USER MOD reduce.3.24.130724 H: found=0, std=0, add=656, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 657 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 GLN : amide:sc= -0.0614 X(o=-0.083,f=-0.13) USER MOD Set 1.2: A 62 CYS SG : rot -110:sc= -0.0218 USER MOD Set 2.1: A 30 CYS SG : rot 100:sc= -1.79 USER MOD Set 2.2: A 79 CYS SG : rot 110:sc= 1.67 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= 0.0835 K(o=0.083,f=-2.9!) USER MOD Single : A 18 GLN : amide:sc= -0.98 K(o=-0.98,f=-2.5!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.75 X(o=-0.75,f=-0.45) USER MOD Single : A 33 ASN : amide:sc= -0.504 X(o=-0.5,f=-0.2) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot -57:sc= 0.0381 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -111:sc= -0.0815 (180deg=-1.16) USER MOD Single : A 65 GLN : amide:sc= -0.822 X(o=-0.82,f=-0.62) USER MOD Single : A 71 MET CE :methyl 157:sc= -2.57! (180deg=-4.04!) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.987 USER MOD Single : A 77 TYR OH : rot -30:sc= -0.425 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 CYS SG : rot -101:sc= -1.79! USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=-0.071) USER MOD Single : A 86 THR OG1 : rot 160:sc= 0.0608 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl -147:sc= -0.158 (180deg=-0.709) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 80 N ALA A 9 -14.172 15.932 4.578 1.00 0.00 N ATOM 81 CA ALA A 9 -13.415 15.957 3.333 1.00 0.00 C ATOM 82 C ALA A 9 -14.005 14.990 2.312 1.00 0.00 C ATOM 83 O ALA A 9 -14.443 13.894 2.662 1.00 0.00 O ATOM 84 CB ALA A 9 -11.954 15.622 3.596 1.00 0.00 C ATOM 0 HA ALA A 9 -13.477 16.964 2.920 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -11.401 15.644 2.657 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -11.531 16.354 4.284 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -11.882 14.627 4.036 1.00 0.00 H new ATOM 90 N ARG A 10 -14.015 15.404 1.049 1.00 0.00 N ATOM 91 CA ARG A 10 -14.554 14.574 -0.022 1.00 0.00 C ATOM 92 C ARG A 10 -13.473 14.235 -1.044 1.00 0.00 C ATOM 93 O ARG A 10 -12.723 15.108 -1.483 1.00 0.00 O ATOM 94 CB ARG A 10 -15.717 15.289 -0.713 1.00 0.00 C ATOM 95 CG ARG A 10 -15.341 16.640 -1.299 1.00 0.00 C ATOM 96 CD ARG A 10 -16.306 17.060 -2.396 1.00 0.00 C ATOM 97 NE ARG A 10 -17.548 17.606 -1.853 1.00 0.00 N ATOM 98 CZ ARG A 10 -18.669 17.720 -2.555 1.00 0.00 C ATOM 99 NH1 ARG A 10 -18.706 17.328 -3.821 1.00 0.00 N ATOM 100 NH2 ARG A 10 -19.758 18.226 -1.991 1.00 0.00 N ATOM 0 H ARG A 10 -13.656 16.308 0.742 1.00 0.00 H new ATOM 0 HA ARG A 10 -14.917 13.646 0.419 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -16.102 14.652 -1.509 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -16.526 15.426 0.005 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -15.337 17.392 -0.510 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -14.329 16.594 -1.701 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -15.829 17.806 -3.032 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -16.533 16.201 -3.027 1.00 0.00 H new ATOM 0 HE ARG A 10 -17.554 17.917 -0.881 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -17.872 16.937 -4.259 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -19.569 17.417 -4.357 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -19.735 18.528 -1.017 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -20.619 18.313 -2.531 1.00 0.00 H new ATOM 114 N PHE A 11 -13.397 12.962 -1.418 1.00 0.00 N ATOM 115 CA PHE A 11 -12.407 12.507 -2.386 1.00 0.00 C ATOM 116 C PHE A 11 -12.685 13.097 -3.766 1.00 0.00 C ATOM 117 O PHE A 11 -13.594 12.656 -4.469 1.00 0.00 O ATOM 118 CB PHE A 11 -12.403 10.979 -2.464 1.00 0.00 C ATOM 119 CG PHE A 11 -11.814 10.319 -1.250 1.00 0.00 C ATOM 120 CD1 PHE A 11 -10.451 10.086 -1.164 1.00 0.00 C ATOM 121 CD2 PHE A 11 -12.624 9.932 -0.194 1.00 0.00 C ATOM 122 CE1 PHE A 11 -9.908 9.478 -0.048 1.00 0.00 C ATOM 123 CE2 PHE A 11 -12.086 9.324 0.924 1.00 0.00 C ATOM 124 CZ PHE A 11 -10.726 9.098 0.998 1.00 0.00 C ATOM 0 H PHE A 11 -14.010 12.227 -1.065 1.00 0.00 H new ATOM 0 HA PHE A 11 -11.427 12.849 -2.054 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -13.426 10.627 -2.599 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -11.841 10.669 -3.345 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -9.806 10.383 -1.978 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -13.688 10.108 -0.246 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -8.844 9.300 0.006 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -12.729 9.026 1.739 1.00 0.00 H new ATOM 0 HZ PHE A 11 -10.303 8.625 1.872 1.00 0.00 H new ATOM 134 N ILE A 12 -11.895 14.096 -4.146 1.00 0.00 N ATOM 135 CA ILE A 12 -12.055 14.746 -5.441 1.00 0.00 C ATOM 136 C ILE A 12 -11.626 13.822 -6.576 1.00 0.00 C ATOM 137 O ILE A 12 -12.175 13.879 -7.676 1.00 0.00 O ATOM 138 CB ILE A 12 -11.241 16.051 -5.520 1.00 0.00 C ATOM 139 CG1 ILE A 12 -9.750 15.760 -5.338 1.00 0.00 C ATOM 140 CG2 ILE A 12 -11.725 17.041 -4.472 1.00 0.00 C ATOM 141 CD1 ILE A 12 -8.860 16.939 -5.660 1.00 0.00 C ATOM 0 H ILE A 12 -11.138 14.473 -3.576 1.00 0.00 H new ATOM 0 HA ILE A 12 -13.114 14.981 -5.548 1.00 0.00 H new ATOM 0 HB ILE A 12 -11.387 16.494 -6.505 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -9.572 15.451 -4.308 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -9.472 14.921 -5.975 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -11.140 17.958 -4.540 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -12.777 17.268 -4.644 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -11.605 16.607 -3.479 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -7.817 16.660 -5.509 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -9.009 17.235 -6.698 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -9.111 17.774 -5.005 1.00 0.00 H new ATOM 153 N GLU A 13 -10.642 12.972 -6.300 1.00 0.00 N ATOM 154 CA GLU A 13 -10.141 12.035 -7.299 1.00 0.00 C ATOM 155 C GLU A 13 -10.123 10.612 -6.749 1.00 0.00 C ATOM 156 O GLU A 13 -9.634 10.367 -5.646 1.00 0.00 O ATOM 157 CB GLU A 13 -8.734 12.438 -7.747 1.00 0.00 C ATOM 158 CG GLU A 13 -8.724 13.477 -8.856 1.00 0.00 C ATOM 159 CD GLU A 13 -9.657 13.121 -9.997 1.00 0.00 C ATOM 160 OE1 GLU A 13 -9.237 12.359 -10.893 1.00 0.00 O ATOM 161 OE2 GLU A 13 -10.808 13.606 -9.994 1.00 0.00 O ATOM 0 H GLU A 13 -10.176 12.913 -5.394 1.00 0.00 H new ATOM 0 HA GLU A 13 -10.811 12.066 -8.158 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -8.186 12.829 -6.889 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -8.202 11.550 -8.087 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -9.012 14.445 -8.445 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -7.710 13.583 -9.241 1.00 0.00 H new ATOM 168 N ASP A 14 -10.659 9.677 -7.526 1.00 0.00 N ATOM 169 CA ASP A 14 -10.705 8.278 -7.118 1.00 0.00 C ATOM 170 C ASP A 14 -9.472 7.527 -7.613 1.00 0.00 C ATOM 171 O ASP A 14 -9.055 7.685 -8.761 1.00 0.00 O ATOM 172 CB ASP A 14 -11.973 7.610 -7.653 1.00 0.00 C ATOM 173 CG ASP A 14 -13.234 8.328 -7.216 1.00 0.00 C ATOM 174 OD1 ASP A 14 -13.214 8.960 -6.138 1.00 0.00 O ATOM 175 OD2 ASP A 14 -14.240 8.260 -7.951 1.00 0.00 O ATOM 0 H ASP A 14 -11.068 9.863 -8.442 1.00 0.00 H new ATOM 0 HA ASP A 14 -10.717 8.243 -6.029 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -11.933 7.582 -8.742 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -12.009 6.577 -7.308 1.00 0.00 H new ATOM 180 N VAL A 15 -8.892 6.710 -6.739 1.00 0.00 N ATOM 181 CA VAL A 15 -7.707 5.935 -7.087 1.00 0.00 C ATOM 182 C VAL A 15 -7.957 5.073 -8.319 1.00 0.00 C ATOM 183 O VAL A 15 -9.102 4.848 -8.712 1.00 0.00 O ATOM 184 CB VAL A 15 -7.267 5.030 -5.921 1.00 0.00 C ATOM 185 CG1 VAL A 15 -6.955 5.863 -4.687 1.00 0.00 C ATOM 186 CG2 VAL A 15 -8.338 3.993 -5.618 1.00 0.00 C ATOM 0 H VAL A 15 -9.224 6.568 -5.785 1.00 0.00 H new ATOM 0 HA VAL A 15 -6.913 6.650 -7.302 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.358 4.505 -6.214 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -6.646 5.207 -3.874 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -6.151 6.563 -4.914 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.845 6.417 -4.388 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -8.010 3.362 -4.792 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -9.265 4.497 -5.345 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -8.507 3.376 -6.500 1.00 0.00 H new ATOM 196 N LYS A 16 -6.877 4.592 -8.926 1.00 0.00 N ATOM 197 CA LYS A 16 -6.977 3.752 -10.113 1.00 0.00 C ATOM 198 C LYS A 16 -6.748 2.285 -9.763 1.00 0.00 C ATOM 199 O LYS A 16 -5.973 1.966 -8.862 1.00 0.00 O ATOM 200 CB LYS A 16 -5.962 4.200 -11.167 1.00 0.00 C ATOM 201 CG LYS A 16 -5.946 5.702 -11.396 1.00 0.00 C ATOM 202 CD LYS A 16 -7.278 6.199 -11.932 1.00 0.00 C ATOM 203 CE LYS A 16 -7.175 7.628 -12.443 1.00 0.00 C ATOM 204 NZ LYS A 16 -6.727 7.679 -13.862 1.00 0.00 N ATOM 0 H LYS A 16 -5.922 4.770 -8.615 1.00 0.00 H new ATOM 0 HA LYS A 16 -7.983 3.858 -10.518 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -4.967 3.877 -10.862 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.184 3.700 -12.109 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -5.717 6.211 -10.460 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -5.153 5.955 -12.099 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -7.613 5.546 -12.738 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -8.031 6.146 -11.145 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -8.145 8.117 -12.351 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -6.475 8.186 -11.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -6.669 8.670 -14.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -5.790 7.235 -13.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -7.408 7.168 -14.460 1.00 0.00 H new ATOM 218 N ASN A 17 -7.425 1.396 -10.483 1.00 0.00 N ATOM 219 CA ASN A 17 -7.293 -0.037 -10.249 1.00 0.00 C ATOM 220 C ASN A 17 -5.844 -0.409 -9.951 1.00 0.00 C ATOM 221 O ASN A 17 -4.916 0.268 -10.393 1.00 0.00 O ATOM 222 CB ASN A 17 -7.793 -0.822 -11.463 1.00 0.00 C ATOM 223 CG ASN A 17 -7.296 -0.240 -12.773 1.00 0.00 C ATOM 224 OD1 ASN A 17 -7.662 0.874 -13.148 1.00 0.00 O ATOM 225 ND2 ASN A 17 -6.456 -0.993 -13.474 1.00 0.00 N ATOM 0 H ASN A 17 -8.070 1.643 -11.233 1.00 0.00 H new ATOM 0 HA ASN A 17 -7.901 -0.295 -9.382 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -7.466 -1.859 -11.382 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -8.883 -0.831 -11.463 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -6.087 -0.654 -14.362 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -6.180 -1.910 -13.124 1.00 0.00 H new ATOM 232 N GLN A 18 -5.658 -1.489 -9.199 1.00 0.00 N ATOM 233 CA GLN A 18 -4.322 -1.950 -8.842 1.00 0.00 C ATOM 234 C GLN A 18 -4.028 -3.307 -9.473 1.00 0.00 C ATOM 235 O GLN A 18 -4.839 -4.229 -9.391 1.00 0.00 O ATOM 236 CB GLN A 18 -4.180 -2.040 -7.321 1.00 0.00 C ATOM 237 CG GLN A 18 -2.748 -1.888 -6.834 1.00 0.00 C ATOM 238 CD GLN A 18 -2.135 -0.559 -7.230 1.00 0.00 C ATOM 239 OE1 GLN A 18 -0.976 -0.495 -7.641 1.00 0.00 O ATOM 240 NE2 GLN A 18 -2.912 0.511 -7.109 1.00 0.00 N ATOM 0 H GLN A 18 -6.416 -2.061 -8.825 1.00 0.00 H new ATOM 0 HA GLN A 18 -3.601 -1.228 -9.225 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -4.796 -1.267 -6.861 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -4.570 -3.001 -6.984 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -2.725 -1.985 -5.749 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -2.142 -2.698 -7.240 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -3.867 0.412 -6.764 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -2.554 1.432 -7.361 1.00 0.00 H new ATOM 249 N GLU A 19 -2.863 -3.421 -10.103 1.00 0.00 N ATOM 250 CA GLU A 19 -2.463 -4.666 -10.749 1.00 0.00 C ATOM 251 C GLU A 19 -0.948 -4.842 -10.701 1.00 0.00 C ATOM 252 O GLU A 19 -0.196 -3.947 -11.085 1.00 0.00 O ATOM 253 CB GLU A 19 -2.945 -4.690 -12.201 1.00 0.00 C ATOM 254 CG GLU A 19 -2.491 -5.918 -12.973 1.00 0.00 C ATOM 255 CD GLU A 19 -2.950 -5.901 -14.418 1.00 0.00 C ATOM 256 OE1 GLU A 19 -2.429 -5.077 -15.197 1.00 0.00 O ATOM 257 OE2 GLU A 19 -3.830 -6.715 -14.770 1.00 0.00 O ATOM 0 H GLU A 19 -2.180 -2.667 -10.180 1.00 0.00 H new ATOM 0 HA GLU A 19 -2.924 -5.492 -10.207 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.034 -4.645 -12.214 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -2.583 -3.797 -12.710 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.403 -5.981 -12.942 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.876 -6.813 -12.484 1.00 0.00 H new ATOM 264 N ALA A 20 -0.508 -6.003 -10.226 1.00 0.00 N ATOM 265 CA ALA A 20 0.916 -6.298 -10.129 1.00 0.00 C ATOM 266 C ALA A 20 1.154 -7.788 -9.912 1.00 0.00 C ATOM 267 O ALA A 20 0.325 -8.479 -9.321 1.00 0.00 O ATOM 268 CB ALA A 20 1.546 -5.491 -9.004 1.00 0.00 C ATOM 0 H ALA A 20 -1.117 -6.754 -9.903 1.00 0.00 H new ATOM 0 HA ALA A 20 1.386 -6.016 -11.071 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.610 -5.721 -8.943 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.416 -4.427 -9.202 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.065 -5.746 -8.060 1.00 0.00 H new ATOM 274 N ARG A 21 2.292 -8.277 -10.394 1.00 0.00 N ATOM 275 CA ARG A 21 2.638 -9.686 -10.254 1.00 0.00 C ATOM 276 C ARG A 21 3.047 -10.006 -8.819 1.00 0.00 C ATOM 277 O ARG A 21 3.606 -9.161 -8.121 1.00 0.00 O ATOM 278 CB ARG A 21 3.773 -10.052 -11.212 1.00 0.00 C ATOM 279 CG ARG A 21 5.109 -9.431 -10.839 1.00 0.00 C ATOM 280 CD ARG A 21 6.273 -10.240 -11.390 1.00 0.00 C ATOM 281 NE ARG A 21 7.440 -9.405 -11.664 1.00 0.00 N ATOM 282 CZ ARG A 21 8.678 -9.878 -11.749 1.00 0.00 C ATOM 283 NH1 ARG A 21 8.910 -11.173 -11.584 1.00 0.00 N ATOM 284 NH2 ARG A 21 9.688 -9.055 -12.002 1.00 0.00 N ATOM 0 H ARG A 21 2.990 -7.718 -10.885 1.00 0.00 H new ATOM 0 HA ARG A 21 1.756 -10.277 -10.503 1.00 0.00 H new ATOM 0 HB2 ARG A 21 3.880 -11.136 -11.237 1.00 0.00 H new ATOM 0 HB3 ARG A 21 3.503 -9.735 -12.219 1.00 0.00 H new ATOM 0 HG2 ARG A 21 5.158 -8.412 -11.224 1.00 0.00 H new ATOM 0 HG3 ARG A 21 5.191 -9.366 -9.754 1.00 0.00 H new ATOM 0 HD2 ARG A 21 6.544 -11.018 -10.676 1.00 0.00 H new ATOM 0 HD3 ARG A 21 5.964 -10.742 -12.307 1.00 0.00 H new ATOM 0 HE ARG A 21 7.296 -8.404 -11.797 1.00 0.00 H new ATOM 0 HH11 ARG A 21 8.136 -11.809 -11.391 1.00 0.00 H new ATOM 0 HH12 ARG A 21 9.862 -11.533 -11.650 1.00 0.00 H new ATOM 0 HH21 ARG A 21 9.514 -8.058 -12.131 1.00 0.00 H new ATOM 0 HH22 ARG A 21 10.639 -9.419 -12.067 1.00 0.00 H new ATOM 298 N GLU A 22 2.762 -11.230 -8.387 1.00 0.00 N ATOM 299 CA GLU A 22 3.099 -11.660 -7.035 1.00 0.00 C ATOM 300 C GLU A 22 4.512 -11.222 -6.661 1.00 0.00 C ATOM 301 O GLU A 22 5.403 -11.173 -7.508 1.00 0.00 O ATOM 302 CB GLU A 22 2.975 -13.180 -6.913 1.00 0.00 C ATOM 303 CG GLU A 22 1.610 -13.643 -6.433 1.00 0.00 C ATOM 304 CD GLU A 22 1.625 -15.070 -5.919 1.00 0.00 C ATOM 305 OE1 GLU A 22 2.482 -15.856 -6.374 1.00 0.00 O ATOM 306 OE2 GLU A 22 0.779 -15.400 -5.061 1.00 0.00 O ATOM 0 H GLU A 22 2.299 -11.941 -8.953 1.00 0.00 H new ATOM 0 HA GLU A 22 2.397 -11.189 -6.346 1.00 0.00 H new ATOM 0 HB2 GLU A 22 3.182 -13.632 -7.883 1.00 0.00 H new ATOM 0 HB3 GLU A 22 3.736 -13.544 -6.223 1.00 0.00 H new ATOM 0 HG2 GLU A 22 1.263 -12.979 -5.641 1.00 0.00 H new ATOM 0 HG3 GLU A 22 0.895 -13.563 -7.252 1.00 0.00 H new ATOM 313 N GLY A 23 4.709 -10.904 -5.385 1.00 0.00 N ATOM 314 CA GLY A 23 6.015 -10.474 -4.921 1.00 0.00 C ATOM 315 C GLY A 23 6.323 -9.039 -5.303 1.00 0.00 C ATOM 316 O GLY A 23 7.480 -8.683 -5.521 1.00 0.00 O ATOM 0 H GLY A 23 3.988 -10.937 -4.665 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.064 -10.577 -3.837 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.779 -11.130 -5.338 1.00 0.00 H new ATOM 320 N ALA A 24 5.284 -8.215 -5.387 1.00 0.00 N ATOM 321 CA ALA A 24 5.449 -6.812 -5.746 1.00 0.00 C ATOM 322 C ALA A 24 4.890 -5.898 -4.660 1.00 0.00 C ATOM 323 O ALA A 24 4.388 -6.366 -3.638 1.00 0.00 O ATOM 324 CB ALA A 24 4.774 -6.525 -7.079 1.00 0.00 C ATOM 0 H ALA A 24 4.319 -8.495 -5.211 1.00 0.00 H new ATOM 0 HA ALA A 24 6.516 -6.610 -5.841 1.00 0.00 H new ATOM 0 HB1 ALA A 24 4.905 -5.474 -7.334 1.00 0.00 H new ATOM 0 HB2 ALA A 24 5.222 -7.146 -7.855 1.00 0.00 H new ATOM 0 HB3 ALA A 24 3.710 -6.750 -7.004 1.00 0.00 H new ATOM 330 N THR A 25 4.981 -4.592 -4.888 1.00 0.00 N ATOM 331 CA THR A 25 4.486 -3.612 -3.929 1.00 0.00 C ATOM 332 C THR A 25 3.436 -2.705 -4.561 1.00 0.00 C ATOM 333 O THR A 25 3.767 -1.784 -5.307 1.00 0.00 O ATOM 334 CB THR A 25 5.630 -2.744 -3.372 1.00 0.00 C ATOM 335 OG1 THR A 25 6.671 -3.580 -2.854 1.00 0.00 O ATOM 336 CG2 THR A 25 5.123 -1.819 -2.276 1.00 0.00 C ATOM 0 H THR A 25 5.393 -4.188 -5.729 1.00 0.00 H new ATOM 0 HA THR A 25 4.033 -4.172 -3.111 1.00 0.00 H new ATOM 0 HB THR A 25 6.024 -2.135 -4.186 1.00 0.00 H new ATOM 0 HG1 THR A 25 7.395 -3.021 -2.503 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.949 -1.216 -1.898 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.351 -1.164 -2.681 1.00 0.00 H new ATOM 0 HG23 THR A 25 4.706 -2.413 -1.463 1.00 0.00 H new ATOM 344 N ALA A 26 2.170 -2.972 -4.257 1.00 0.00 N ATOM 345 CA ALA A 26 1.072 -2.178 -4.793 1.00 0.00 C ATOM 346 C ALA A 26 1.231 -0.705 -4.429 1.00 0.00 C ATOM 347 O ALA A 26 2.071 -0.347 -3.603 1.00 0.00 O ATOM 348 CB ALA A 26 -0.260 -2.709 -4.286 1.00 0.00 C ATOM 0 H ALA A 26 1.880 -3.732 -3.642 1.00 0.00 H new ATOM 0 HA ALA A 26 1.093 -2.261 -5.880 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.071 -2.106 -4.694 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.383 -3.745 -4.602 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.282 -2.657 -3.197 1.00 0.00 H new ATOM 354 N VAL A 27 0.418 0.144 -5.049 1.00 0.00 N ATOM 355 CA VAL A 27 0.468 1.578 -4.790 1.00 0.00 C ATOM 356 C VAL A 27 -0.878 2.235 -5.075 1.00 0.00 C ATOM 357 O VAL A 27 -1.286 2.364 -6.230 1.00 0.00 O ATOM 358 CB VAL A 27 1.553 2.265 -5.640 1.00 0.00 C ATOM 359 CG1 VAL A 27 1.542 3.768 -5.406 1.00 0.00 C ATOM 360 CG2 VAL A 27 2.922 1.679 -5.330 1.00 0.00 C ATOM 0 H VAL A 27 -0.283 -0.136 -5.734 1.00 0.00 H new ATOM 0 HA VAL A 27 0.713 1.701 -3.735 1.00 0.00 H new ATOM 0 HB VAL A 27 1.335 2.084 -6.693 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.315 4.237 -6.015 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.568 4.172 -5.682 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.735 3.974 -4.353 1.00 0.00 H new ATOM 0 HG21 VAL A 27 3.677 2.176 -5.939 1.00 0.00 H new ATOM 0 HG22 VAL A 27 3.151 1.828 -4.275 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.920 0.612 -5.553 1.00 0.00 H new ATOM 370 N LEU A 28 -1.564 2.649 -4.016 1.00 0.00 N ATOM 371 CA LEU A 28 -2.865 3.295 -4.152 1.00 0.00 C ATOM 372 C LEU A 28 -2.788 4.765 -3.754 1.00 0.00 C ATOM 373 O LEU A 28 -2.661 5.093 -2.575 1.00 0.00 O ATOM 374 CB LEU A 28 -3.906 2.576 -3.291 1.00 0.00 C ATOM 375 CG LEU A 28 -4.363 1.207 -3.795 1.00 0.00 C ATOM 376 CD1 LEU A 28 -4.747 0.310 -2.628 1.00 0.00 C ATOM 377 CD2 LEU A 28 -5.529 1.357 -4.761 1.00 0.00 C ATOM 0 H LEU A 28 -1.241 2.549 -3.054 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.164 3.236 -5.199 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.497 2.454 -2.288 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.782 3.219 -3.202 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.534 0.741 -4.327 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.070 -0.660 -3.006 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.886 0.176 -1.973 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.561 0.770 -2.068 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.841 0.373 -5.110 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.362 1.843 -4.253 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.220 1.963 -5.613 1.00 0.00 H new ATOM 389 N GLN A 29 -2.867 5.646 -4.746 1.00 0.00 N ATOM 390 CA GLN A 29 -2.807 7.082 -4.499 1.00 0.00 C ATOM 391 C GLN A 29 -4.171 7.729 -4.720 1.00 0.00 C ATOM 392 O GLN A 29 -4.930 7.317 -5.597 1.00 0.00 O ATOM 393 CB GLN A 29 -1.766 7.735 -5.410 1.00 0.00 C ATOM 394 CG GLN A 29 -0.357 7.205 -5.201 1.00 0.00 C ATOM 395 CD GLN A 29 0.647 7.824 -6.153 1.00 0.00 C ATOM 396 OE1 GLN A 29 0.536 8.997 -6.513 1.00 0.00 O ATOM 397 NE2 GLN A 29 1.634 7.039 -6.566 1.00 0.00 N ATOM 0 H GLN A 29 -2.973 5.391 -5.728 1.00 0.00 H new ATOM 0 HA GLN A 29 -2.516 7.235 -3.460 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -2.054 7.577 -6.449 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -1.770 8.811 -5.239 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -0.048 7.402 -4.175 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -0.357 6.123 -5.332 1.00 0.00 H new ATOM 0 HE21 GLN A 29 1.687 6.073 -6.242 1.00 0.00 H new ATOM 0 HE22 GLN A 29 2.340 7.401 -7.207 1.00 0.00 H new ATOM 406 N CYS A 30 -4.474 8.744 -3.918 1.00 0.00 N ATOM 407 CA CYS A 30 -5.748 9.448 -4.025 1.00 0.00 C ATOM 408 C CYS A 30 -5.585 10.922 -3.669 1.00 0.00 C ATOM 409 O CYS A 30 -4.519 11.350 -3.227 1.00 0.00 O ATOM 410 CB CYS A 30 -6.790 8.802 -3.110 1.00 0.00 C ATOM 411 SG CYS A 30 -6.666 9.307 -1.378 1.00 0.00 S ATOM 0 H CYS A 30 -3.856 9.098 -3.188 1.00 0.00 H new ATOM 0 HA CYS A 30 -6.089 9.377 -5.058 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -7.785 9.049 -3.479 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -6.688 7.718 -3.170 1.00 0.00 H new ATOM 0 HG CYS A 30 -7.556 10.221 -1.128 1.00 0.00 H new ATOM 417 N GLU A 31 -6.649 11.694 -3.866 1.00 0.00 N ATOM 418 CA GLU A 31 -6.623 13.121 -3.567 1.00 0.00 C ATOM 419 C GLU A 31 -7.872 13.540 -2.798 1.00 0.00 C ATOM 420 O GLU A 31 -8.941 12.948 -2.958 1.00 0.00 O ATOM 421 CB GLU A 31 -6.511 13.933 -4.860 1.00 0.00 C ATOM 422 CG GLU A 31 -6.115 15.382 -4.636 1.00 0.00 C ATOM 423 CD GLU A 31 -5.584 16.043 -5.893 1.00 0.00 C ATOM 424 OE1 GLU A 31 -6.107 15.744 -6.987 1.00 0.00 O ATOM 425 OE2 GLU A 31 -4.646 16.860 -5.782 1.00 0.00 O ATOM 0 H GLU A 31 -7.539 11.355 -4.231 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.751 13.319 -2.944 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.777 13.461 -5.513 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.467 13.903 -5.382 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.979 15.939 -4.274 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.355 15.431 -3.856 1.00 0.00 H new ATOM 432 N LEU A 32 -7.730 14.562 -1.962 1.00 0.00 N ATOM 433 CA LEU A 32 -8.847 15.061 -1.166 1.00 0.00 C ATOM 434 C LEU A 32 -9.135 16.524 -1.488 1.00 0.00 C ATOM 435 O LEU A 32 -8.234 17.278 -1.852 1.00 0.00 O ATOM 436 CB LEU A 32 -8.545 14.905 0.325 1.00 0.00 C ATOM 437 CG LEU A 32 -8.409 13.470 0.836 1.00 0.00 C ATOM 438 CD1 LEU A 32 -7.516 13.424 2.066 1.00 0.00 C ATOM 439 CD2 LEU A 32 -9.778 12.882 1.146 1.00 0.00 C ATOM 0 H LEU A 32 -6.853 15.062 -1.817 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.730 14.473 -1.415 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.620 15.437 0.545 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.338 15.397 0.889 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.946 12.868 0.054 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.431 12.395 2.416 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.527 13.804 1.812 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.950 14.040 2.854 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -9.662 11.861 1.508 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.268 13.485 1.911 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.386 12.879 0.241 1.00 0.00 H new ATOM 451 N ASN A 33 -10.397 16.917 -1.350 1.00 0.00 N ATOM 452 CA ASN A 33 -10.803 18.290 -1.625 1.00 0.00 C ATOM 453 C ASN A 33 -10.211 19.249 -0.597 1.00 0.00 C ATOM 454 O ASN A 33 -10.109 20.452 -0.841 1.00 0.00 O ATOM 455 CB ASN A 33 -12.329 18.403 -1.624 1.00 0.00 C ATOM 456 CG ASN A 33 -12.807 19.787 -1.228 1.00 0.00 C ATOM 457 OD1 ASN A 33 -12.975 20.663 -2.076 1.00 0.00 O ATOM 458 ND2 ASN A 33 -13.028 19.989 0.065 1.00 0.00 N ATOM 0 H ASN A 33 -11.155 16.305 -1.050 1.00 0.00 H new ATOM 0 HA ASN A 33 -10.425 18.563 -2.610 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -12.709 18.161 -2.616 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -12.744 17.667 -0.935 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -13.351 20.900 0.391 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -12.875 19.233 0.733 1.00 0.00 H new ATOM 465 N SER A 34 -9.820 18.709 0.552 1.00 0.00 N ATOM 466 CA SER A 34 -9.241 19.516 1.619 1.00 0.00 C ATOM 467 C SER A 34 -8.312 18.677 2.492 1.00 0.00 C ATOM 468 O SER A 34 -8.557 17.493 2.718 1.00 0.00 O ATOM 469 CB SER A 34 -10.346 20.134 2.478 1.00 0.00 C ATOM 470 OG SER A 34 -9.824 21.126 3.344 1.00 0.00 O ATOM 0 H SER A 34 -9.894 17.715 0.768 1.00 0.00 H new ATOM 0 HA SER A 34 -8.658 20.315 1.161 1.00 0.00 H new ATOM 0 HB2 SER A 34 -11.108 20.573 1.835 1.00 0.00 H new ATOM 0 HB3 SER A 34 -10.834 19.355 3.064 1.00 0.00 H new ATOM 0 HG SER A 34 -10.550 21.507 3.881 1.00 0.00 H new ATOM 476 N ALA A 35 -7.245 19.301 2.980 1.00 0.00 N ATOM 477 CA ALA A 35 -6.280 18.614 3.829 1.00 0.00 C ATOM 478 C ALA A 35 -6.979 17.854 4.950 1.00 0.00 C ATOM 479 O ALA A 35 -7.614 18.453 5.818 1.00 0.00 O ATOM 480 CB ALA A 35 -5.282 19.608 4.405 1.00 0.00 C ATOM 0 H ALA A 35 -7.027 20.281 2.802 1.00 0.00 H new ATOM 0 HA ALA A 35 -5.743 17.891 3.215 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -4.567 19.081 5.037 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.751 20.103 3.592 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -5.812 20.353 4.999 1.00 0.00 H new ATOM 486 N ALA A 36 -6.859 16.530 4.926 1.00 0.00 N ATOM 487 CA ALA A 36 -7.479 15.688 5.941 1.00 0.00 C ATOM 488 C ALA A 36 -6.931 14.266 5.885 1.00 0.00 C ATOM 489 O ALA A 36 -6.513 13.778 4.835 1.00 0.00 O ATOM 490 CB ALA A 36 -8.991 15.680 5.770 1.00 0.00 C ATOM 0 H ALA A 36 -6.338 16.018 4.214 1.00 0.00 H new ATOM 0 HA ALA A 36 -7.237 16.104 6.919 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -9.440 15.047 6.535 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -9.374 16.696 5.869 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -9.244 15.291 4.783 1.00 0.00 H new ATOM 496 N PRO A 37 -6.932 13.585 7.040 1.00 0.00 N ATOM 497 CA PRO A 37 -6.437 12.209 7.147 1.00 0.00 C ATOM 498 C PRO A 37 -7.348 11.209 6.444 1.00 0.00 C ATOM 499 O PRO A 37 -8.456 11.549 6.027 1.00 0.00 O ATOM 500 CB PRO A 37 -6.427 11.952 8.656 1.00 0.00 C ATOM 501 CG PRO A 37 -7.453 12.882 9.206 1.00 0.00 C ATOM 502 CD PRO A 37 -7.415 14.104 8.330 1.00 0.00 C ATOM 0 HA PRO A 37 -5.463 12.089 6.673 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -6.672 10.914 8.882 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -5.444 12.149 9.084 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -8.442 12.424 9.194 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -7.233 13.138 10.242 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -8.400 14.561 8.236 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -6.747 14.866 8.732 1.00 0.00 H new ATOM 510 N VAL A 38 -6.875 9.973 6.314 1.00 0.00 N ATOM 511 CA VAL A 38 -7.648 8.923 5.662 1.00 0.00 C ATOM 512 C VAL A 38 -7.345 7.559 6.271 1.00 0.00 C ATOM 513 O VAL A 38 -6.517 7.442 7.174 1.00 0.00 O ATOM 514 CB VAL A 38 -7.363 8.873 4.150 1.00 0.00 C ATOM 515 CG1 VAL A 38 -7.655 10.219 3.506 1.00 0.00 C ATOM 516 CG2 VAL A 38 -5.924 8.451 3.894 1.00 0.00 C ATOM 0 H VAL A 38 -5.960 9.675 6.652 1.00 0.00 H new ATOM 0 HA VAL A 38 -8.700 9.161 5.818 1.00 0.00 H new ATOM 0 HB VAL A 38 -8.022 8.131 3.698 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -7.448 10.164 2.437 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.703 10.476 3.659 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.024 10.984 3.959 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -5.739 8.421 2.820 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.247 9.167 4.359 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.754 7.462 4.319 1.00 0.00 H new ATOM 526 N GLU A 39 -8.022 6.529 5.771 1.00 0.00 N ATOM 527 CA GLU A 39 -7.824 5.173 6.267 1.00 0.00 C ATOM 528 C GLU A 39 -7.969 4.155 5.139 1.00 0.00 C ATOM 529 O GLU A 39 -8.987 4.120 4.447 1.00 0.00 O ATOM 530 CB GLU A 39 -8.825 4.862 7.381 1.00 0.00 C ATOM 531 CG GLU A 39 -8.390 3.726 8.292 1.00 0.00 C ATOM 532 CD GLU A 39 -7.589 4.210 9.485 1.00 0.00 C ATOM 533 OE1 GLU A 39 -8.200 4.744 10.434 1.00 0.00 O ATOM 534 OE2 GLU A 39 -6.350 4.053 9.469 1.00 0.00 O ATOM 0 H GLU A 39 -8.711 6.609 5.024 1.00 0.00 H new ATOM 0 HA GLU A 39 -6.813 5.104 6.668 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -8.978 5.759 7.981 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -9.786 4.610 6.934 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -9.271 3.190 8.644 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.792 3.016 7.721 1.00 0.00 H new ATOM 541 N TRP A 40 -6.945 3.329 4.960 1.00 0.00 N ATOM 542 CA TRP A 40 -6.958 2.310 3.916 1.00 0.00 C ATOM 543 C TRP A 40 -7.514 0.993 4.447 1.00 0.00 C ATOM 544 O TRP A 40 -6.901 0.348 5.297 1.00 0.00 O ATOM 545 CB TRP A 40 -5.547 2.097 3.366 1.00 0.00 C ATOM 546 CG TRP A 40 -4.943 3.338 2.783 1.00 0.00 C ATOM 547 CD1 TRP A 40 -4.141 4.239 3.424 1.00 0.00 C ATOM 548 CD2 TRP A 40 -5.094 3.816 1.442 1.00 0.00 C ATOM 549 NE1 TRP A 40 -3.785 5.248 2.562 1.00 0.00 N ATOM 550 CE2 TRP A 40 -4.356 5.011 1.340 1.00 0.00 C ATOM 551 CE3 TRP A 40 -5.779 3.350 0.316 1.00 0.00 C ATOM 552 CZ2 TRP A 40 -4.286 5.744 0.158 1.00 0.00 C ATOM 553 CZ3 TRP A 40 -5.709 4.079 -0.855 1.00 0.00 C ATOM 554 CH2 TRP A 40 -4.967 5.265 -0.928 1.00 0.00 C ATOM 0 H TRP A 40 -6.095 3.344 5.524 1.00 0.00 H new ATOM 0 HA TRP A 40 -7.606 2.658 3.111 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -4.904 1.730 4.166 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -5.576 1.322 2.600 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -3.832 4.169 4.457 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -3.192 6.044 2.795 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -6.353 2.436 0.361 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -3.714 6.658 0.100 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -6.236 3.728 -1.730 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -4.932 5.812 -1.859 1.00 0.00 H new ATOM 565 N ARG A 41 -8.679 0.601 3.941 1.00 0.00 N ATOM 566 CA ARG A 41 -9.318 -0.639 4.366 1.00 0.00 C ATOM 567 C ARG A 41 -9.082 -1.749 3.346 1.00 0.00 C ATOM 568 O ARG A 41 -8.412 -1.545 2.333 1.00 0.00 O ATOM 569 CB ARG A 41 -10.819 -0.422 4.562 1.00 0.00 C ATOM 570 CG ARG A 41 -11.152 0.766 5.450 1.00 0.00 C ATOM 571 CD ARG A 41 -12.638 1.088 5.415 1.00 0.00 C ATOM 572 NE ARG A 41 -13.073 1.794 6.617 1.00 0.00 N ATOM 573 CZ ARG A 41 -13.421 1.183 7.744 1.00 0.00 C ATOM 574 NH1 ARG A 41 -13.384 -0.140 7.823 1.00 0.00 N ATOM 575 NH2 ARG A 41 -13.806 1.895 8.795 1.00 0.00 N ATOM 0 H ARG A 41 -9.199 1.124 3.237 1.00 0.00 H new ATOM 0 HA ARG A 41 -8.875 -0.941 5.315 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -11.287 -0.279 3.588 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -11.254 -1.322 4.996 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -10.849 0.552 6.475 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -10.582 1.636 5.124 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -12.856 1.697 4.538 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -13.207 0.164 5.311 1.00 0.00 H new ATOM 0 HE ARG A 41 -13.112 2.813 6.590 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -13.088 -0.691 7.017 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -13.652 -0.607 8.689 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -13.835 2.913 8.738 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -14.073 1.424 9.660 1.00 0.00 H new ATOM 589 N LYS A 42 -9.637 -2.925 3.620 1.00 0.00 N ATOM 590 CA LYS A 42 -9.489 -4.068 2.728 1.00 0.00 C ATOM 591 C LYS A 42 -10.389 -5.219 3.164 1.00 0.00 C ATOM 592 O LYS A 42 -10.192 -5.805 4.228 1.00 0.00 O ATOM 593 CB LYS A 42 -8.031 -4.531 2.696 1.00 0.00 C ATOM 594 CG LYS A 42 -7.695 -5.401 1.497 1.00 0.00 C ATOM 595 CD LYS A 42 -6.613 -6.415 1.830 1.00 0.00 C ATOM 596 CE LYS A 42 -6.755 -7.677 0.993 1.00 0.00 C ATOM 597 NZ LYS A 42 -7.614 -8.692 1.661 1.00 0.00 N ATOM 0 H LYS A 42 -10.194 -3.111 4.454 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.787 -3.756 1.727 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -7.381 -3.656 2.693 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -7.815 -5.086 3.609 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.592 -5.922 1.161 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -7.364 -4.772 0.671 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -5.632 -5.972 1.658 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -6.666 -6.671 2.888 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -7.181 -7.423 0.022 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -5.769 -8.102 0.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -7.686 -9.537 1.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -7.195 -8.954 2.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -8.563 -8.296 1.816 1.00 0.00 H new ATOM 611 N GLY A 43 -11.377 -5.540 2.334 1.00 0.00 N ATOM 612 CA GLY A 43 -12.291 -6.621 2.652 1.00 0.00 C ATOM 613 C GLY A 43 -12.919 -6.466 4.023 1.00 0.00 C ATOM 614 O GLY A 43 -13.047 -7.438 4.768 1.00 0.00 O ATOM 0 H GLY A 43 -11.560 -5.071 1.447 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -13.077 -6.661 1.898 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.756 -7.570 2.606 1.00 0.00 H new ATOM 618 N SER A 44 -13.309 -5.240 4.358 1.00 0.00 N ATOM 619 CA SER A 44 -13.921 -4.960 5.652 1.00 0.00 C ATOM 620 C SER A 44 -12.889 -5.051 6.772 1.00 0.00 C ATOM 621 O SER A 44 -13.117 -5.704 7.789 1.00 0.00 O ATOM 622 CB SER A 44 -15.068 -5.936 5.920 1.00 0.00 C ATOM 623 OG SER A 44 -15.910 -5.462 6.955 1.00 0.00 O ATOM 0 H SER A 44 -13.212 -4.425 3.752 1.00 0.00 H new ATOM 0 HA SER A 44 -14.316 -3.944 5.627 1.00 0.00 H new ATOM 0 HB2 SER A 44 -15.650 -6.077 5.009 1.00 0.00 H new ATOM 0 HB3 SER A 44 -14.664 -6.911 6.194 1.00 0.00 H new ATOM 0 HG SER A 44 -15.379 -5.307 7.764 1.00 0.00 H new ATOM 629 N GLU A 45 -11.752 -4.389 6.577 1.00 0.00 N ATOM 630 CA GLU A 45 -10.685 -4.395 7.570 1.00 0.00 C ATOM 631 C GLU A 45 -9.848 -3.122 7.478 1.00 0.00 C ATOM 632 O GLU A 45 -9.380 -2.749 6.402 1.00 0.00 O ATOM 633 CB GLU A 45 -9.789 -5.621 7.381 1.00 0.00 C ATOM 634 CG GLU A 45 -8.555 -5.349 6.538 1.00 0.00 C ATOM 635 CD GLU A 45 -7.835 -6.620 6.131 1.00 0.00 C ATOM 636 OE1 GLU A 45 -7.452 -7.398 7.029 1.00 0.00 O ATOM 637 OE2 GLU A 45 -7.655 -6.837 4.914 1.00 0.00 O ATOM 0 H GLU A 45 -11.547 -3.842 5.741 1.00 0.00 H new ATOM 0 HA GLU A 45 -11.144 -4.437 8.558 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.477 -5.987 8.359 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -10.370 -6.416 6.914 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.845 -4.798 5.643 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.871 -4.711 7.098 1.00 0.00 H new ATOM 644 N THR A 46 -9.665 -2.458 8.615 1.00 0.00 N ATOM 645 CA THR A 46 -8.887 -1.226 8.664 1.00 0.00 C ATOM 646 C THR A 46 -7.391 -1.520 8.665 1.00 0.00 C ATOM 647 O THR A 46 -6.895 -2.261 9.514 1.00 0.00 O ATOM 648 CB THR A 46 -9.236 -0.391 9.910 1.00 0.00 C ATOM 649 OG1 THR A 46 -10.590 0.069 9.829 1.00 0.00 O ATOM 650 CG2 THR A 46 -8.298 0.800 10.043 1.00 0.00 C ATOM 0 H THR A 46 -10.045 -2.753 9.514 1.00 0.00 H new ATOM 0 HA THR A 46 -9.141 -0.656 7.771 1.00 0.00 H new ATOM 0 HB THR A 46 -9.120 -1.025 10.789 1.00 0.00 H new ATOM 0 HG1 THR A 46 -10.804 0.598 10.626 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.564 1.375 10.930 1.00 0.00 H new ATOM 0 HG22 THR A 46 -7.271 0.446 10.134 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.386 1.433 9.160 1.00 0.00 H new ATOM 658 N LEU A 47 -6.678 -0.935 7.709 1.00 0.00 N ATOM 659 CA LEU A 47 -5.237 -1.133 7.601 1.00 0.00 C ATOM 660 C LEU A 47 -4.478 0.039 8.214 1.00 0.00 C ATOM 661 O LEU A 47 -5.028 1.127 8.384 1.00 0.00 O ATOM 662 CB LEU A 47 -4.835 -1.304 6.135 1.00 0.00 C ATOM 663 CG LEU A 47 -5.739 -2.204 5.291 1.00 0.00 C ATOM 664 CD1 LEU A 47 -5.379 -2.092 3.818 1.00 0.00 C ATOM 665 CD2 LEU A 47 -5.640 -3.649 5.759 1.00 0.00 C ATOM 0 H LEU A 47 -7.074 -0.320 6.998 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.977 -2.037 8.151 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.802 -0.318 5.671 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.822 -1.706 6.101 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.770 -1.872 5.417 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -6.033 -2.739 3.233 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -5.503 -1.060 3.491 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.343 -2.396 3.673 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -6.290 -4.275 5.147 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.610 -3.993 5.663 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.949 -3.716 6.802 1.00 0.00 H new ATOM 677 N ARG A 48 -3.210 -0.190 8.543 1.00 0.00 N ATOM 678 CA ARG A 48 -2.375 0.847 9.136 1.00 0.00 C ATOM 679 C ARG A 48 -0.972 0.825 8.537 1.00 0.00 C ATOM 680 O ARG A 48 -0.609 -0.104 7.815 1.00 0.00 O ATOM 681 CB ARG A 48 -2.297 0.663 10.653 1.00 0.00 C ATOM 682 CG ARG A 48 -3.640 0.370 11.301 1.00 0.00 C ATOM 683 CD ARG A 48 -4.003 -1.102 11.191 1.00 0.00 C ATOM 684 NE ARG A 48 -5.133 -1.453 12.048 1.00 0.00 N ATOM 685 CZ ARG A 48 -5.012 -1.769 13.332 1.00 0.00 C ATOM 686 NH1 ARG A 48 -3.817 -1.778 13.906 1.00 0.00 N ATOM 687 NH2 ARG A 48 -6.088 -2.077 14.045 1.00 0.00 N ATOM 0 H ARG A 48 -2.739 -1.085 8.409 1.00 0.00 H new ATOM 0 HA ARG A 48 -2.829 1.813 8.917 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -1.610 -0.153 10.877 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -1.877 1.565 11.099 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -3.609 0.661 12.351 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -4.414 0.973 10.826 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -4.246 -1.339 10.155 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -3.140 -1.709 11.463 1.00 0.00 H new ATOM 0 HE ARG A 48 -6.067 -1.455 11.637 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -2.988 -1.542 13.361 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -3.727 -2.021 14.893 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -7.009 -2.071 13.607 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -5.994 -2.320 15.031 1.00 0.00 H new ATOM 701 N ASP A 49 -0.188 1.853 8.841 1.00 0.00 N ATOM 702 CA ASP A 49 1.175 1.952 8.333 1.00 0.00 C ATOM 703 C ASP A 49 2.137 1.144 9.199 1.00 0.00 C ATOM 704 O ASP A 49 2.167 1.296 10.419 1.00 0.00 O ATOM 705 CB ASP A 49 1.619 3.414 8.284 1.00 0.00 C ATOM 706 CG ASP A 49 3.117 3.570 8.457 1.00 0.00 C ATOM 707 OD1 ASP A 49 3.860 3.268 7.500 1.00 0.00 O ATOM 708 OD2 ASP A 49 3.548 3.995 9.550 1.00 0.00 O ATOM 0 H ASP A 49 -0.473 2.630 9.437 1.00 0.00 H new ATOM 0 HA ASP A 49 1.191 1.542 7.323 1.00 0.00 H new ATOM 0 HB2 ASP A 49 1.319 3.850 7.331 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.106 3.973 9.066 1.00 0.00 H new ATOM 713 N GLY A 50 2.922 0.283 8.558 1.00 0.00 N ATOM 714 CA GLY A 50 3.873 -0.537 9.285 1.00 0.00 C ATOM 715 C GLY A 50 5.015 -1.015 8.410 1.00 0.00 C ATOM 716 O GLY A 50 5.644 -0.221 7.710 1.00 0.00 O ATOM 0 H GLY A 50 2.916 0.139 7.548 1.00 0.00 H new ATOM 0 HA2 GLY A 50 4.275 0.034 10.122 1.00 0.00 H new ATOM 0 HA3 GLY A 50 3.357 -1.400 9.706 1.00 0.00 H new ATOM 720 N ASP A 51 5.283 -2.316 8.449 1.00 0.00 N ATOM 721 CA ASP A 51 6.358 -2.899 7.653 1.00 0.00 C ATOM 722 C ASP A 51 5.877 -3.215 6.240 1.00 0.00 C ATOM 723 O ASP A 51 6.458 -2.752 5.258 1.00 0.00 O ATOM 724 CB ASP A 51 6.885 -4.169 8.322 1.00 0.00 C ATOM 725 CG ASP A 51 8.340 -4.437 7.990 1.00 0.00 C ATOM 726 OD1 ASP A 51 8.769 -4.082 6.872 1.00 0.00 O ATOM 727 OD2 ASP A 51 9.049 -5.002 8.848 1.00 0.00 O ATOM 0 H ASP A 51 4.771 -2.986 9.023 1.00 0.00 H new ATOM 0 HA ASP A 51 7.166 -2.170 7.588 1.00 0.00 H new ATOM 0 HB2 ASP A 51 6.772 -4.081 9.403 1.00 0.00 H new ATOM 0 HB3 ASP A 51 6.281 -5.020 8.007 1.00 0.00 H new ATOM 732 N ARG A 52 4.815 -4.008 6.146 1.00 0.00 N ATOM 733 CA ARG A 52 4.258 -4.388 4.853 1.00 0.00 C ATOM 734 C ARG A 52 3.446 -3.244 4.253 1.00 0.00 C ATOM 735 O ARG A 52 3.530 -2.971 3.055 1.00 0.00 O ATOM 736 CB ARG A 52 3.378 -5.631 4.998 1.00 0.00 C ATOM 737 CG ARG A 52 4.160 -6.934 5.004 1.00 0.00 C ATOM 738 CD ARG A 52 3.308 -8.097 4.522 1.00 0.00 C ATOM 739 NE ARG A 52 2.567 -8.723 5.613 1.00 0.00 N ATOM 740 CZ ARG A 52 1.371 -8.311 6.020 1.00 0.00 C ATOM 741 NH1 ARG A 52 0.785 -7.279 5.428 1.00 0.00 N ATOM 742 NH2 ARG A 52 0.759 -8.931 7.021 1.00 0.00 N ATOM 0 H ARG A 52 4.323 -4.400 6.949 1.00 0.00 H new ATOM 0 HA ARG A 52 5.086 -4.614 4.181 1.00 0.00 H new ATOM 0 HB2 ARG A 52 2.807 -5.556 5.923 1.00 0.00 H new ATOM 0 HB3 ARG A 52 2.658 -5.653 4.180 1.00 0.00 H new ATOM 0 HG2 ARG A 52 5.038 -6.836 4.366 1.00 0.00 H new ATOM 0 HG3 ARG A 52 4.520 -7.139 6.012 1.00 0.00 H new ATOM 0 HD2 ARG A 52 2.608 -7.744 3.765 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.946 -8.840 4.044 1.00 0.00 H new ATOM 0 HE ARG A 52 2.990 -9.520 6.089 1.00 0.00 H new ATOM 0 HH11 ARG A 52 1.252 -6.800 4.658 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -0.133 -6.965 5.742 1.00 0.00 H new ATOM 0 HH21 ARG A 52 1.207 -9.725 7.479 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -0.159 -8.614 7.332 1.00 0.00 H new ATOM 756 N TYR A 53 2.660 -2.579 5.093 1.00 0.00 N ATOM 757 CA TYR A 53 1.831 -1.467 4.645 1.00 0.00 C ATOM 758 C TYR A 53 2.551 -0.136 4.843 1.00 0.00 C ATOM 759 O TYR A 53 3.240 0.067 5.843 1.00 0.00 O ATOM 760 CB TYR A 53 0.501 -1.458 5.401 1.00 0.00 C ATOM 761 CG TYR A 53 -0.312 -2.718 5.211 1.00 0.00 C ATOM 762 CD1 TYR A 53 -1.091 -2.901 4.074 1.00 0.00 C ATOM 763 CD2 TYR A 53 -0.303 -3.726 6.167 1.00 0.00 C ATOM 764 CE1 TYR A 53 -1.836 -4.050 3.896 1.00 0.00 C ATOM 765 CE2 TYR A 53 -1.044 -4.879 5.996 1.00 0.00 C ATOM 766 CZ TYR A 53 -1.809 -5.037 4.860 1.00 0.00 C ATOM 767 OH TYR A 53 -2.550 -6.183 4.687 1.00 0.00 O ATOM 0 H TYR A 53 2.580 -2.791 6.088 1.00 0.00 H new ATOM 0 HA TYR A 53 1.635 -1.599 3.581 1.00 0.00 H new ATOM 0 HB2 TYR A 53 0.698 -1.320 6.464 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -0.089 -0.602 5.072 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -1.114 -2.131 3.317 1.00 0.00 H new ATOM 0 HD2 TYR A 53 0.294 -3.606 7.059 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -2.437 -4.175 3.007 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -1.024 -5.653 6.749 1.00 0.00 H new ATOM 0 HH TYR A 53 -2.419 -6.776 5.456 1.00 0.00 H new ATOM 777 N SER A 54 2.384 0.768 3.883 1.00 0.00 N ATOM 778 CA SER A 54 3.020 2.078 3.949 1.00 0.00 C ATOM 779 C SER A 54 2.042 3.177 3.545 1.00 0.00 C ATOM 780 O SER A 54 1.783 3.389 2.360 1.00 0.00 O ATOM 781 CB SER A 54 4.252 2.118 3.043 1.00 0.00 C ATOM 782 OG SER A 54 4.839 0.833 2.924 1.00 0.00 O ATOM 0 H SER A 54 1.814 0.617 3.051 1.00 0.00 H new ATOM 0 HA SER A 54 3.331 2.252 4.979 1.00 0.00 H new ATOM 0 HB2 SER A 54 3.970 2.485 2.056 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.982 2.819 3.447 1.00 0.00 H new ATOM 0 HG SER A 54 5.623 0.885 2.339 1.00 0.00 H new ATOM 788 N LEU A 55 1.501 3.874 4.539 1.00 0.00 N ATOM 789 CA LEU A 55 0.551 4.952 4.289 1.00 0.00 C ATOM 790 C LEU A 55 1.247 6.309 4.319 1.00 0.00 C ATOM 791 O LEU A 55 1.812 6.706 5.339 1.00 0.00 O ATOM 792 CB LEU A 55 -0.572 4.919 5.326 1.00 0.00 C ATOM 793 CG LEU A 55 -0.936 3.540 5.878 1.00 0.00 C ATOM 794 CD1 LEU A 55 -1.777 3.675 7.138 1.00 0.00 C ATOM 795 CD2 LEU A 55 -1.673 2.723 4.827 1.00 0.00 C ATOM 0 H LEU A 55 1.704 3.712 5.525 1.00 0.00 H new ATOM 0 HA LEU A 55 0.125 4.805 3.297 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.287 5.559 6.161 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.465 5.357 4.879 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.015 3.017 6.135 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.027 2.684 7.517 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.214 4.221 7.895 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.694 4.217 6.907 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -1.924 1.745 5.237 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -2.587 3.241 4.539 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -1.036 2.597 3.952 1.00 0.00 H new ATOM 807 N ARG A 56 1.200 7.018 3.195 1.00 0.00 N ATOM 808 CA ARG A 56 1.826 8.331 3.094 1.00 0.00 C ATOM 809 C ARG A 56 0.783 9.408 2.808 1.00 0.00 C ATOM 810 O ARG A 56 -0.401 9.113 2.652 1.00 0.00 O ATOM 811 CB ARG A 56 2.888 8.330 1.993 1.00 0.00 C ATOM 812 CG ARG A 56 3.882 7.185 2.108 1.00 0.00 C ATOM 813 CD ARG A 56 4.989 7.505 3.100 1.00 0.00 C ATOM 814 NE ARG A 56 5.683 8.745 2.764 1.00 0.00 N ATOM 815 CZ ARG A 56 6.751 9.190 3.417 1.00 0.00 C ATOM 816 NH1 ARG A 56 7.244 8.499 4.436 1.00 0.00 N ATOM 817 NH2 ARG A 56 7.328 10.328 3.052 1.00 0.00 N ATOM 0 H ARG A 56 0.735 6.705 2.343 1.00 0.00 H new ATOM 0 HA ARG A 56 2.303 8.554 4.049 1.00 0.00 H new ATOM 0 HB2 ARG A 56 2.394 8.275 1.023 1.00 0.00 H new ATOM 0 HB3 ARG A 56 3.430 9.275 2.022 1.00 0.00 H new ATOM 0 HG2 ARG A 56 3.361 6.280 2.422 1.00 0.00 H new ATOM 0 HG3 ARG A 56 4.317 6.980 1.130 1.00 0.00 H new ATOM 0 HD2 ARG A 56 4.566 7.586 4.101 1.00 0.00 H new ATOM 0 HD3 ARG A 56 5.705 6.683 3.122 1.00 0.00 H new ATOM 0 HE ARG A 56 5.328 9.300 1.985 1.00 0.00 H new ATOM 0 HH11 ARG A 56 6.803 7.624 4.720 1.00 0.00 H new ATOM 0 HH12 ARG A 56 8.064 8.842 4.936 1.00 0.00 H new ATOM 0 HH21 ARG A 56 6.952 10.862 2.269 1.00 0.00 H new ATOM 0 HH22 ARG A 56 8.148 10.668 3.554 1.00 0.00 H new ATOM 831 N GLN A 57 1.234 10.657 2.742 1.00 0.00 N ATOM 832 CA GLN A 57 0.340 11.778 2.476 1.00 0.00 C ATOM 833 C GLN A 57 1.130 13.062 2.247 1.00 0.00 C ATOM 834 O GLN A 57 2.065 13.367 2.987 1.00 0.00 O ATOM 835 CB GLN A 57 -0.636 11.966 3.639 1.00 0.00 C ATOM 836 CG GLN A 57 -1.718 12.997 3.364 1.00 0.00 C ATOM 837 CD GLN A 57 -2.499 13.370 4.609 1.00 0.00 C ATOM 838 OE1 GLN A 57 -1.929 13.825 5.601 1.00 0.00 O ATOM 839 NE2 GLN A 57 -3.813 13.178 4.564 1.00 0.00 N ATOM 0 H GLN A 57 2.212 10.918 2.869 1.00 0.00 H new ATOM 0 HA GLN A 57 -0.224 11.554 1.570 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -1.107 11.009 3.866 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -0.078 12.265 4.526 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -1.262 13.893 2.944 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -2.404 12.606 2.613 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -4.244 12.798 3.721 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -4.390 13.410 5.372 1.00 0.00 H new ATOM 848 N ASP A 58 0.748 13.810 1.218 1.00 0.00 N ATOM 849 CA ASP A 58 1.421 15.062 0.891 1.00 0.00 C ATOM 850 C ASP A 58 0.422 16.213 0.822 1.00 0.00 C ATOM 851 O ASP A 58 0.159 16.757 -0.250 1.00 0.00 O ATOM 852 CB ASP A 58 2.164 14.935 -0.439 1.00 0.00 C ATOM 853 CG ASP A 58 3.336 15.891 -0.541 1.00 0.00 C ATOM 854 OD1 ASP A 58 4.045 16.071 0.471 1.00 0.00 O ATOM 855 OD2 ASP A 58 3.545 16.459 -1.634 1.00 0.00 O ATOM 0 H ASP A 58 -0.024 13.571 0.596 1.00 0.00 H new ATOM 0 HA ASP A 58 2.141 15.276 1.681 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.522 13.912 -0.556 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.471 15.126 -1.259 1.00 0.00 H new ATOM 860 N GLY A 59 -0.133 16.579 1.973 1.00 0.00 N ATOM 861 CA GLY A 59 -1.098 17.662 2.021 1.00 0.00 C ATOM 862 C GLY A 59 -2.524 17.176 1.858 1.00 0.00 C ATOM 863 O GLY A 59 -3.226 16.944 2.843 1.00 0.00 O ATOM 0 H GLY A 59 0.068 16.145 2.874 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -1.003 18.187 2.971 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -0.871 18.382 1.235 1.00 0.00 H new ATOM 867 N THR A 60 -2.956 17.022 0.610 1.00 0.00 N ATOM 868 CA THR A 60 -4.309 16.564 0.321 1.00 0.00 C ATOM 869 C THR A 60 -4.296 15.178 -0.315 1.00 0.00 C ATOM 870 O THR A 60 -5.283 14.445 -0.251 1.00 0.00 O ATOM 871 CB THR A 60 -5.045 17.539 -0.617 1.00 0.00 C ATOM 872 OG1 THR A 60 -4.156 17.996 -1.644 1.00 0.00 O ATOM 873 CG2 THR A 60 -5.586 18.731 0.158 1.00 0.00 C ATOM 0 H THR A 60 -2.388 17.208 -0.217 1.00 0.00 H new ATOM 0 HA THR A 60 -4.837 16.520 1.273 1.00 0.00 H new ATOM 0 HB THR A 60 -5.883 17.009 -1.070 1.00 0.00 H new ATOM 0 HG1 THR A 60 -4.632 18.614 -2.237 1.00 0.00 H new ATOM 0 HG21 THR A 60 -6.102 19.406 -0.525 1.00 0.00 H new ATOM 0 HG22 THR A 60 -6.284 18.383 0.920 1.00 0.00 H new ATOM 0 HG23 THR A 60 -4.761 19.259 0.636 1.00 0.00 H new ATOM 881 N LYS A 61 -3.171 14.824 -0.927 1.00 0.00 N ATOM 882 CA LYS A 61 -3.028 13.525 -1.573 1.00 0.00 C ATOM 883 C LYS A 61 -2.580 12.465 -0.571 1.00 0.00 C ATOM 884 O LYS A 61 -1.868 12.766 0.388 1.00 0.00 O ATOM 885 CB LYS A 61 -2.021 13.612 -2.723 1.00 0.00 C ATOM 886 CG LYS A 61 -2.570 14.303 -3.960 1.00 0.00 C ATOM 887 CD LYS A 61 -1.638 14.139 -5.149 1.00 0.00 C ATOM 888 CE LYS A 61 -2.373 14.341 -6.465 1.00 0.00 C ATOM 889 NZ LYS A 61 -3.327 13.232 -6.744 1.00 0.00 N ATOM 0 H LYS A 61 -2.345 15.419 -0.989 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.001 13.236 -1.971 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -1.136 14.148 -2.380 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -1.700 12.605 -2.991 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.549 13.891 -4.204 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -2.714 15.363 -3.752 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.821 14.856 -5.074 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -1.192 13.145 -5.129 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -2.914 15.287 -6.437 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -1.650 14.411 -7.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -2.982 12.671 -7.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -3.405 12.622 -5.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -4.261 13.627 -6.973 1.00 0.00 H new ATOM 903 N CYS A 62 -3.000 11.226 -0.800 1.00 0.00 N ATOM 904 CA CYS A 62 -2.641 10.122 0.082 1.00 0.00 C ATOM 905 C CYS A 62 -2.062 8.956 -0.713 1.00 0.00 C ATOM 906 O CYS A 62 -2.172 8.913 -1.938 1.00 0.00 O ATOM 907 CB CYS A 62 -3.863 9.658 0.875 1.00 0.00 C ATOM 908 SG CYS A 62 -4.646 10.961 1.854 1.00 0.00 S ATOM 0 H CYS A 62 -3.590 10.961 -1.589 1.00 0.00 H new ATOM 0 HA CYS A 62 -1.880 10.477 0.776 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -4.598 9.247 0.182 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -3.565 8.848 1.540 1.00 0.00 H new ATOM 0 HG CYS A 62 -4.442 10.736 3.118 1.00 0.00 H new ATOM 914 N GLU A 63 -1.446 8.013 -0.007 1.00 0.00 N ATOM 915 CA GLU A 63 -0.848 6.848 -0.649 1.00 0.00 C ATOM 916 C GLU A 63 -0.809 5.660 0.308 1.00 0.00 C ATOM 917 O GLU A 63 -0.752 5.831 1.527 1.00 0.00 O ATOM 918 CB GLU A 63 0.566 7.174 -1.132 1.00 0.00 C ATOM 919 CG GLU A 63 1.359 5.951 -1.562 1.00 0.00 C ATOM 920 CD GLU A 63 2.808 6.275 -1.872 1.00 0.00 C ATOM 921 OE1 GLU A 63 3.057 7.309 -2.526 1.00 0.00 O ATOM 922 OE2 GLU A 63 3.692 5.494 -1.460 1.00 0.00 O ATOM 0 H GLU A 63 -1.348 8.033 1.008 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.465 6.581 -1.507 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.504 7.869 -1.969 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.105 7.684 -0.334 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.319 5.201 -0.772 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.892 5.511 -2.443 1.00 0.00 H new ATOM 929 N LEU A 64 -0.841 4.456 -0.251 1.00 0.00 N ATOM 930 CA LEU A 64 -0.810 3.238 0.551 1.00 0.00 C ATOM 931 C LEU A 64 -0.173 2.090 -0.226 1.00 0.00 C ATOM 932 O LEU A 64 -0.742 1.596 -1.199 1.00 0.00 O ATOM 933 CB LEU A 64 -2.226 2.852 0.984 1.00 0.00 C ATOM 934 CG LEU A 64 -2.400 1.432 1.523 1.00 0.00 C ATOM 935 CD1 LEU A 64 -2.563 0.443 0.379 1.00 0.00 C ATOM 936 CD2 LEU A 64 -1.217 1.046 2.399 1.00 0.00 C ATOM 0 H LEU A 64 -0.888 4.297 -1.257 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.206 3.432 1.437 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.553 3.553 1.752 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.893 2.979 0.131 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.303 1.403 2.132 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.686 -0.562 0.782 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.442 0.708 -0.209 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.678 0.474 -0.257 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.358 0.032 2.774 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.300 1.092 1.812 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.145 1.737 3.239 1.00 0.00 H new ATOM 948 N GLN A 65 1.008 1.669 0.214 1.00 0.00 N ATOM 949 CA GLN A 65 1.721 0.578 -0.440 1.00 0.00 C ATOM 950 C GLN A 65 1.473 -0.743 0.280 1.00 0.00 C ATOM 951 O GLN A 65 1.261 -0.770 1.493 1.00 0.00 O ATOM 952 CB GLN A 65 3.222 0.874 -0.483 1.00 0.00 C ATOM 953 CG GLN A 65 3.654 1.647 -1.719 1.00 0.00 C ATOM 954 CD GLN A 65 5.018 2.288 -1.559 1.00 0.00 C ATOM 955 OE1 GLN A 65 6.022 1.770 -2.048 1.00 0.00 O ATOM 956 NE2 GLN A 65 5.062 3.423 -0.870 1.00 0.00 N ATOM 0 H GLN A 65 1.491 2.066 1.020 1.00 0.00 H new ATOM 0 HA GLN A 65 1.345 0.492 -1.460 1.00 0.00 H new ATOM 0 HB2 GLN A 65 3.498 1.442 0.405 1.00 0.00 H new ATOM 0 HB3 GLN A 65 3.771 -0.067 -0.443 1.00 0.00 H new ATOM 0 HG2 GLN A 65 3.671 0.974 -2.576 1.00 0.00 H new ATOM 0 HG3 GLN A 65 2.917 2.420 -1.936 1.00 0.00 H new ATOM 0 HE21 GLN A 65 4.205 3.818 -0.482 1.00 0.00 H new ATOM 0 HE22 GLN A 65 5.953 3.900 -0.729 1.00 0.00 H new ATOM 965 N ILE A 66 1.499 -1.837 -0.475 1.00 0.00 N ATOM 966 CA ILE A 66 1.277 -3.161 0.092 1.00 0.00 C ATOM 967 C ILE A 66 2.401 -4.118 -0.290 1.00 0.00 C ATOM 968 O ILE A 66 2.361 -4.750 -1.345 1.00 0.00 O ATOM 969 CB ILE A 66 -0.067 -3.754 -0.373 1.00 0.00 C ATOM 970 CG1 ILE A 66 -1.216 -2.808 -0.019 1.00 0.00 C ATOM 971 CG2 ILE A 66 -0.287 -5.123 0.255 1.00 0.00 C ATOM 972 CD1 ILE A 66 -2.432 -2.979 -0.902 1.00 0.00 C ATOM 0 H ILE A 66 1.672 -1.832 -1.480 1.00 0.00 H new ATOM 0 HA ILE A 66 1.257 -3.041 1.175 1.00 0.00 H new ATOM 0 HB ILE A 66 -0.040 -3.873 -1.456 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -1.505 -2.972 1.019 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -0.865 -1.779 -0.093 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -1.240 -5.529 -0.083 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.519 -5.794 -0.043 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -0.297 -5.028 1.341 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.207 -2.277 -0.594 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.158 -2.786 -1.939 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.808 -3.998 -0.810 1.00 0.00 H new ATOM 984 N ARG A 67 3.403 -4.220 0.577 1.00 0.00 N ATOM 985 CA ARG A 67 4.539 -5.101 0.332 1.00 0.00 C ATOM 986 C ARG A 67 4.161 -6.558 0.582 1.00 0.00 C ATOM 987 O ARG A 67 3.521 -6.881 1.582 1.00 0.00 O ATOM 988 CB ARG A 67 5.718 -4.708 1.224 1.00 0.00 C ATOM 989 CG ARG A 67 6.466 -3.478 0.738 1.00 0.00 C ATOM 990 CD ARG A 67 7.387 -2.925 1.814 1.00 0.00 C ATOM 991 NE ARG A 67 8.476 -2.132 1.248 1.00 0.00 N ATOM 992 CZ ARG A 67 9.636 -1.932 1.864 1.00 0.00 C ATOM 993 NH1 ARG A 67 9.857 -2.463 3.058 1.00 0.00 N ATOM 994 NH2 ARG A 67 10.578 -1.198 1.284 1.00 0.00 N ATOM 0 H ARG A 67 3.451 -3.704 1.455 1.00 0.00 H new ATOM 0 HA ARG A 67 4.831 -4.994 -0.713 1.00 0.00 H new ATOM 0 HB2 ARG A 67 5.353 -4.525 2.235 1.00 0.00 H new ATOM 0 HB3 ARG A 67 6.413 -5.546 1.283 1.00 0.00 H new ATOM 0 HG2 ARG A 67 7.050 -3.732 -0.147 1.00 0.00 H new ATOM 0 HG3 ARG A 67 5.752 -2.711 0.439 1.00 0.00 H new ATOM 0 HD2 ARG A 67 6.810 -2.309 2.503 1.00 0.00 H new ATOM 0 HD3 ARG A 67 7.802 -3.749 2.394 1.00 0.00 H new ATOM 0 HE ARG A 67 8.338 -1.709 0.330 1.00 0.00 H new ATOM 0 HH11 ARG A 67 9.135 -3.027 3.507 1.00 0.00 H new ATOM 0 HH12 ARG A 67 10.749 -2.308 3.528 1.00 0.00 H new ATOM 0 HH21 ARG A 67 10.411 -0.787 0.365 1.00 0.00 H new ATOM 0 HH22 ARG A 67 11.469 -1.045 1.757 1.00 0.00 H new ATOM 1008 N GLY A 68 4.562 -7.434 -0.335 1.00 0.00 N ATOM 1009 CA GLY A 68 4.256 -8.845 -0.196 1.00 0.00 C ATOM 1010 C GLY A 68 2.976 -9.234 -0.909 1.00 0.00 C ATOM 1011 O GLY A 68 2.163 -9.989 -0.374 1.00 0.00 O ATOM 0 H GLY A 68 5.093 -7.191 -1.171 1.00 0.00 H new ATOM 0 HA2 GLY A 68 5.083 -9.434 -0.593 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.168 -9.092 0.862 1.00 0.00 H new ATOM 1015 N LEU A 69 2.794 -8.717 -2.119 1.00 0.00 N ATOM 1016 CA LEU A 69 1.602 -9.013 -2.906 1.00 0.00 C ATOM 1017 C LEU A 69 1.510 -10.504 -3.216 1.00 0.00 C ATOM 1018 O LEU A 69 2.312 -11.039 -3.981 1.00 0.00 O ATOM 1019 CB LEU A 69 1.615 -8.210 -4.208 1.00 0.00 C ATOM 1020 CG LEU A 69 1.163 -6.753 -4.102 1.00 0.00 C ATOM 1021 CD1 LEU A 69 1.360 -6.035 -5.428 1.00 0.00 C ATOM 1022 CD2 LEU A 69 -0.293 -6.676 -3.664 1.00 0.00 C ATOM 0 H LEU A 69 3.457 -8.091 -2.577 1.00 0.00 H new ATOM 0 HA LEU A 69 0.729 -8.728 -2.319 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.627 -8.227 -4.612 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.975 -8.717 -4.930 1.00 0.00 H new ATOM 0 HG LEU A 69 1.775 -6.257 -3.349 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.033 -5.000 -5.333 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.415 -6.059 -5.701 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.774 -6.531 -6.201 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.597 -5.632 -3.594 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.920 -7.188 -4.394 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.406 -7.153 -2.690 1.00 0.00 H new ATOM 1034 N ALA A 70 0.526 -11.168 -2.618 1.00 0.00 N ATOM 1035 CA ALA A 70 0.327 -12.595 -2.833 1.00 0.00 C ATOM 1036 C ALA A 70 -1.120 -12.897 -3.208 1.00 0.00 C ATOM 1037 O ALA A 70 -2.011 -12.075 -2.994 1.00 0.00 O ATOM 1038 CB ALA A 70 0.727 -13.377 -1.591 1.00 0.00 C ATOM 0 H ALA A 70 -0.146 -10.740 -1.981 1.00 0.00 H new ATOM 0 HA ALA A 70 0.962 -12.904 -3.663 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.573 -14.442 -1.766 1.00 0.00 H new ATOM 0 HB2 ALA A 70 1.778 -13.194 -1.369 1.00 0.00 H new ATOM 0 HB3 ALA A 70 0.117 -13.056 -0.747 1.00 0.00 H new ATOM 1044 N MET A 71 -1.347 -14.081 -3.769 1.00 0.00 N ATOM 1045 CA MET A 71 -2.687 -14.490 -4.172 1.00 0.00 C ATOM 1046 C MET A 71 -3.712 -14.126 -3.103 1.00 0.00 C ATOM 1047 O MET A 71 -4.853 -13.788 -3.414 1.00 0.00 O ATOM 1048 CB MET A 71 -2.724 -15.996 -4.440 1.00 0.00 C ATOM 1049 CG MET A 71 -2.026 -16.402 -5.728 1.00 0.00 C ATOM 1050 SD MET A 71 -3.138 -16.409 -7.147 1.00 0.00 S ATOM 1051 CE MET A 71 -2.801 -14.796 -7.849 1.00 0.00 C ATOM 0 H MET A 71 -0.621 -14.773 -3.954 1.00 0.00 H new ATOM 0 HA MET A 71 -2.942 -13.959 -5.089 1.00 0.00 H new ATOM 0 HB2 MET A 71 -2.257 -16.517 -3.604 1.00 0.00 H new ATOM 0 HB3 MET A 71 -3.763 -16.324 -4.480 1.00 0.00 H new ATOM 0 HG2 MET A 71 -1.201 -15.717 -5.921 1.00 0.00 H new ATOM 0 HG3 MET A 71 -1.594 -17.395 -5.605 1.00 0.00 H new ATOM 0 HE1 MET A 71 -3.070 -14.795 -8.905 1.00 0.00 H new ATOM 0 HE2 MET A 71 -3.387 -14.041 -7.325 1.00 0.00 H new ATOM 0 HE3 MET A 71 -1.740 -14.568 -7.745 1.00 0.00 H new ATOM 1061 N ALA A 72 -3.297 -14.199 -1.843 1.00 0.00 N ATOM 1062 CA ALA A 72 -4.179 -13.875 -0.728 1.00 0.00 C ATOM 1063 C ALA A 72 -4.479 -12.381 -0.682 1.00 0.00 C ATOM 1064 O ALA A 72 -5.621 -11.973 -0.470 1.00 0.00 O ATOM 1065 CB ALA A 72 -3.560 -14.332 0.584 1.00 0.00 C ATOM 0 H ALA A 72 -2.356 -14.480 -1.568 1.00 0.00 H new ATOM 0 HA ALA A 72 -5.121 -14.403 -0.876 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -4.229 -14.084 1.408 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -3.403 -15.410 0.556 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -2.604 -13.830 0.729 1.00 0.00 H new ATOM 1071 N ASP A 73 -3.446 -11.568 -0.879 1.00 0.00 N ATOM 1072 CA ASP A 73 -3.599 -10.118 -0.860 1.00 0.00 C ATOM 1073 C ASP A 73 -4.666 -9.671 -1.855 1.00 0.00 C ATOM 1074 O ASP A 73 -5.375 -8.692 -1.623 1.00 0.00 O ATOM 1075 CB ASP A 73 -2.267 -9.439 -1.182 1.00 0.00 C ATOM 1076 CG ASP A 73 -1.180 -9.796 -0.187 1.00 0.00 C ATOM 1077 OD1 ASP A 73 -1.037 -10.995 0.129 1.00 0.00 O ATOM 1078 OD2 ASP A 73 -0.474 -8.875 0.276 1.00 0.00 O ATOM 0 H ASP A 73 -2.494 -11.889 -1.054 1.00 0.00 H new ATOM 0 HA ASP A 73 -3.915 -9.824 0.141 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -1.948 -9.728 -2.183 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -2.406 -8.358 -1.191 1.00 0.00 H new ATOM 1083 N THR A 74 -4.774 -10.396 -2.964 1.00 0.00 N ATOM 1084 CA THR A 74 -5.752 -10.073 -3.996 1.00 0.00 C ATOM 1085 C THR A 74 -7.123 -9.801 -3.388 1.00 0.00 C ATOM 1086 O THR A 74 -7.819 -10.723 -2.965 1.00 0.00 O ATOM 1087 CB THR A 74 -5.876 -11.210 -5.027 1.00 0.00 C ATOM 1088 OG1 THR A 74 -4.597 -11.490 -5.605 1.00 0.00 O ATOM 1089 CG2 THR A 74 -6.864 -10.840 -6.124 1.00 0.00 C ATOM 0 H THR A 74 -4.196 -11.211 -3.171 1.00 0.00 H new ATOM 0 HA THR A 74 -5.396 -9.174 -4.499 1.00 0.00 H new ATOM 0 HB THR A 74 -6.243 -12.098 -4.513 1.00 0.00 H new ATOM 0 HG1 THR A 74 -4.685 -12.215 -6.258 1.00 0.00 H new ATOM 0 HG21 THR A 74 -6.935 -11.658 -6.841 1.00 0.00 H new ATOM 0 HG22 THR A 74 -7.844 -10.657 -5.684 1.00 0.00 H new ATOM 0 HG23 THR A 74 -6.521 -9.940 -6.634 1.00 0.00 H new ATOM 1097 N GLY A 75 -7.505 -8.528 -3.347 1.00 0.00 N ATOM 1098 CA GLY A 75 -8.793 -8.158 -2.789 1.00 0.00 C ATOM 1099 C GLY A 75 -9.217 -6.758 -3.187 1.00 0.00 C ATOM 1100 O GLY A 75 -8.805 -6.252 -4.231 1.00 0.00 O ATOM 0 H GLY A 75 -6.946 -7.747 -3.690 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -9.548 -8.871 -3.121 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -8.747 -8.225 -1.702 1.00 0.00 H new ATOM 1104 N GLU A 76 -10.043 -6.132 -2.355 1.00 0.00 N ATOM 1105 CA GLU A 76 -10.524 -4.783 -2.629 1.00 0.00 C ATOM 1106 C GLU A 76 -10.176 -3.838 -1.483 1.00 0.00 C ATOM 1107 O GLU A 76 -10.445 -4.132 -0.318 1.00 0.00 O ATOM 1108 CB GLU A 76 -12.038 -4.794 -2.853 1.00 0.00 C ATOM 1109 CG GLU A 76 -12.650 -3.406 -2.938 1.00 0.00 C ATOM 1110 CD GLU A 76 -14.143 -3.442 -3.201 1.00 0.00 C ATOM 1111 OE1 GLU A 76 -14.590 -4.327 -3.960 1.00 0.00 O ATOM 1112 OE2 GLU A 76 -14.864 -2.585 -2.648 1.00 0.00 O ATOM 0 H GLU A 76 -10.393 -6.537 -1.487 1.00 0.00 H new ATOM 0 HA GLU A 76 -10.032 -4.426 -3.534 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -12.257 -5.336 -3.773 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -12.513 -5.342 -2.040 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -12.462 -2.872 -2.006 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -12.158 -2.844 -3.732 1.00 0.00 H new ATOM 1119 N TYR A 77 -9.575 -2.703 -1.822 1.00 0.00 N ATOM 1120 CA TYR A 77 -9.186 -1.715 -0.822 1.00 0.00 C ATOM 1121 C TYR A 77 -10.009 -0.439 -0.969 1.00 0.00 C ATOM 1122 O TYR A 77 -10.318 -0.010 -2.080 1.00 0.00 O ATOM 1123 CB TYR A 77 -7.696 -1.392 -0.946 1.00 0.00 C ATOM 1124 CG TYR A 77 -6.798 -2.593 -0.752 1.00 0.00 C ATOM 1125 CD1 TYR A 77 -6.723 -3.592 -1.715 1.00 0.00 C ATOM 1126 CD2 TYR A 77 -6.025 -2.729 0.395 1.00 0.00 C ATOM 1127 CE1 TYR A 77 -5.904 -4.691 -1.541 1.00 0.00 C ATOM 1128 CE2 TYR A 77 -5.203 -3.824 0.576 1.00 0.00 C ATOM 1129 CZ TYR A 77 -5.146 -4.802 -0.395 1.00 0.00 C ATOM 1130 OH TYR A 77 -4.329 -5.895 -0.217 1.00 0.00 O ATOM 0 H TYR A 77 -9.346 -2.444 -2.782 1.00 0.00 H new ATOM 0 HA TYR A 77 -9.378 -2.138 0.164 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -7.507 -0.962 -1.930 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -7.435 -0.631 -0.210 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -7.315 -3.508 -2.614 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -6.068 -1.966 1.158 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -5.858 -5.459 -2.299 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -4.608 -3.914 1.473 1.00 0.00 H new ATOM 0 HH TYR A 77 -4.716 -6.671 -0.674 1.00 0.00 H new ATOM 1140 N SER A 78 -10.360 0.164 0.163 1.00 0.00 N ATOM 1141 CA SER A 78 -11.149 1.390 0.162 1.00 0.00 C ATOM 1142 C SER A 78 -10.535 2.432 1.092 1.00 0.00 C ATOM 1143 O SER A 78 -10.360 2.189 2.286 1.00 0.00 O ATOM 1144 CB SER A 78 -12.588 1.095 0.589 1.00 0.00 C ATOM 1145 OG SER A 78 -13.120 -0.001 -0.135 1.00 0.00 O ATOM 0 H SER A 78 -10.110 -0.177 1.092 1.00 0.00 H new ATOM 0 HA SER A 78 -11.152 1.790 -0.852 1.00 0.00 H new ATOM 0 HB2 SER A 78 -12.617 0.878 1.657 1.00 0.00 H new ATOM 0 HB3 SER A 78 -13.207 1.977 0.426 1.00 0.00 H new ATOM 0 HG SER A 78 -14.040 -0.171 0.157 1.00 0.00 H new ATOM 1151 N CYS A 79 -10.208 3.593 0.535 1.00 0.00 N ATOM 1152 CA CYS A 79 -9.612 4.674 1.313 1.00 0.00 C ATOM 1153 C CYS A 79 -10.687 5.610 1.856 1.00 0.00 C ATOM 1154 O CYS A 79 -11.278 6.392 1.112 1.00 0.00 O ATOM 1155 CB CYS A 79 -8.620 5.460 0.455 1.00 0.00 C ATOM 1156 SG CYS A 79 -7.298 6.256 1.397 1.00 0.00 S ATOM 0 H CYS A 79 -10.345 3.810 -0.452 1.00 0.00 H new ATOM 0 HA CYS A 79 -9.081 4.232 2.156 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -8.175 4.786 -0.277 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -9.163 6.222 -0.103 1.00 0.00 H new ATOM 0 HG CYS A 79 -6.171 5.655 1.155 1.00 0.00 H new ATOM 1162 N VAL A 80 -10.937 5.523 3.159 1.00 0.00 N ATOM 1163 CA VAL A 80 -11.941 6.361 3.803 1.00 0.00 C ATOM 1164 C VAL A 80 -11.316 7.632 4.368 1.00 0.00 C ATOM 1165 O VAL A 80 -10.184 7.616 4.853 1.00 0.00 O ATOM 1166 CB VAL A 80 -12.658 5.607 4.937 1.00 0.00 C ATOM 1167 CG1 VAL A 80 -13.976 6.285 5.280 1.00 0.00 C ATOM 1168 CG2 VAL A 80 -12.883 4.152 4.551 1.00 0.00 C ATOM 0 H VAL A 80 -10.457 4.880 3.789 1.00 0.00 H new ATOM 0 HA VAL A 80 -12.669 6.627 3.037 1.00 0.00 H new ATOM 0 HB VAL A 80 -12.023 5.631 5.823 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -14.468 5.738 6.084 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -13.786 7.309 5.602 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -14.620 6.295 4.400 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -13.391 3.634 5.365 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -13.497 4.105 3.652 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -11.922 3.673 4.360 1.00 0.00 H new ATOM 1178 N CYS A 81 -12.060 8.730 4.302 1.00 0.00 N ATOM 1179 CA CYS A 81 -11.578 10.011 4.807 1.00 0.00 C ATOM 1180 C CYS A 81 -12.628 10.676 5.691 1.00 0.00 C ATOM 1181 O CYS A 81 -12.805 11.893 5.654 1.00 0.00 O ATOM 1182 CB CYS A 81 -11.212 10.936 3.645 1.00 0.00 C ATOM 1183 SG CYS A 81 -12.637 11.584 2.740 1.00 0.00 S ATOM 0 H CYS A 81 -12.999 8.759 3.904 1.00 0.00 H new ATOM 0 HA CYS A 81 -10.688 9.825 5.408 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -10.629 11.772 4.030 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -10.570 10.393 2.951 1.00 0.00 H new ATOM 0 HG CYS A 81 -12.794 10.911 1.639 1.00 0.00 H new ATOM 1189 N GLY A 82 -13.323 9.867 6.486 1.00 0.00 N ATOM 1190 CA GLY A 82 -14.348 10.395 7.367 1.00 0.00 C ATOM 1191 C GLY A 82 -15.717 9.809 7.081 1.00 0.00 C ATOM 1192 O GLY A 82 -16.191 8.940 7.813 1.00 0.00 O ATOM 0 H GLY A 82 -13.194 8.856 6.535 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -14.076 10.187 8.402 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -14.391 11.479 7.261 1.00 0.00 H new ATOM 1196 N GLN A 83 -16.352 10.286 6.016 1.00 0.00 N ATOM 1197 CA GLN A 83 -17.676 9.804 5.638 1.00 0.00 C ATOM 1198 C GLN A 83 -17.629 9.085 4.293 1.00 0.00 C ATOM 1199 O GLN A 83 -18.187 7.999 4.141 1.00 0.00 O ATOM 1200 CB GLN A 83 -18.666 10.968 5.573 1.00 0.00 C ATOM 1201 CG GLN A 83 -19.343 11.265 6.902 1.00 0.00 C ATOM 1202 CD GLN A 83 -20.485 10.314 7.200 1.00 0.00 C ATOM 1203 OE1 GLN A 83 -21.423 10.185 6.412 1.00 0.00 O ATOM 1204 NE2 GLN A 83 -20.413 9.642 8.342 1.00 0.00 N ATOM 0 H GLN A 83 -15.972 11.005 5.400 1.00 0.00 H new ATOM 0 HA GLN A 83 -18.008 9.096 6.397 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -18.142 11.862 5.234 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -19.429 10.744 4.828 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -18.606 11.204 7.703 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -19.720 12.288 6.893 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -19.618 9.780 8.965 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -21.153 8.988 8.596 1.00 0.00 H new ATOM 1213 N GLU A 84 -16.962 9.700 3.322 1.00 0.00 N ATOM 1214 CA GLU A 84 -16.845 9.118 1.990 1.00 0.00 C ATOM 1215 C GLU A 84 -15.536 8.347 1.846 1.00 0.00 C ATOM 1216 O GLU A 84 -14.635 8.473 2.675 1.00 0.00 O ATOM 1217 CB GLU A 84 -16.925 10.212 0.922 1.00 0.00 C ATOM 1218 CG GLU A 84 -18.157 11.093 1.045 1.00 0.00 C ATOM 1219 CD GLU A 84 -19.445 10.294 1.079 1.00 0.00 C ATOM 1220 OE1 GLU A 84 -19.649 9.541 2.054 1.00 0.00 O ATOM 1221 OE2 GLU A 84 -20.248 10.421 0.131 1.00 0.00 O ATOM 0 H GLU A 84 -16.495 10.600 3.432 1.00 0.00 H new ATOM 0 HA GLU A 84 -17.673 8.423 1.851 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -16.034 10.837 0.986 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -16.918 9.747 -0.064 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -18.081 11.692 1.953 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -18.187 11.788 0.206 1.00 0.00 H new ATOM 1228 N ARG A 85 -15.440 7.547 0.789 1.00 0.00 N ATOM 1229 CA ARG A 85 -14.244 6.754 0.537 1.00 0.00 C ATOM 1230 C ARG A 85 -14.217 6.253 -0.904 1.00 0.00 C ATOM 1231 O ARG A 85 -15.223 6.310 -1.612 1.00 0.00 O ATOM 1232 CB ARG A 85 -14.179 5.569 1.502 1.00 0.00 C ATOM 1233 CG ARG A 85 -15.048 4.394 1.082 1.00 0.00 C ATOM 1234 CD ARG A 85 -16.451 4.506 1.657 1.00 0.00 C ATOM 1235 NE ARG A 85 -16.442 4.552 3.117 1.00 0.00 N ATOM 1236 CZ ARG A 85 -17.510 4.304 3.867 1.00 0.00 C ATOM 1237 NH1 ARG A 85 -18.666 3.993 3.297 1.00 0.00 N ATOM 1238 NH2 ARG A 85 -17.423 4.367 5.190 1.00 0.00 N ATOM 0 H ARG A 85 -16.177 7.431 0.093 1.00 0.00 H new ATOM 0 HA ARG A 85 -13.375 7.392 0.698 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -13.145 5.234 1.584 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -14.486 5.901 2.494 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -15.102 4.350 -0.006 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -14.590 3.463 1.416 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -16.931 5.404 1.269 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -17.048 3.657 1.325 1.00 0.00 H new ATOM 0 HE ARG A 85 -15.568 4.787 3.586 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -18.737 3.944 2.281 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -19.485 3.803 3.875 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -16.535 4.606 5.632 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -18.244 4.176 5.765 1.00 0.00 H new ATOM 1252 N THR A 86 -13.059 5.761 -1.333 1.00 0.00 N ATOM 1253 CA THR A 86 -12.900 5.251 -2.689 1.00 0.00 C ATOM 1254 C THR A 86 -12.657 3.747 -2.686 1.00 0.00 C ATOM 1255 O THR A 86 -12.705 3.102 -1.638 1.00 0.00 O ATOM 1256 CB THR A 86 -11.735 5.947 -3.418 1.00 0.00 C ATOM 1257 OG1 THR A 86 -11.620 5.442 -4.753 1.00 0.00 O ATOM 1258 CG2 THR A 86 -10.425 5.731 -2.675 1.00 0.00 C ATOM 0 H THR A 86 -12.217 5.705 -0.760 1.00 0.00 H new ATOM 0 HA THR A 86 -13.829 5.465 -3.218 1.00 0.00 H new ATOM 0 HB THR A 86 -11.944 7.016 -3.451 1.00 0.00 H new ATOM 0 HG1 THR A 86 -11.120 6.081 -5.302 1.00 0.00 H new ATOM 0 HG21 THR A 86 -9.617 6.232 -3.209 1.00 0.00 H new ATOM 0 HG22 THR A 86 -10.505 6.143 -1.669 1.00 0.00 H new ATOM 0 HG23 THR A 86 -10.213 4.664 -2.614 1.00 0.00 H new ATOM 1266 N SER A 87 -12.394 3.192 -3.865 1.00 0.00 N ATOM 1267 CA SER A 87 -12.146 1.761 -3.999 1.00 0.00 C ATOM 1268 C SER A 87 -11.425 1.454 -5.308 1.00 0.00 C ATOM 1269 O SER A 87 -11.638 2.125 -6.318 1.00 0.00 O ATOM 1270 CB SER A 87 -13.463 0.985 -3.934 1.00 0.00 C ATOM 1271 OG SER A 87 -14.498 1.682 -4.606 1.00 0.00 O ATOM 0 H SER A 87 -12.347 3.712 -4.741 1.00 0.00 H new ATOM 0 HA SER A 87 -11.508 1.449 -3.172 1.00 0.00 H new ATOM 0 HB2 SER A 87 -13.332 0.001 -4.383 1.00 0.00 H new ATOM 0 HB3 SER A 87 -13.744 0.825 -2.893 1.00 0.00 H new ATOM 0 HG SER A 87 -15.329 1.165 -4.552 1.00 0.00 H new ATOM 1277 N ALA A 88 -10.571 0.436 -5.282 1.00 0.00 N ATOM 1278 CA ALA A 88 -9.820 0.038 -6.466 1.00 0.00 C ATOM 1279 C ALA A 88 -9.392 -1.423 -6.379 1.00 0.00 C ATOM 1280 O ALA A 88 -8.475 -1.767 -5.633 1.00 0.00 O ATOM 1281 CB ALA A 88 -8.606 0.937 -6.647 1.00 0.00 C ATOM 0 H ALA A 88 -10.382 -0.128 -4.453 1.00 0.00 H new ATOM 0 HA ALA A 88 -10.471 0.147 -7.333 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -8.054 0.629 -7.535 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -8.933 1.970 -6.763 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -7.960 0.857 -5.772 1.00 0.00 H new ATOM 1287 N MET A 89 -10.062 -2.277 -7.145 1.00 0.00 N ATOM 1288 CA MET A 89 -9.749 -3.702 -7.154 1.00 0.00 C ATOM 1289 C MET A 89 -8.257 -3.929 -7.377 1.00 0.00 C ATOM 1290 O MET A 89 -7.648 -3.310 -8.250 1.00 0.00 O ATOM 1291 CB MET A 89 -10.553 -4.415 -8.243 1.00 0.00 C ATOM 1292 CG MET A 89 -11.996 -4.692 -7.850 1.00 0.00 C ATOM 1293 SD MET A 89 -12.129 -5.678 -6.346 1.00 0.00 S ATOM 1294 CE MET A 89 -11.133 -7.101 -6.785 1.00 0.00 C ATOM 0 H MET A 89 -10.824 -2.008 -7.767 1.00 0.00 H new ATOM 0 HA MET A 89 -10.020 -4.115 -6.182 1.00 0.00 H new ATOM 0 HB2 MET A 89 -10.542 -3.808 -9.148 1.00 0.00 H new ATOM 0 HB3 MET A 89 -10.064 -5.358 -8.486 1.00 0.00 H new ATOM 0 HG2 MET A 89 -12.518 -3.746 -7.707 1.00 0.00 H new ATOM 0 HG3 MET A 89 -12.497 -5.212 -8.666 1.00 0.00 H new ATOM 0 HE1 MET A 89 -11.542 -7.992 -6.308 1.00 0.00 H new ATOM 0 HE2 MET A 89 -11.142 -7.232 -7.867 1.00 0.00 H new ATOM 0 HE3 MET A 89 -10.108 -6.946 -6.447 1.00 0.00 H new ATOM 1304 N LEU A 90 -7.675 -4.820 -6.582 1.00 0.00 N ATOM 1305 CA LEU A 90 -6.253 -5.129 -6.692 1.00 0.00 C ATOM 1306 C LEU A 90 -6.042 -6.580 -7.116 1.00 0.00 C ATOM 1307 O LEU A 90 -6.413 -7.508 -6.397 1.00 0.00 O ATOM 1308 CB LEU A 90 -5.550 -4.868 -5.359 1.00 0.00 C ATOM 1309 CG LEU A 90 -4.271 -5.668 -5.107 1.00 0.00 C ATOM 1310 CD1 LEU A 90 -3.216 -5.330 -6.149 1.00 0.00 C ATOM 1311 CD2 LEU A 90 -3.743 -5.402 -3.705 1.00 0.00 C ATOM 0 H LEU A 90 -8.165 -5.341 -5.855 1.00 0.00 H new ATOM 0 HA LEU A 90 -5.823 -4.481 -7.456 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -5.308 -3.807 -5.300 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -6.252 -5.080 -4.553 1.00 0.00 H new ATOM 0 HG LEU A 90 -4.507 -6.729 -5.189 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -2.313 -5.909 -5.954 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -3.595 -5.572 -7.142 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -2.983 -4.266 -6.099 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.833 -5.979 -3.543 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.523 -4.340 -3.594 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -4.494 -5.696 -2.972 1.00 0.00 H new ATOM 1323 N THR A 91 -5.442 -6.767 -8.287 1.00 0.00 N ATOM 1324 CA THR A 91 -5.181 -8.104 -8.806 1.00 0.00 C ATOM 1325 C THR A 91 -3.705 -8.463 -8.681 1.00 0.00 C ATOM 1326 O THR A 91 -2.831 -7.693 -9.079 1.00 0.00 O ATOM 1327 CB THR A 91 -5.603 -8.225 -10.283 1.00 0.00 C ATOM 1328 OG1 THR A 91 -7.013 -8.007 -10.409 1.00 0.00 O ATOM 1329 CG2 THR A 91 -5.246 -9.596 -10.837 1.00 0.00 C ATOM 0 H THR A 91 -5.128 -6.010 -8.894 1.00 0.00 H new ATOM 0 HA THR A 91 -5.773 -8.797 -8.208 1.00 0.00 H new ATOM 0 HB THR A 91 -5.066 -7.468 -10.855 1.00 0.00 H new ATOM 0 HG1 THR A 91 -7.273 -8.084 -11.351 1.00 0.00 H new ATOM 0 HG21 THR A 91 -5.553 -9.658 -11.881 1.00 0.00 H new ATOM 0 HG22 THR A 91 -4.169 -9.748 -10.766 1.00 0.00 H new ATOM 0 HG23 THR A 91 -5.759 -10.366 -10.261 1.00 0.00 H new ATOM 1337 N VAL A 92 -3.433 -9.640 -8.125 1.00 0.00 N ATOM 1338 CA VAL A 92 -2.061 -10.103 -7.948 1.00 0.00 C ATOM 1339 C VAL A 92 -1.730 -11.226 -8.925 1.00 0.00 C ATOM 1340 O VAL A 92 -1.932 -12.403 -8.625 1.00 0.00 O ATOM 1341 CB VAL A 92 -1.817 -10.599 -6.511 1.00 0.00 C ATOM 1342 CG1 VAL A 92 -0.382 -11.074 -6.346 1.00 0.00 C ATOM 1343 CG2 VAL A 92 -2.144 -9.504 -5.507 1.00 0.00 C ATOM 0 H VAL A 92 -4.144 -10.290 -7.790 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.411 -9.250 -8.145 1.00 0.00 H new ATOM 0 HB VAL A 92 -2.478 -11.444 -6.320 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -0.229 -11.421 -5.324 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -0.187 -11.892 -7.040 1.00 0.00 H new ATOM 0 HG13 VAL A 92 0.300 -10.250 -6.556 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -1.966 -9.872 -4.497 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.510 -8.637 -5.695 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.191 -9.217 -5.609 1.00 0.00 H new ATOM 1353 N ARG A 93 -1.221 -10.854 -10.095 1.00 0.00 N ATOM 1354 CA ARG A 93 -0.862 -11.830 -11.117 1.00 0.00 C ATOM 1355 C ARG A 93 0.198 -12.797 -10.597 1.00 0.00 C ATOM 1356 O ARG A 93 1.362 -12.430 -10.437 1.00 0.00 O ATOM 1357 CB ARG A 93 -0.349 -11.121 -12.372 1.00 0.00 C ATOM 1358 CG ARG A 93 -1.372 -10.193 -13.008 1.00 0.00 C ATOM 1359 CD ARG A 93 -2.525 -10.972 -13.621 1.00 0.00 C ATOM 1360 NE ARG A 93 -3.105 -10.279 -14.768 1.00 0.00 N ATOM 1361 CZ ARG A 93 -2.459 -10.081 -15.912 1.00 0.00 C ATOM 1362 NH1 ARG A 93 -1.217 -10.523 -16.060 1.00 0.00 N ATOM 1363 NH2 ARG A 93 -3.054 -9.441 -16.910 1.00 0.00 N ATOM 0 H ARG A 93 -1.048 -9.884 -10.359 1.00 0.00 H new ATOM 0 HA ARG A 93 -1.756 -12.400 -11.370 1.00 0.00 H new ATOM 0 HB2 ARG A 93 0.541 -10.546 -12.116 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -0.046 -11.870 -13.104 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -1.756 -9.503 -12.256 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -0.889 -9.590 -13.777 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -2.173 -11.956 -13.932 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -3.295 -11.133 -12.867 1.00 0.00 H new ATOM 0 HE ARG A 93 -4.059 -9.927 -14.686 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -0.756 -11.016 -15.295 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -0.723 -10.370 -16.939 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -4.009 -9.100 -16.800 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -2.557 -9.290 -17.788 1.00 0.00 H new ATOM 1377 N ALA A 94 -0.214 -14.033 -10.336 1.00 0.00 N ATOM 1378 CA ALA A 94 0.700 -15.053 -9.836 1.00 0.00 C ATOM 1379 C ALA A 94 1.900 -15.217 -10.763 1.00 0.00 C ATOM 1380 O ALA A 94 1.743 -15.393 -11.972 1.00 0.00 O ATOM 1381 CB ALA A 94 -0.028 -16.379 -9.671 1.00 0.00 C ATOM 0 H ALA A 94 -1.174 -14.352 -10.462 1.00 0.00 H new ATOM 0 HA ALA A 94 1.068 -14.730 -8.862 1.00 0.00 H new ATOM 0 HB1 ALA A 94 0.667 -17.131 -9.297 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -0.848 -16.258 -8.963 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -0.425 -16.699 -10.635 1.00 0.00 H new ATOM 1387 N LEU A 95 3.097 -15.158 -10.190 1.00 0.00 N ATOM 1388 CA LEU A 95 4.324 -15.300 -10.966 1.00 0.00 C ATOM 1389 C LEU A 95 4.200 -16.433 -11.979 1.00 0.00 C ATOM 1390 O LEU A 95 3.536 -17.442 -11.741 1.00 0.00 O ATOM 1391 CB LEU A 95 5.511 -15.559 -10.037 1.00 0.00 C ATOM 1392 CG LEU A 95 5.884 -14.418 -9.090 1.00 0.00 C ATOM 1393 CD1 LEU A 95 6.639 -14.951 -7.882 1.00 0.00 C ATOM 1394 CD2 LEU A 95 6.712 -13.369 -9.818 1.00 0.00 C ATOM 0 H LEU A 95 3.244 -15.013 -9.191 1.00 0.00 H new ATOM 0 HA LEU A 95 4.491 -14.369 -11.508 1.00 0.00 H new ATOM 0 HB2 LEU A 95 5.292 -16.444 -9.439 1.00 0.00 H new ATOM 0 HB3 LEU A 95 6.381 -15.795 -10.649 1.00 0.00 H new ATOM 0 HG LEU A 95 4.965 -13.948 -8.740 1.00 0.00 H new ATOM 0 HD11 LEU A 95 6.896 -14.124 -7.220 1.00 0.00 H new ATOM 0 HD12 LEU A 95 6.012 -15.664 -7.346 1.00 0.00 H new ATOM 0 HD13 LEU A 95 7.551 -15.448 -8.213 1.00 0.00 H new ATOM 0 HD21 LEU A 95 6.968 -12.565 -9.128 1.00 0.00 H new ATOM 0 HD22 LEU A 95 7.626 -13.826 -10.198 1.00 0.00 H new ATOM 0 HD23 LEU A 95 6.136 -12.964 -10.650 1.00 0.00 H new