.711 1.00 0.00 H new ATOM 0 HE2 LYS A 61 5.114 17.247 10.854 1.00 0.00 H new ATOM 0 HE3 LYS A 61 5.494 15.829 9.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 3.954 15.301 11.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.421 14.481 11.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 5.052 15.855 12.841 1.00 0.00 H new ATOM 963 N ASP A 62 10.805 13.035 8.701 1.00 0.00 N ATOM 964 CA ASP A 62 11.668 11.912 9.051 1.00 0.00 C ATOM 965 C ASP A 62 11.768 10.922 7.895 1.00 0.00 C ATOM 966 O ASP A 62 12.863 10.513 7.508 1.00 0.00 O ATOM 967 CB ASP A 62 11.138 11.205 10.300 1.00 0.00 C ATOM 968 CG ASP A 62 11.754 11.746 11.575 1.00 0.00 C ATOM 969 OD1 ASP A 62 12.860 11.297 11.939 1.00 0.00 O ATOM 970 OD2 ASP A 62 11.127 12.620 12.212 1.00 0.00 O ATOM 0 H ASP A 62 10.163 12.850 7.930 1.00 0.00 H new ATOM 0 HA ASP A 62 12.665 12.302 9.258 1.00 0.00 H new ATOM 0 HB2 ASP A 62 10.055 11.318 10.346 1.00 0.00 H new ATOM 0 HB3 ASP A 62 11.344 10.137 10.225 1.00 0.00 H new ATOM 975 N GLY A 63 10.618 10.541 7.348 1.00 0.00 N ATOM 976 CA GLY A 63 10.599 9.602 6.241 1.00 0.00 C ATOM 977 C GLY A 63 9.361 8.727 6.244 1.00 0.00 C ATOM 978 O GLY A 63 9.448 7.515 6.044 1.00 0.00 O ATOM 0 H GLY A 63 9.700 10.865 7.651 1.00 0.00 H new ATOM 0 HA2 GLY A 63 10.649 10.152 5.301 1.00 0.00 H new ATOM 0 HA3 GLY A 63 11.486 8.971 6.289 1.00 0.00 H new ATOM 982 N THR A 64 8.205 9.341 6.470 1.00 0.00 N ATOM 983 CA THR A 64 6.943 8.611 6.497 1.00 0.00 C ATOM 984 C THR A 64 6.123 8.895 5.243 1.00 0.00 C ATOM 985 O THR A 64 6.046 10.035 4.784 1.00 0.00 O ATOM 986 CB THR A 64 6.138 8.987 7.742 1.00 0.00 C ATOM 987 OG1 THR A 64 6.996 9.427 8.779 1.00 0.00 O ATOM 988 CG2 THR A 64 5.309 7.843 8.286 1.00 0.00 C ATOM 0 H THR A 64 8.116 10.343 6.637 1.00 0.00 H new ATOM 0 HA THR A 64 7.170 7.545 6.528 1.00 0.00 H new ATOM 0 HB THR A 64 5.465 9.782 7.422 1.00 0.00 H new ATOM 0 HG1 THR A 64 6.463 9.665 9.566 1.00 0.00 H new ATOM 0 HG21 THR A 64 4.763 8.177 9.168 1.00 0.00 H new ATOM 0 HG22 THR A 64 4.602 7.512 7.525 1.00 0.00 H new ATOM 0 HG23 THR A 64 5.964 7.015 8.557 1.00 0.00 H new ATOM 996 N CYS A 65 5.512 7.852 4.692 1.00 0.00 N ATOM 997 CA CYS A 65 4.698 7.988 3.491 1.00 0.00 C ATOM 998 C CYS A 65 3.216 8.073 3.844 1.00 0.00 C ATOM 999 O CYS A 65 2.765 7.470 4.818 1.00 0.00 O ATOM 1000 CB CYS A 65 4.946 6.810 2.545 1.00 0.00 C ATOM 1001 SG CYS A 65 5.514 7.293 0.898 1.00 0.00 S ATOM 0 H CYS A 65 5.566 6.902 5.059 1.00 0.00 H new ATOM 0 HA CYS A 65 4.985 8.912 2.990 1.00 0.00 H new ATOM 0 HB2 CYS A 65 5.687 6.148 2.993 1.00 0.00 H new ATOM 0 HB3 CYS A 65 4.024 6.237 2.446 1.00 0.00 H new ATOM 0 HG CYS A 65 6.681 6.767 0.670 1.00 0.00 H new ATOM 1007 N THR A 66 2.465 8.826 3.047 1.00 0.00 N ATOM 1008 CA THR A 66 1.035 8.991 3.276 1.00 0.00 C ATOM 1009 C THR A 66 0.250 8.779 1.985 1.00 0.00 C ATOM 1010 O THR A 66 0.547 9.390 0.959 1.00 0.00 O ATOM 1011 CB THR A 66 0.743 10.382 3.841 1.00 0.00 C ATOM 1012 OG1 THR A 66 1.709 11.316 3.395 1.00 0.00 O ATOM 1013 CG2 THR A 66 0.730 10.422 5.354 1.00 0.00 C ATOM 0 H THR A 66 2.823 9.332 2.237 1.00 0.00 H new ATOM 0 HA THR A 66 0.720 8.240 4.000 1.00 0.00 H new ATOM 0 HB THR A 66 -0.252 10.639 3.478 1.00 0.00 H new ATOM 0 HG1 THR A 66 1.505 12.200 3.765 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.517 11.437 5.689 1.00 0.00 H new ATOM 0 HG22 THR A 66 -0.039 9.747 5.729 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.703 10.111 5.735 1.00 0.00 H new ATOM 1021 N LEU A 67 -0.754 7.910 2.045 1.00 0.00 N ATOM 1022 CA LEU A 67 -1.582 7.619 0.879 1.00 0.00 C ATOM 1023 C LEU A 67 -2.303 8.874 0.399 1.00 0.00 C ATOM 1024 O LEU A 67 -2.647 9.748 1.195 1.00 0.00 O ATOM 1025 CB LEU A 67 -2.600 6.526 1.210 1.00 0.00 C ATOM 1026 CG LEU A 67 -3.234 5.843 -0.004 1.00 0.00 C ATOM 1027 CD1 LEU A 67 -2.241 4.898 -0.664 1.00 0.00 C ATOM 1028 CD2 LEU A 67 -4.494 5.096 0.405 1.00 0.00 C ATOM 0 H LEU A 67 -1.014 7.396 2.887 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.930 7.267 0.079 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.110 5.767 1.820 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.393 6.961 1.818 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.509 6.610 -0.728 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.709 4.421 -1.525 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.366 5.460 -0.991 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.935 4.134 0.051 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.933 4.616 -0.470 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.243 4.338 1.147 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -5.211 5.798 0.831 1.00 0.00 H new ATOM 1040 N GLN A 68 -2.529 8.957 -0.908 1.00 0.00 N ATOM 1041 CA GLN A 68 -3.208 10.107 -1.495 1.00 0.00 C ATOM 1042 C GLN A 68 -4.701 10.077 -1.179 1.00 0.00 C ATOM 1043 O GLN A 68 -5.207 9.106 -0.617 1.00 0.00 O ATOM 1044 CB GLN A 68 -2.996 10.131 -3.009 1.00 0.00 C ATOM 1045 CG GLN A 68 -1.561 9.854 -3.428 1.00 0.00 C ATOM 1046 CD GLN A 68 -1.197 10.519 -4.740 1.00 0.00 C ATOM 1047 OE1 GLN A 68 -2.054 11.074 -5.428 1.00 0.00 O ATOM 1048 NE2 GLN A 68 0.081 10.464 -5.096 1.00 0.00 N ATOM 0 H GLN A 68 -2.252 8.242 -1.581 1.00 0.00 H new ATOM 0 HA GLN A 68 -2.781 11.011 -1.061 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -3.650 9.391 -3.471 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -3.296 11.106 -3.394 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -0.885 10.204 -2.648 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -1.414 8.778 -3.518 1.00 0.00 H new ATOM 0 HE21 GLN A 68 0.758 9.994 -4.495 1.00 0.00 H new ATOM 0 HE22 GLN A 68 0.386 10.892 -5.970 1.00 0.00 H new ATOM 1057 N ASP A 69 -5.398 11.148 -1.543 1.00 0.00 N ATOM 1058 CA ASP A 69 -6.832 11.246 -1.299 1.00 0.00 C ATOM 1059 C ASP A 69 -7.620 10.528 -2.391 1.00 0.00 C ATOM 1060 O ASP A 69 -8.534 9.754 -2.104 1.00 0.00 O ATOM 1061 CB ASP A 69 -7.258 12.715 -1.224 1.00 0.00 C ATOM 1062 CG ASP A 69 -7.886 13.067 0.110 1.00 0.00 C ATOM 1063 OD1 ASP A 69 -9.030 12.636 0.361 1.00 0.00 O ATOM 1064 OD2 ASP A 69 -7.233 13.776 0.906 1.00 0.00 O ATOM 0 H ASP A 69 -4.993 11.960 -2.008 1.00 0.00 H new ATOM 0 HA ASP A 69 -7.048 10.764 -0.346 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -6.389 13.351 -1.393 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -7.968 12.926 -2.024 1.00 0.00 H new ATOM 1069 N CYS A 70 -7.259 10.789 -3.643 1.00 0.00 N ATOM 1070 CA CYS A 70 -7.932 10.168 -4.778 1.00 0.00 C ATOM 1071 C CYS A 70 -7.571 8.690 -4.883 1.00 0.00 C ATOM 1072 O CYS A 70 -8.372 7.876 -5.341 1.00 0.00 O ATOM 1073 CB CYS A 70 -7.561 10.891 -6.075 1.00 0.00 C ATOM 1074 SG CYS A 70 -8.950 11.135 -7.206 1.00 0.00 S ATOM 0 H CYS A 70 -6.504 11.426 -3.897 1.00 0.00 H new ATOM 0 HA CYS A 70 -9.007 10.249 -4.620 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -7.133 11.862 -5.827 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -6.785 10.322 -6.587 1.00 0.00 H new ATOM 0 HG CYS A 70 -8.538 11.756 -8.271 1.00 0.00 H new ATOM 1080 N MET A 71 -6.358 8.350 -4.457 1.00 0.00 N ATOM 1081 CA MET A 71 -5.890 6.969 -4.503 1.00 0.00 C ATOM 1082 C MET A 71 -6.794 6.058 -3.679 1.00 0.00 C ATOM 1083 O MET A 71 -6.899 4.862 -3.951 1.00 0.00 O ATOM 1084 CB MET A 71 -4.452 6.879 -3.990 1.00 0.00 C ATOM 1085 CG MET A 71 -3.418 7.378 -4.987 1.00 0.00 C ATOM 1086 SD MET A 71 -3.433 6.444 -6.528 1.00 0.00 S ATOM 1087 CE MET A 71 -3.423 4.764 -5.908 1.00 0.00 C ATOM 0 H MET A 71 -5.682 9.012 -4.076 1.00 0.00 H new ATOM 0 HA MET A 71 -5.921 6.637 -5.541 1.00 0.00 H new ATOM 0 HB2 MET A 71 -4.366 7.457 -3.070 1.00 0.00 H new ATOM 0 HB3 MET A 71 -4.230 5.842 -3.737 1.00 0.00 H new ATOM 0 HG2 MET A 71 -3.605 8.430 -5.202 1.00 0.00 H new ATOM 0 HG3 MET A 71 -2.427 7.316 -4.538 1.00 0.00 H new ATOM 0 HE1 MET A 71 -3.199 4.076 -6.724 1.00 0.00 H new ATOM 0 HE2 MET A 71 -2.663 4.667 -5.133 1.00 0.00 H new ATOM 0 HE3 MET A 71 -4.401 4.525 -5.490 1.00 0.00 H new ATOM 1097 N TYR A 72 -7.446 6.629 -2.670 1.00 0.00 N ATOM 1098 CA TYR A 72 -8.340 5.865 -1.805 1.00 0.00 C ATOM 1099 C TYR A 72 -9.429 5.173 -2.620 1.00 0.00 C ATOM 1100 O TYR A 72 -9.907 4.100 -2.252 1.00 0.00 O ATOM 1101 CB TYR A 72 -8.976 6.782 -0.758 1.00 0.00 C ATOM 1102 CG TYR A 72 -8.175 6.888 0.520 1.00 0.00 C ATOM 1103 CD1 TYR A 72 -8.218 5.882 1.475 1.00 0.00 C ATOM 1104 CD2 TYR A 72 -7.376 7.997 0.770 1.00 0.00 C ATOM 1105 CE1 TYR A 72 -7.487 5.976 2.645 1.00 0.00 C ATOM 1106 CE2 TYR A 72 -6.642 8.099 1.936 1.00 0.00 C ATOM 1107 CZ TYR A 72 -6.702 7.086 2.870 1.00 0.00 C ATOM 1108 OH TYR A 72 -5.972 7.184 4.033 1.00 0.00 O ATOM 0 H TYR A 72 -7.372 7.618 -2.431 1.00 0.00 H new ATOM 0 HA TYR A 72 -7.750 5.101 -1.300 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -9.097 7.778 -1.185 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -9.974 6.413 -0.522 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -8.833 5.011 1.301 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -7.328 8.792 0.041 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -7.531 5.184 3.378 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -6.025 8.967 2.115 1.00 0.00 H new ATOM 0 HH TYR A 72 -5.943 6.310 4.476 1.00 0.00 H new ATOM 1118 N LYS A 73 -9.817 5.796 -3.729 1.00 0.00 N ATOM 1119 CA LYS A 73 -10.850 5.239 -4.596 1.00 0.00 C ATOM 1120 C LYS A 73 -10.410 3.897 -5.173 1.00 0.00 C ATOM 1121 O LYS A 73 -11.231 3.009 -5.400 1.00 0.00 O ATOM 1122 CB LYS A 73 -11.174 6.213 -5.729 1.00 0.00 C ATOM 1123 CG LYS A 73 -11.889 7.471 -5.264 1.00 0.00 C ATOM 1124 CD LYS A 73 -13.398 7.327 -5.375 1.00 0.00 C ATOM 1125 CE LYS A 73 -14.051 8.628 -5.810 1.00 0.00 C ATOM 1126 NZ LYS A 73 -15.376 8.399 -6.449 1.00 0.00 N ATOM 0 H LYS A 73 -9.432 6.685 -4.048 1.00 0.00 H new ATOM 0 HA LYS A 73 -11.746 5.080 -3.996 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -10.248 6.496 -6.230 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -11.794 5.705 -6.468 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -11.618 7.684 -4.230 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -11.559 8.321 -5.862 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -13.638 6.541 -6.091 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -13.807 7.017 -4.413 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -14.173 9.280 -4.945 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -13.396 9.147 -6.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -15.788 9.311 -6.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -15.257 7.798 -7.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -16.010 7.927 -5.773 1.00 0.00 H new ATOM 1140 N ASP A 74 -9.109 3.758 -5.407 1.00 0.00 N ATOM 1141 CA ASP A 74 -8.558 2.525 -5.957 1.00 0.00 C ATOM 1142 C ASP A 74 -8.691 1.376 -4.963 1.00 0.00 C ATOM 1143 O ASP A 74 -8.796 0.213 -5.354 1.00 0.00 O ATOM 1144 CB ASP A 74 -7.089 2.721 -6.334 1.00 0.00 C ATOM 1145 CG ASP A 74 -6.922 3.402 -7.678 1.00 0.00 C ATOM 1146 OD1 ASP A 74 -6.893 4.650 -7.712 1.00 0.00 O ATOM 1147 OD2 ASP A 74 -6.820 2.687 -8.697 1.00 0.00 O ATOM 0 H ASP A 74 -8.417 4.484 -5.224 1.00 0.00 H new ATOM 0 HA ASP A 74 -9.125 2.273 -6.853 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -6.596 3.316 -5.565 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -6.590 1.752 -6.356 1.00 0.00 H new ATOM 1152 N VAL A 75 -8.685 1.708 -3.676 1.00 0.00 N ATOM 1153 CA VAL A 75 -8.805 0.703 -2.626 1.00 0.00 C ATOM 1154 C VAL A 75 -10.098 -0.093 -2.772 1.00 0.00 C ATOM 1155 O VAL A 75 -11.168 0.475 -2.988 1.00 0.00 O ATOM 1156 CB VAL A 75 -8.766 1.345 -1.226 1.00 0.00 C ATOM 1157 CG1 VAL A 75 -8.735 0.273 -0.145 1.00 0.00 C ATOM 1158 CG2 VAL A 75 -7.568 2.276 -1.097 1.00 0.00 C ATOM 0 H VAL A 75 -8.598 2.665 -3.335 1.00 0.00 H new ATOM 0 HA VAL A 75 -7.953 0.031 -2.733 1.00 0.00 H new ATOM 0 HB VAL A 75 -9.673 1.936 -1.094 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -8.708 0.747 0.836 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -9.627 -0.349 -0.223 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -7.848 -0.347 -0.273 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.558 2.720 -0.102 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -6.649 1.710 -1.252 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -7.638 3.065 -1.845 1.00 0.00 H new ATOM 1168 N GLN A 76 -9.991 -1.413 -2.652 1.00 0.00 N ATOM 1169 CA GLN A 76 -11.152 -2.287 -2.770 1.00 0.00 C ATOM 1170 C GLN A 76 -11.920 -2.353 -1.454 1.00 0.00 C ATOM 1171 O GLN A 76 -11.449 -1.872 -0.424 1.00 0.00 O ATOM 1172 CB GLN A 76 -10.717 -3.693 -3.191 1.00 0.00 C ATOM 1173 CG GLN A 76 -9.889 -3.717 -4.465 1.00 0.00 C ATOM 1174 CD GLN A 76 -8.978 -4.926 -4.545 1.00 0.00 C ATOM 1175 OE1 GLN A 76 -7.809 -4.814 -4.914 1.00 0.00 O ATOM 1176 NE2 GLN A 76 -9.510 -6.092 -4.198 1.00 0.00 N ATOM 0 H GLN A 76 -9.113 -1.900 -2.473 1.00 0.00 H new ATOM 0 HA GLN A 76 -11.811 -1.873 -3.534 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -10.139 -4.143 -2.383 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -11.603 -4.312 -3.332 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -10.556 -3.711 -5.327 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -9.288 -2.809 -4.521 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -10.484 -6.139 -3.898 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -8.945 -6.941 -4.231 1.00 0.00 H new ATOM 1185 N LYS A 77 -13.107 -2.952 -1.497 1.00 0.00 N ATOM 1186 CA LYS A 77 -13.941 -3.081 -0.308 1.00 0.00 C ATOM 1187 C LYS A 77 -14.104 -4.545 0.086 1.00 0.00 C ATOM 1188 O LYS A 77 -15.133 -4.940 0.633 1.00 0.00 O ATOM 1189 CB LYS A 77 -15.314 -2.452 -0.553 1.00 0.00 C ATOM 1190 CG LYS A 77 -15.292 -0.933 -0.582 1.00 0.00 C ATOM 1191 CD LYS A 77 -15.135 -0.404 -1.999 1.00 0.00 C ATOM 1192 CE LYS A 77 -16.155 0.681 -2.308 1.00 0.00 C ATOM 1193 NZ LYS A 77 -16.667 0.582 -3.703 1.00 0.00 N ATOM 0 H LYS A 77 -13.512 -3.355 -2.342 1.00 0.00 H new ATOM 0 HA LYS A 77 -13.448 -2.556 0.510 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -15.709 -2.819 -1.500 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -16.000 -2.782 0.227 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -16.214 -0.547 -0.149 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -14.472 -0.568 0.036 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -14.129 -0.006 -2.130 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -15.249 -1.224 -2.709 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -16.988 0.605 -1.609 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -15.700 1.660 -2.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -17.359 1.339 -3.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -15.876 0.680 -4.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -17.124 -0.342 -3.840 1.00 0.00 H new ATOM 1207 N ASP A 78 -13.081 -5.346 -0.195 1.00 0.00 N ATOM 1208 CA ASP A 78 -13.111 -6.767 0.132 1.00 0.00 C ATOM 1209 C ASP A 78 -11.699 -7.321 0.287 1.00 0.00 C ATOM 1210 O ASP A 78 -11.444 -8.491 -0.002 1.00 0.00 O ATOM 1211 CB ASP A 78 -13.860 -7.545 -0.952 1.00 0.00 C ATOM 1212 CG ASP A 78 -15.364 -7.469 -0.782 1.00 0.00 C ATOM 1213 OD1 ASP A 78 -15.865 -7.907 0.275 1.00 0.00 O ATOM 1214 OD2 ASP A 78 -16.042 -6.973 -1.707 1.00 0.00 O ATOM 0 H ASP A 78 -12.222 -5.035 -0.648 1.00 0.00 H new ATOM 0 HA ASP A 78 -13.633 -6.884 1.081 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -13.587 -7.152 -1.932 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -13.547 -8.589 -0.929 1.00 0.00 H new ATOM 1219 N TRP A 79 -10.783 -6.473 0.744 1.00 0.00 N ATOM 1220 CA TRP A 79 -9.395 -6.879 0.937 1.00 0.00 C ATOM 1221 C TRP A 79 -9.294 -7.977 1.996 1.00 0.00 C ATOM 1222 O TRP A 79 -9.839 -7.843 3.091 1.00 0.00 O ATOM 1223 CB TRP A 79 -8.546 -5.675 1.352 1.00 0.00 C ATOM 1224 CG TRP A 79 -7.072 -5.936 1.288 1.00 0.00 C ATOM 1225 CD1 TRP A 79 -6.196 -5.953 2.335 1.00 0.00 C ATOM 1226 CD2 TRP A 79 -6.300 -6.215 0.114 1.00 0.00 C ATOM 1227 NE1 TRP A 79 -4.928 -6.225 1.884 1.00 0.00 N ATOM 1228 CE2 TRP A 79 -4.965 -6.391 0.524 1.00 0.00 C ATOM 1229 CE3 TRP A 79 -6.608 -6.334 -1.245 1.00 0.00 C ATOM 1230 CZ2 TRP A 79 -3.940 -6.679 -0.374 1.00 0.00 C ATOM 1231 CZ3 TRP A 79 -5.589 -6.620 -2.136 1.00 0.00 C ATOM 1232 CH2 TRP A 79 -4.271 -6.791 -1.697 1.00 0.00 C ATOM 0 H TRP A 79 -10.976 -5.502 0.987 1.00 0.00 H new ATOM 0 HA TRP A 79 -9.020 -7.273 -0.007 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -8.786 -4.830 0.706 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -8.812 -5.385 2.368 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -6.462 -5.778 3.367 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -4.094 -6.293 2.467 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -7.622 -6.205 -1.592 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -2.922 -6.809 -0.039 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -5.814 -6.713 -3.188 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -3.499 -7.016 -2.418 1.00 0.00 H new ATOM 1243 N PRO A 80 -8.592 -9.084 1.686 1.00 0.00 N ATOM 1244 CA PRO A 80 -8.429 -10.199 2.624 1.00 0.00 C ATOM 1245 C PRO A 80 -7.547 -9.834 3.814 1.00 0.00 C ATOM 1246 O PRO A 80 -7.629 -10.458 4.872 1.00 0.00 O ATOM 1247 CB PRO A 80 -7.763 -11.286 1.778 1.00 0.00 C ATOM 1248 CG PRO A 80 -7.071 -10.551 0.684 1.00 0.00 C ATOM 1249 CD PRO A 80 -7.906 -9.334 0.405 1.00 0.00 C ATOM 0 HA PRO A 80 -9.381 -10.504 3.059 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -7.058 -11.870 2.369 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -8.500 -11.984 1.380 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -6.061 -10.270 0.982 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -6.980 -11.173 -0.206 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -7.291 -8.485 0.107 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -8.616 -9.511 -0.402 1.00 0.00 H new ATOM 1257 N GLY A 81 -6.704 -8.822 3.635 1.00 0.00 N ATOM 1258 CA GLY A 81 -5.820 -8.395 4.704 1.00 0.00 C ATOM 1259 C GLY A 81 -6.572 -8.024 5.968 1.00 0.00 C ATOM 1260 O GLY A 81 -6.169 -8.398 7.069 1.00 0.00 O ATOM 0 H GLY A 81 -6.617 -8.290 2.769 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -5.113 -9.194 4.927 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -5.236 -7.538 4.368 1.00 0.00 H new ATOM 1264 N TYR A 82 -7.665 -7.286 5.809 1.00 0.00 N ATOM 1265 CA TYR A 82 -8.475 -6.865 6.945 1.00 0.00 C ATOM 1266 C TYR A 82 -9.263 -8.039 7.517 1.00 0.00 C ATOM 1267 O TYR A 82 -9.297 -9.121 6.930 1.00 0.00 O ATOM 1268 CB TYR A 82 -9.433 -5.747 6.530 1.00 0.00 C ATOM 1269 CG TYR A 82 -8.759 -4.613 5.793 1.00 0.00 C ATOM 1270 CD1 TYR A 82 -7.602 -4.026 6.292 1.00 0.00 C ATOM 1271 CD2 TYR A 82 -9.276 -4.128 4.599 1.00 0.00 C ATOM 1272 CE1 TYR A 82 -6.982 -2.989 5.622 1.00 0.00 C ATOM 1273 CE2 TYR A 82 -8.662 -3.091 3.922 1.00 0.00 C ATOM 1274 CZ TYR A 82 -7.516 -2.525 4.437 1.00 0.00 C ATOM 1275 OH TYR A 82 -6.902 -1.494 3.766 1.00 0.00 O ATOM 0 H TYR A 82 -8.010 -6.967 4.904 1.00 0.00 H new ATOM 0 HA TYR A 82 -7.804 -6.490 7.718 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -10.215 -6.167 5.897 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -9.922 -5.351 7.420 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -7.181 -4.387 7.219 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -10.174 -4.569 4.192 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -6.084 -2.544 6.024 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -9.078 -2.726 2.995 1.00 0.00 H new ATOM 0 HH TYR A 82 -5.963 -1.438 4.041 1.00 0.00 H new ATOM 1285 N SER A 83 -9.893 -7.819 8.666 1.00 0.00 N ATOM 1286 CA SER A 83 -10.682 -8.859 9.316 1.00 0.00 C ATOM 1287 C SER A 83 -11.949 -8.277 9.934 1.00 0.00 C ATOM 1288 O SER A 83 -13.057 -8.543 9.469 1.00 0.00 O ATOM 1289 CB SER A 83 -9.850 -9.559 10.393 1.00 0.00 C ATOM 1290 OG SER A 83 -10.115 -10.951 10.418 1.00 0.00 O ATOM 0 H SER A 83 -9.873 -6.930 9.166 1.00 0.00 H new ATOM 0 HA SER A 83 -10.972 -9.587 8.558 1.00 0.00 H new ATOM 0 HB2 SER A 83 -8.790 -9.391 10.204 1.00 0.00 H new ATOM 0 HB3 SER A 83 -10.073 -9.126 11.368 1.00 0.00 H new ATOM 0 HG SER A 83 -11.045 -11.102 10.687 1.00 0.00 H new ATOM 1296 N GLU A 84 -11.777 -7.481 10.984 1.00 0.00 N ATOM 1297 CA GLU A 84 -12.907 -6.860 11.665 1.00 0.00 C ATOM 1298 C GLU A 84 -12.516 -5.506 12.248 1.00 0.00 C ATOM 1299 O GLU A 84 -13.197 -4.504 12.028 1.00 0.00 O ATOM 1300 CB GLU A 84 -13.425 -7.775 12.776 1.00 0.00 C ATOM 1301 CG GLU A 84 -13.984 -9.093 12.267 1.00 0.00 C ATOM 1302 CD GLU A 84 -12.949 -10.201 12.255 1.00 0.00 C ATOM 1303 OE1 GLU A 84 -12.278 -10.397 13.291 1.00 0.00 O ATOM 1304 OE2 GLU A 84 -12.808 -10.871 11.211 1.00 0.00 O ATOM 0 H GLU A 84 -10.866 -7.251 11.382 1.00 0.00 H new ATOM 0 HA GLU A 84 -13.698 -6.704 10.932 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.614 -7.980 13.475 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -14.202 -7.252 13.334 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -14.824 -9.393 12.893 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -14.372 -8.953 11.258 1.00 0.00 H new ATOM 1311 N GLY A 85 -11.415 -5.483 12.992 1.00 0.00 N ATOM 1312 CA GLY A 85 -10.953 -4.247 13.594 1.00 0.00 C ATOM 1313 C GLY A 85 -10.437 -3.258 12.567 1.00 0.00 C ATOM 1314 O GLY A 85 -10.642 -2.051 12.701 1.00 0.00 O ATOM 0 H GLY A 85 -10.835 -6.299 13.189 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -11.770 -3.792 14.154 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -10.161 -4.469 14.310 1.00 0.00 H new ATOM 1318 N ASP A 86 -9.765 -3.768 11.540 1.00 0.00 N ATOM 1319 CA ASP A 86 -9.218 -2.920 10.487 1.00 0.00 C ATOM 1320 C ASP A 86 -10.304 -2.512 9.497 1.00 0.00 C ATOM 1321 O ASP A 86 -10.278 -1.410 8.951 1.00 0.00 O ATOM 1322 CB ASP A 86 -8.089 -3.647 9.754 1.00 0.00 C ATOM 1323 CG ASP A 86 -6.786 -3.623 10.530 1.00 0.00 C ATOM 1324 OD1 ASP A 86 -6.633 -2.744 11.405 1.00 0.00 O ATOM 1325 OD2 ASP A 86 -5.921 -4.483 10.263 1.00 0.00 O ATOM 0 H ASP A 86 -9.586 -4.764 11.415 1.00 0.00 H new ATOM 0 HA ASP A 86 -8.819 -2.018 10.951 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -8.383 -4.681 9.575 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -7.936 -3.185 8.779 1.00 0.00 H new ATOM 1330 N GLN A 87 -11.259 -3.409 9.270 1.00 0.00 N ATOM 1331 CA GLN A 87 -12.355 -3.142 8.345 1.00 0.00 C ATOM 1332 C GLN A 87 -13.160 -1.926 8.793 1.00 0.00 C ATOM 1333 O GLN A 87 -13.484 -1.053 7.988 1.00 0.00 O ATOM 1334 CB GLN A 87 -13.269 -4.364 8.238 1.00 0.00 C ATOM 1335 CG GLN A 87 -12.931 -5.277 7.070 1.00 0.00 C ATOM 1336 CD GLN A 87 -13.631 -6.619 7.157 1.00 0.00 C ATOM 1337 OE1 GLN A 87 -14.708 -6.733 7.741 1.00 0.00 O ATOM 1338 NE2 GLN A 87 -13.020 -7.643 6.574 1.00 0.00 N ATOM 0 H GLN A 87 -11.296 -4.327 9.714 1.00 0.00 H new ATOM 0 HA GLN A 87 -11.928 -2.931 7.365 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -13.208 -4.935 9.164 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -14.301 -4.028 8.139 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -13.209 -4.786 6.138 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -11.853 -5.435 7.037 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -12.127 -7.502 6.101 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -13.443 -8.571 6.599 1.00 0.00 H new ATOM 1347 N GLN A 88 -13.480 -1.877 10.082 1.00 0.00 N ATOM 1348 CA GLN A 88 -14.247 -0.769 10.637 1.00 0.00 C ATOM 1349 C GLN A 88 -13.490 0.546 10.485 1.00 0.00 C ATOM 1350 O GLN A 88 -14.088 1.594 10.243 1.00 0.00 O ATOM 1351 CB GLN A 88 -14.558 -1.025 12.113 1.00 0.00 C ATOM 1352 CG GLN A 88 -15.681 -2.026 12.334 1.00 0.00 C ATOM 1353 CD GLN A 88 -16.222 -1.992 13.750 1.00 0.00 C ATOM 1354 OE1 GLN A 88 -17.376 -1.628 13.978 1.00 0.00 O ATOM 1355 NE2 GLN A 88 -15.388 -2.372 14.711 1.00 0.00 N ATOM 0 H GLN A 88 -13.220 -2.592 10.761 1.00 0.00 H new ATOM 0 HA GLN A 88 -15.183 -0.694 10.084 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -13.657 -1.387 12.608 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -14.825 -0.081 12.588 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -16.491 -1.818 11.635 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -15.317 -3.029 12.112 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -14.440 -2.666 14.477 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -15.696 -2.370 15.684 1.00 0.00 H new ATOM 1364 N LEU A 89 -12.170 0.483 10.632 1.00 0.00 N ATOM 1365 CA LEU A 89 -11.330 1.669 10.511 1.00 0.00 C ATOM 1366 C LEU A 89 -11.304 2.174 9.073 1.00 0.00 C ATOM 1367 O LEU A 89 -11.553 3.351 8.813 1.00 0.00 O ATOM 1368 CB LEU A 89 -9.908 1.361 10.983 1.00 0.00 C ATOM 1369 CG LEU A 89 -9.010 2.583 11.174 1.00 0.00 C ATOM 1370 CD1 LEU A 89 -9.459 3.392 12.381 1.00 0.00 C ATOM 1371 CD2 LEU A 89 -7.557 2.158 11.326 1.00 0.00 C ATOM 0 H LEU A 89 -11.660 -0.376 10.835 1.00 0.00 H new ATOM 0 HA LEU A 89 -11.754 2.450 11.142 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -9.964 0.820 11.927 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -9.438 0.694 10.260 1.00 0.00 H new ATOM 0 HG LEU A 89 -9.093 3.213 10.288 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -8.808 4.258 12.501 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -10.485 3.727 12.233 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -9.406 2.771 13.275 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -6.932 3.041 11.461 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -7.457 1.507 12.194 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -7.239 1.622 10.432 1.00 0.00 H new ATOM 1383 N LEU A 90 -10.998 1.277 8.142 1.00 0.00 N ATOM 1384 CA LEU A 90 -10.937 1.630 6.729 1.00 0.00 C ATOM 1385 C LEU A 90 -12.277 2.173 6.240 1.00 0.00 C ATOM 1386 O LEU A 90 -12.330 2.968 5.302 1.00 0.00 O ATOM 1387 CB LEU A 90 -10.535 0.412 5.895 1.00 0.00 C ATOM 1388 CG LEU A 90 -10.471 0.652 4.385 1.00 0.00 C ATOM 1389 CD1 LEU A 90 -9.061 1.041 3.967 1.00 0.00 C ATOM 1390 CD2 LEU A 90 -10.935 -0.584 3.626 1.00 0.00 C ATOM 0 H LEU A 90 -10.788 0.299 8.341 1.00 0.00 H new ATOM 0 HA LEU A 90 -10.186 2.411 6.610 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -9.559 0.065 6.234 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -11.244 -0.392 6.090 1.00 0.00 H new ATOM 0 HG LEU A 90 -11.141 1.475 4.138 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -9.034 1.208 2.890 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -8.768 1.955 4.483 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.370 0.239 4.228 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -10.882 -0.394 2.554 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -10.292 -1.428 3.877 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -11.963 -0.816 3.903 1.00 0.00 H new ATOM 1402 N LYS A 91 -13.358 1.737 6.880 1.00 0.00 N ATOM 1403 CA LYS A 91 -14.697 2.178 6.507 1.00 0.00 C ATOM 1404 C LYS A 91 -14.929 3.631 6.910 1.00 0.00 C ATOM 1405 O LYS A 91 -15.636 4.370 6.224 1.00 0.00 O ATOM 1406 CB LYS A 91 -15.751 1.278 7.156 1.00 0.00 C ATOM 1407 CG LYS A 91 -16.453 0.356 6.171 1.00 0.00 C ATOM 1408 CD LYS A 91 -17.953 0.315 6.415 1.00 0.00 C ATOM 1409 CE LYS A 91 -18.624 1.604 5.972 1.00 0.00 C ATOM 1410 NZ LYS A 91 -20.104 1.542 6.126 1.00 0.00 N ATOM 0 H LYS A 91 -13.332 1.079 7.659 1.00 0.00 H new ATOM 0 HA LYS A 91 -14.786 2.107 5.423 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -15.276 0.675 7.930 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -16.495 1.902 7.651 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -16.258 0.694 5.153 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -16.042 -0.650 6.257 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -18.388 -0.527 5.876 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -18.146 0.149 7.475 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -18.233 2.436 6.557 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -18.376 1.803 4.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -20.524 2.441 5.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -20.481 0.764 5.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -20.343 1.378 7.125 1.00 0.00 H new ATOM 1424 N ARG A 92 -14.334 4.036 8.027 1.00 0.00 N ATOM 1425 CA ARG A 92 -14.483 5.402 8.519 1.00 0.00 C ATOM 1426 C ARG A 92 -13.462 6.333 7.872 1.00 0.00 C ATOM 1427 O ARG A 92 -13.720 7.523 7.696 1.00 0.00 O ATOM 1428 CB ARG A 92 -14.334 5.439 10.041 1.00 0.00 C ATOM 1429 CG ARG A 92 -12.960 5.013 10.533 1.00 0.00 C ATOM 1430 CD ARG A 92 -12.585 5.725 11.822 1.00 0.00 C ATOM 1431 NE ARG A 92 -11.165 6.068 11.867 1.00 0.00 N ATOM 1432 CZ ARG A 92 -10.593 6.963 11.065 1.00 0.00 C ATOM 1433 NH1 ARG A 92 -11.312 7.601 10.150 1.00 0.00 N ATOM 1434 NH2 ARG A 92 -9.296 7.220 11.177 1.00 0.00 N ATOM 0 H ARG A 92 -13.745 3.440 8.608 1.00 0.00 H new ATOM 0 HA ARG A 92 -15.481 5.748 8.250 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -14.538 6.450 10.392 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -15.087 4.789 10.486 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -12.948 3.935 10.695 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -12.215 5.228 9.767 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -13.180 6.633 11.921 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -12.831 5.089 12.672 1.00 0.00 H new ATOM 0 HE ARG A 92 -10.578 5.594 12.553 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -12.309 7.407 10.058 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -10.868 8.286 9.539 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -8.738 6.732 11.877 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -8.857 7.906 10.563 1.00 0.00 H new ATOM 1448 N VAL A 93 -12.303 5.786 7.521 1.00 0.00 N ATOM 1449 CA VAL A 93 -11.248 6.572 6.894 1.00 0.00 C ATOM 1450 C VAL A 93 -11.674 7.062 5.514 1.00 0.00 C ATOM 1451 O VAL A 93 -11.405 8.203 5.139 1.00 0.00 O ATOM 1452 CB VAL A 93 -9.945 5.761 6.760 1.00 0.00 C ATOM 1453 CG1 VAL A 93 -8.816 6.641 6.246 1.00 0.00 C ATOM 1454 CG2 VAL A 93 -9.572 5.124 8.093 1.00 0.00 C ATOM 0 H VAL A 93 -12.071 4.803 7.660 1.00 0.00 H new ATOM 0 HA VAL A 93 -11.067 7.430 7.541 1.00 0.00 H new ATOM 0 HB VAL A 93 -10.109 4.963 6.036 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -7.905 6.049 6.158 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -9.084 7.042 5.268 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -8.650 7.463 6.942 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -8.649 4.555 7.979 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -9.428 5.904 8.841 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -10.372 4.457 8.414 1.00 0.00 H new ATOM 1464 N LEU A 94 -12.341 6.192 4.763 1.00 0.00 N ATOM 1465 CA LEU A 94 -12.805 6.537 3.425 1.00 0.00 C ATOM 1466 C LEU A 94 -13.857 7.641 3.481 1.00 0.00 C ATOM 1467 O LEU A 94 -13.977 8.444 2.555 1.00 0.00 O ATOM 1468 CB LEU A 94 -13.380 5.302 2.728 1.00 0.00 C ATOM 1469 CG LEU A 94 -12.343 4.277 2.267 1.00 0.00 C ATOM 1470 CD1 LEU A 94 -12.964 2.892 2.180 1.00 0.00 C ATOM 1471 CD2 LEU A 94 -11.754 4.684 0.924 1.00 0.00 C ATOM 0 H LEU A 94 -12.572 5.243 5.058 1.00 0.00 H new ATOM 0 HA LEU A 94 -11.951 6.903 2.854 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -14.076 4.811 3.408 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -13.956 5.628 1.862 1.00 0.00 H new ATOM 0 HG LEU A 94 -11.538 4.246 3.001 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -12.211 2.176 1.850 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -13.339 2.599 3.161 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -13.788 2.907 1.466 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -11.018 3.944 0.610 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -12.549 4.743 0.181 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -11.273 5.657 1.018 1.00 0.00 H new ATOM 1483 N VAL A 95 -14.616 7.674 4.571 1.00 0.00 N ATOM 1484 CA VAL A 95 -15.656 8.680 4.747 1.00 0.00 C ATOM 1485 C VAL A 95 -15.058 10.024 5.146 1.00 0.00 C ATOM 1486 O VAL A 95 -15.456 11.069 4.632 1.00 0.00 O ATOM 1487 CB VAL A 95 -16.682 8.248 5.813 1.00 0.00 C ATOM 1488 CG1 VAL A 95 -17.842 9.230 5.869 1.00 0.00 C ATOM 1489 CG2 VAL A 95 -17.182 6.838 5.536 1.00 0.00 C ATOM 0 H VAL A 95 -14.530 7.016 5.345 1.00 0.00 H new ATOM 0 HA VAL A 95 -16.163 8.782 3.788 1.00 0.00 H new ATOM 0 HB VAL A 95 -16.188 8.249 6.785 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -18.555 8.908 6.627 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -17.467 10.222 6.122 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -18.336 9.265 4.898 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -17.905 6.552 6.300 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -17.658 6.807 4.556 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -16.342 6.144 5.554 1.00 0.00 H new ATOM 1499 N ARG A 96 -14.101 9.989 6.067 1.00 0.00 N ATOM 1500 CA ARG A 96 -13.447 11.206 6.537 1.00 0.00 C ATOM 1501 C ARG A 96 -12.560 11.801 5.450 1.00 0.00 C ATOM 1502 O ARG A 96 -12.419 13.020 5.347 1.00 0.00 O ATOM 1503 CB ARG A 96 -12.615 10.912 7.786 1.00 0.00 C ATOM 1504 CG ARG A 96 -13.426 10.335 8.936 1.00 0.00 C ATOM 1505 CD ARG A 96 -14.296 11.395 9.594 1.00 0.00 C ATOM 1506 NE ARG A 96 -15.720 11.113 9.428 1.00 0.00 N ATOM 1507 CZ ARG A 96 -16.679 11.686 10.153 1.00 0.00 C ATOM 1508 NH1 ARG A 96 -16.371 12.571 11.092 1.00 0.00 N ATOM 1509 NH2 ARG A 96 -17.949 11.372 9.936 1.00 0.00 N ATOM 0 H ARG A 96 -13.761 9.132 6.503 1.00 0.00 H new ATOM 0 HA ARG A 96 -14.221 11.932 6.787 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -11.820 10.213 7.526 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -12.134 11.833 8.117 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -14.055 9.524 8.568 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -12.753 9.905 9.677 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -14.059 11.451 10.656 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -14.067 12.370 9.165 1.00 0.00 H new ATOM 0 HE ARG A 96 -15.996 10.438 8.715 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -15.395 12.816 11.262 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -17.110 13.007 11.644 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -18.190 10.692 9.215 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -18.685 11.810 10.491 1.00 0.00 H new ATOM 1523 N LYS A 97 -11.961 10.934 4.640 1.00 0.00 N ATOM 1524 CA LYS A 97 -11.087 11.374 3.560 1.00 0.00 C ATOM 1525 C LYS A 97 -11.899 11.826 2.352 1.00 0.00 C ATOM 1526 O LYS A 97 -11.849 12.992 1.959 1.00 0.00 O ATOM 1527 CB LYS A 97 -10.135 10.247 3.154 1.00 0.00 C ATOM 1528 CG LYS A 97 -9.004 10.020 4.144 1.00 0.00 C ATOM 1529 CD LYS A 97 -7.874 11.014 3.935 1.00 0.00 C ATOM 1530 CE LYS A 97 -6.606 10.578 4.652 1.00 0.00 C ATOM 1531 NZ LYS A 97 -6.693 10.805 6.121 1.00 0.00 N ATOM 0 H LYS A 97 -12.065 9.922 4.712 1.00 0.00 H new ATOM 0 HA LYS A 97 -10.504 12.221 3.922 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -10.704 9.323 3.047 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -9.711 10.476 2.176 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -9.386 10.110 5.161 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -8.622 9.005 4.035 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -7.672 11.118 2.869 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -8.180 11.995 4.299 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -6.425 9.521 4.458 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -5.754 11.127 4.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -5.809 10.495 6.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -6.841 11.817 6.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -7.490 10.261 6.510 1.00 0.00 H new